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Professor Graeme Murch

Professor

School of Engineering (Mechanical Engineering)

Career Summary

Biography

I work in a research area that is now popularly known as 'computational materials science'. Inspired by others who were developing the first simulation techniques for studying phase transitions and thermodynamics in solids, during my PhD candidature (Flinders 1970-1973) I initiated the use of the Monte Carlo method for calculating self-diffusion kinetics properties of solids. In the years at ANSTO (1973-1975), Argonne National Laboratory (1975-1985), ICI-Australia (1985-1986) and the University of Newcastle (1986-present) I have developed a very large number of Monte Carlo-based techniques to address a very wide range of complex diffusion problems occurring in engineering materials. Much of this work has been driven because of the absence of analytical theory. These simulations have frequently shaped contemporary thinking and have provided valuable bench-marks for the testing of analytical theories, many of which I have developed too (see below). I am acknowledged as the first to use Monte Carlo methods for simulating tracer correlation functions, impurity diffusion, ionic conductivity, interdiffusion, diffusion in the presence of traps, solvent/solute diffusion enhancement, the vacancy-wind effect (and its visualization), isotope effects, segregation, dislocation pipe diffusion, grain boundary/interphase diffusion and diffusion-limited evaporation. I was also the first to develop Monte Carlo-based methods for calculating incoherent phase equilibria and chemical potentials in solids. I also initiated and developed hybrid simulation strategies wherein Monte Carlo methods are combined in different ways with molecular dynamics or lattice relaxation methods. This has greatly extended the possibilities of computer simulation. Recently, I have initiated and developed a multi-scale modelling method (Lattice Monte Carlo). This unusually powerful method enables complex macroscopic diffusion problems to be mapped onto a very fine grained grid that is then explored by virtual entities representing spatially and temporally different diffusivities. This method shows far greater flexibility in diffusion applications than non-linear finite element methods. Applications have been to grain boundary diffusion and especially to thermal transport where the exploring entities are virtual heat particles that can capture changes in density, specific heat and thermal conductivity. Examples include transient heat into moving boundary 'phase-change' energy storage sinks and heat conduction in actual cellular metals by making use of their CT images. The method has also been successfully extended to coupled mass and thermal diffusion (Soret and Dufour effects).

Self-assembly by diffusion in nano-level materials is especially significant because of the very small diffusion distances and the dominating role of the surface energy. Much of diffusion theory developed for bulk materials is no longer directly relevant at this scale. I have a high profile in this area having developing new strategies using Monte Carlo, molecular dynamics and ab initio methods with much of the interest on the formation and stability of hollow nanostructures and interdiffusion and reactions in core-shell bi-metallic structures including high speed combustion synthesis. I have also developed a considerable body of analytical theory in many areas of diffusion kinetics. Some highlights of this work are the first derivations of the exact Nernst-Einstein and near-exact Nernst-Planck Equations, the description of correlation and vacancy-wind effects in intermetallics, the use of a 'sum-rules' relating phenomenological transport coefficients which greatly simplifies complex diffusion problems involving segregation and interdiffusion, and the development of robust inverse procedures to extract fundamental information directly from the extensive experimental chemical diffusion data available.

Research Expertise
I work in the area of computational and theoretical materials science with strong interests and achievements in all aspects of mass and thermal transport in advanced engineering materials.

Teaching Expertise
My teaching experience lies principally in materials science and engineering. I have taught courses in elementary and advanced materials science/engineering as well as materials selection for mechanical engineering design and occupational health and safety issues associated with materials.

Administrative Expertise
I have served on a number of university level committees (Research Higher Degrees, Research Management, Scholarships/Prizes, Promotions) as well as serving as the Assistant Dean (Engineering) of Research and Research Higher degrees for six years. I have also served two years as the Head of the Discipline of Mechanical Engineering. I have also served on 30 international conference advisory boards and have organized twelve international conferences/symposia. I am the Editor of four international journals.

Collaborations
My research interests are in computational engineering with a specialty on all aspects of mass and thermal transport and associated phenomena in engineering materials. My interests cover mass diffusion at the nanoscale right through to thermal diffusion in macro cellular metals. I study the following atomic transport processes: tracer diffusion, interdiffusion, impurity and solute diffusion, grain boundary diffusion, dislocation pipe diffusion, ionic conductivity and segregation in many material groups including fast ion conductors, engineering ceramics (including nuclear fuels), multicomponent alloys, intermetallics, nano-materials and heterogeneous materials. I am the first to perform computer simulations for many atomic transport processes. I have developed a large number of external collaborations. Active ones at present (2014) include Prof. Andreas Oechsner (Griffith University), Prof. Janusz Nowotny (University of Western Sydney), Prof. Alan Allnatt (University of Western Ontario), Prof. Yongho Sohn (University of Central Florida), Dr Nagraj Kulkarni (Oak Ridge National Laboratory), Prof. Helmut Mehrer (University of Muenster), Prof. Rafal Kozubski (Jagellonian University), Prof. Zi-Kui Liu (Pennsylvania State University)..


Qualifications

  • Doctor of Engineering, University of Newcastle
  • Bachelor of Science, Flinders University
  • Doctor of Philosophy, Flinders University
  • Doctor of Science, Flinders University

Keywords

  • Materials Science
  • Mechanical Engineering Computations
  • Metallurgy

Languages

  • English (Fluent)

Fields of Research

Code Description Percentage
020499 Condensed Matter Physics not elsewhere classified 20
091399 Mechanical Engineering not elsewhere classified 40
030799 Theoretical and Computational Chemistry not elsewhere classified 40

Professional Experience

UON Appointment

Title Organisation / Department
Professor University of Newcastle
School of Engineering
Australia

Academic appointment

Dates Title Organisation / Department
1/01/2014 - 31/12/2014 Conference Chair Tenth International Conference on Diffusion in Solids and Liquids, Paris, France
France
1/01/2013 - 31/12/2013 Conference Chair Ninth International Conference on Diffusion in Solids and Liquids, Madrid, Spain
Spain
1/01/2012 - 31/12/2012 Conference Chair Eighth International Conference on Diffusion in Solids and Liquids, Istanbul, Turkey
Turkey
1/01/2012 -  Editorial Board International Journal of Biomaterials Research and Engineering
Australia
1/01/2012 -  Editorial Board International Journal of Nanotechnology and Molecular Computation
Australia
1/01/2011 - 31/12/2011 Conference Chair Seventh International Conference on Diffusion in Solids and Liquids, Algarve, Portugal
Portugal
1/01/2011 -  Editorial Board Archives of Metallurgy and Materials
Australia
1/01/2011 - 1/12/2011 Fellow Technion Society of Australia
Australia
1/01/2011 -  Editorial Board - Computation Computation
Australia
1/01/2010 -  Editorial Board Journal of Nano Research
Australia
1/01/2010 - 31/12/2010 Conference Chair Sixth International Conference on Diffusion in Solids and Liquids, Paris, France
France
1/01/2009 - 31/12/2009 Conference Chair Fifth International Conference on Diffusion in Solids and Liquids, Rome, Italy
Italy
1/01/2008 - 31/12/2008 Conference Chair Fourth International Conference on Diffusion in Solids and Liquids, Barcelona, Spain
Spain
1/01/2007 - 31/12/2007 Conference Chair Third International Conference on Diffusion in Solids and Liquids, Algarve, Portugal
Portugal
1/01/2005 -  Editorial Board Diffusion Fundamentals
Australia
1/01/2000 -  Editorial Board Transport and Diffusion in Matter
Australia
1/11/1993 -  Personal Chair in Materials Science

Mechanical Engineering and Mechatronics

University of Newcastle
School of Engineering and Built Environments
Australia
1/01/1992 -  Membership Engineers Australia
1/01/1988 - 1/10/1993 Associate professor University of Newcastle
School of Engineering and Built Environments
Australia
1/06/1986 - 1/12/1987 Senior lecturer University of Newcastle
Engineering & Built Environment
Australia
1/01/1984 -  Editorial Board Solid State Phenomena
Australia
1/01/1980 - 31/12/1990 Editorial Board Atomic Transport Activity of the ASM
Australia
1/05/1973 - 1/05/1975 AINSE Fellow Flinders University
School of Physical Sciences
Australia
1/05/1973 - 1/05/1975 Fellow AINSE (Australian Institute of Nuclear Science & Engineering)

Professional appointment

Dates Title Organisation / Department
1/04/1985 - 1/06/1986 Principal Research Scientist ICI
Research Laboratories
Australia
1/05/1975 - 1/04/1985 Staff scientist Argonne National Laboratories, Chicago
Materials Science and Technology Division
United States

Awards

Distinction

Year Award
2013 Editor in Chief
Trans Tech Publications Inc.
2011 Frank-Theeman Award
Technion - Israel Institute of Technology
2009 Citations
Thomson Reuters
1984 Founder and Editor-in-Chief of the international journal: Materials Science Forum
Unknown
1982 Editor of the international journal: Solid State Phenomena
Unknown

Honours

Year Award
2005 Excellence in Engineering Education Award
Unknown

Recognition

Year Award
2011 Defect and Diffusion Forum
Trans Tech Publications Inc.

Research Award

Year Award
2008 LeClaire-Manning Award
Unknown
2007 Einstein-Smoluchowski Award
Unknown
1991 Doctor of Engineering
University of Newcastle
1982 Doctor of Science
Flinders University

Invitations

Keynote Speaker

Year Title / Rationale
1979 60 plenary and keynote lectures at major international conferences
Organisation: Not applicable Description: A total of 60 plenary and keynote lectures presented at major international conferences dating from 1979.
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Publications

For publications that are currently unpublished or in-press, details are shown in italics.


Book (18 outputs)

Year Citation Altmetrics Link
2014 Murch G, Ochsner A, Belova I, Diffusion in Advanced Materials, Trans Tech, Switzerland, 220 (2014) [A3]
DOI 10.4028/www.scientific.net/DF.1
Co-authors Irina Belova
2013 Murch G, Belova I, Ochsner A, Heat Transfer Processes in Engineering Materials, Trans Tech Publication, Zurich, 228 (2013) [A3]
Co-authors Irina Belova
2011 Ochsner A, Murch GE, Heat Transfer in Multi-Phase Materials, Springer, Heidelberg, 460 (2011) [A3]
2010 Ochsner A, Murch G, Shokufar A, Delgado JMPQ, Diffusion in Solids and Liquids V, Trans Tech Publications Inc, Zurich, Switzerland, 1600 (2010) [E4]
2010 Ochsner A, Murch G, Shokufar A, Delgado JMPQ, Diffusion in Solids and Liquids V, Trans Tech Publications Inc, Zurich, Switzerland, 1600 (2010) [E4]
2009 Shokuhfar A, Murch GE, Shokuhfar A, Diffusion in Solids and Liquids IV, Trans Tech Publication, Zurich, 724 (2009) [E4]
2009 Shokuhfar A, Murch GE, Shokuhfar A, Diffusion in Solids and Liquids IV, Trans Tech Publication, Zurich, 724 (2009) [E4]
2008 Öchsner A, Murch GE, Diffusion in Solids and Liquids III, TTP, Zurich, 837 (2008) [E4]
2008 Ochsner A, Murch GE, Lemos MJSD, Cellular and Porous Materials: Thermal Properties Simulation and Prediction, Wiley-VCH, Weinham, Germany, 442 (2008) [A3]
Citations Scopus - 19
2008 Öchsner A, Murch GE, Diffusion in Solids and Liquids III, TTP, Zurich, 837 (2008) [E4]
2008 Beke DL, Diffusion and Diffusional Phase Transformation in Alloys, Trans Tech Publication, Zurch, 230 (2008) [E4]
2008 Tikare V, Theory, Modeling and Numerical Simulation of Multi-physics Materials Behavior, Trans Tech Publications, Zurich, 168 (2008) [E4]
2007 Kozubski R, Murch GE, Zieba P, Multiscale Kinetic Modelling of Materials, Trans Tech Publication, Zurich, 168 (2007)
2003 Belova IV, Murch GE, Defect and diffusion forum (vol 210, pg 55, 2002), TRANS TECH PUBLICATIONS LTD, 1 (2003)
1984 Murch GE, Birnbaum HK, AIME MSO, Activity ASFMAT, Nontraditional methods in diffusion, Tms, Warrendale, 311 (1984)
1984 Murch GE, DIFFUSION IN CRYSTALLINE SOLIDS, Academic Press, orlando, 482 (1984)
1984 Murch GE, Birnbaum HK, AIME MSO, Activity ASFMAT, Nontraditional methods in diffusion, Tms, Warrendale, 311 (1984)
1984 Murch GE, DIFFUSION IN CRYSTALLINE SOLIDS, Academic Press, orlando, 482 (1984)
Show 15 more books

Chapter (11 outputs)

Year Citation Altmetrics Link
2013 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Computer Simulation of Diffusion and Reaction in Metallic Nanoparticles', New Frontiers of Nanoparticles and Nanocomposite Materials, Springer, New York 31-59 (2013) [B1]
DOI 10.1007/8611_2011_60
Co-authors Elena Levchenko, Irina Belova, Alexander Evteev
2011 Fiedler T, Belova IV, Ochsner A, Murch GE, 'Lattice Monte Carlo analysis of thermal diffusion in multi-phase materials', Heat Transfer in Multi-Phase Materials, Springer, Heidelberg 275-300 (2011) [B1]
Citations Scopus - 1
Co-authors Thomas Fiedler, Irina Belova
2010 Fiedler T, Belova IV, Ochsner A, Murch GE, 'A review on thermal Lattice Monte Carlo analysis', Current Trends in Chemical Engineering, Studium Press, New Delhi, India 105-130 (2010) [B1]
Co-authors Thomas Fiedler, Irina Belova
2008 Öchsner A, Murch GE, de Lemos MJS, 'Preface', , John Wiley and Sons (2008) [B2]
DOI 10.1002/9783527621408
2008 Belova IV, Murch GE, 'Thermal properties of composite materials and porous media: Lattice-based Monte Carlo approaches', Cellular and Porous Materials: Thermal Properties Simulation and Prediction, Wiley-VCH, Weinheim, Germany 73-95 (2008) [B1]
Citations Scopus - 1
Co-authors Irina Belova
2001 Murch GE, 'Diffusion Kinetics in Solids', Phase Transformations in Materials, Weinheim, New York 171-238 (2001) [B2]
1999 Murch GE, Bruff CM, 'Chemical diffusion in bulk inhomogeneous non-metallic compounds', Diffusion in semiconductors and nonmetallic solids, Springer-Verlag, Berlin 10:1-10:62 (1999) [B1]
1998 Murch GE, Bruff CM, 'Chemical diffusion in bulk inhomogeneous semiconductors', Diffusion in Semiconductors and Non-Metallic Solids, Springer-Verlag, Berlin 5.1-5.25 (1998) [B1]
1985 Murch GE, 'Tracer Diffusion in an Ordered Alloy: Application of the Path Probability and Monte Carlo Methods', 67-95 (1985) [B1]
1984 Murch GE, 'Simulation of Diffusion Kinetics with the Monte Carlo Method', , Academic Press 379-427 (1984) [B1]
1979 Murch GE, 'Photoelectron Spectroscopy of 4f, 5f and 2p Orbital Electrons and the Thermochemistry of Uranium Oxides', , IAEA, Vienna, 219-231 (1979) [B1]
Show 8 more chapters

Journal article (400 outputs)

Year Citation Altmetrics Link
2015 Evteev AV, Levchenko EV, Momenzadeh L, Sohn Y, Belova IV, Murch GE, 'Molecular dynamics study of phonon-mediated thermal transport in a Ni50Al50 melt: case analysis of the influence of the process on the kinetics of solidification', PHILOSOPHICAL MAGAZINE, 95 90-111 (2015)
DOI 10.1080/14786435.2014.984006
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2015 Taherishargh M, Sulong MA, Belova IV, Murch GE, Fiedler T, 'On the particle size effect in expanded perlite aluminium syntactic foam', Materials and Design, 66 294-303 (2015)

Packed beds of expanded perlite (EP) particles with three different size ranges (1-1.4, 2-2.8, and 4-5.6. mm) have been infiltrated with molten Al to produce EP/A356 Al syntactic ... [more]

Packed beds of expanded perlite (EP) particles with three different size ranges (1-1.4, 2-2.8, and 4-5.6. mm) have been infiltrated with molten Al to produce EP/A356 Al syntactic foam. A T6 heat treatment was applied to the foams. The effects of EP particle size on microstructural, geometrical, and mechanical properties of the foams were investigated. The EP particle size determines the number of cells across the sample diameter (7-25). It also influences the microstructural characteristics of the cell-wall alloy and the homogeneity of the cell-wall geometry. Enhanced microstructural characteristics and a greater geometrical homogeneity of the cell-wall in the case of smaller EP particles result in superior mechanical properties. The compressive deformation becomes more uniform by decreasing the EP particle size resulting in smoother and steeper stress-strain curves. As a result, these foams exhibit higher plateau stresses and improved energy absorption. The number of cells across the sample diameter does not have a significant effect on the mechanical properties of the samples considered.

DOI 10.1016/j.matdes.2014.10.073
Citations Scopus - 1
Co-authors Irina Belova, Thomas Fiedler
2015 Evteev AV, Levchenko EV, Momenzadeh L, Sohn Y, Belova IV, Murch GE, 'Molecular dynamics study of phonon-mediated thermal transport in a Ni 50Al 50 melt: Case analysis of the influence of the process on the kinetics of solidification', Philosophical Magazine, 95 90-111 (2015)

The phonon-mediated contribution to the thermal transport properties of liquid NiAl alloy is investigated in detail over a wide temperature range. The calculations are performed i... [more]

The phonon-mediated contribution to the thermal transport properties of liquid NiAl alloy is investigated in detail over a wide temperature range. The calculations are performed in the framework of equilibrium molecular dynamics making use of the Green-Kubo formalism and one of the most reliable embedded-atom method potentials for the intermetallic alloy. The phonon-mediated contribution to the thermal conductivity of the liquid alloy is calculated at equilibrium as well as for the steady state. The relative magnitude of the thermal conductivity decrease induced by the transition to the steady state is estimated to be less than 2% below 2000 K and less than 1% at 3000 and 4000 K. It is also found that the phonon-mediated contribution to the thermal conductivity of the liquid alloy can be accurately estimated (well within 1%) on the basis of an approximation which invokes the straightforwardly accessible microscopic expression for the total heat flux without demanding calculations of the partial enthalpies needed for the precise evolution of the reduced heat flux (pure heat conduction). On the basis of these calculations, the correspondence between the experimentally observed and modelled kinetics of solidification due to a difference in thermal conductivity is discussed.

DOI 10.1080/14786435.2014.984006
Co-authors Elena Levchenko, Alexander Evteev, Irina Belova
2015 Taherishargh M, Belova IV, Murch GE, Fiedler T, 'Pumice/aluminium syntactic foam', Materials Science and Engineering A, 635 102-108 (2015)

A novel filler material is introduced to produce high strength metal-matrix syntactic foam. Packed beds of pumice particles, a low-cost natural porous volcanic glass, with the siz... [more]

A novel filler material is introduced to produce high strength metal-matrix syntactic foam. Packed beds of pumice particles, a low-cost natural porous volcanic glass, with the size range of 2.8-4mm were infiltrated with molten aluminium alloy. The resulting syntactic foams were subjected to microstructural observations and chemical analysis. Furthermore, quasi-static compression testing was applied on heat treated samples. The material strength and the deformation mechanism under compressive loading of the pumice particles and foams were investigated. The results indicate that there is a limited chemical reaction between the particles and matrix. The pumice particles considerably enhance the strength of the foam and result in an average plateau stress of 68.25MPa and specific energy absorption of 24.8MJ/m3. Pumice particles show higher strength in the direction of tubular pores. The mechanical anisotropy of pumice particles is likely to cause a slight variation in the directional properties of the foams.

DOI 10.1016/j.msea.2015.03.061
Co-authors Thomas Fiedler
2015 Boccardi E, Belova IV, Murch GE, Boccaccini AR, Fiedler T, 'Oxygen diffusion in marine-derived tissue engineering scaffolds', Journal of Materials Science: Materials in Medicine, 26 (2015)

This paper addresses the computation of the effective diffusivity in new bioactive glass (BG) based tissue engineering scaffolds. High diffusivities facilitate the supply of oxyge... [more]

This paper addresses the computation of the effective diffusivity in new bioactive glass (BG) based tissue engineering scaffolds. High diffusivities facilitate the supply of oxygen and nutrients to grown tissue as well as the rapid disposal of toxic waste products. The present study addresses required novel types of bone tissue engineering BG scaffolds that are derived from natural marine sponges. Using the foam replication method, the scaffold geometry is defined by the porous structure of Spongia Agaricina and Spongia Lamella. These sponges present the advantage of attaining scaffolds with higher mechanical properties (2¿4¿MPa) due to a decrease in porosity (68¿76¿%). The effective diffusivities of these structures are compared with that of conventional scaffolds based on polyurethane (PU) foam templates, characterised by high porosity (>90¿%) and lower mechanical properties (>0.05¿MPa). Both the spatial and directional variations of diffusivity are investigated. Furthermore, the effect of scaffold decomposition due to immersion in simulated body fluid (SBF) on the diffusivity is addressed. Scaffolds based on natural marine sponges are characterised by lower oxygen diffusivity due to their lower porosity compared with the PU replica foams, which should enable the best oxygen supply to newly formed bone according the numerical results. The oxygen diffusivity of these new BG scaffolds increases over time as a consequence of the degradation in SBF.

DOI 10.1007/s10856-015-5531-2
Co-authors Thomas Fiedler
2015 Ahmed T, Belova IV, Evteev AV, Levchenko EV, Murch GE, 'Comparison of the Sauer-Freise and Hall Methods for Obtaining Interdiffusion Coefficients in Binary Alloys', Journal of Phase Equilibria and Diffusion, (2015)

In the present paper (1) the Hall method (HM) (specifically designed for determining the interdiffusion coefficient at the low and high composition limits of the corresponding int... [more]

In the present paper (1) the Hall method (HM) (specifically designed for determining the interdiffusion coefficient at the low and high composition limits of the corresponding interdiffusion composition profile) is further developed in order to be applied to the whole composition profile resulting in the Extended Hall method (EHM); (2) A comparative study of the HM, EHM, Boltzmann-Matano (BM) and Sauer and Freise (SF) methods is performed using composition profiles generated by computer simulation. The results clearly indicate that the HM/EHM technique is only applicable when the interdiffusion coefficient is constant (i.e. independent of composition) or almost constant at the low composition regions. In all other cases, the BM and SF methods give the best agreement with the input interdiffusion function even at the ends of the composition profiles.

DOI 10.1007/s11669-015-0392-4
Co-authors Elena Levchenko
2014 Kulkarni NS, Bruce Warmack RJ, Radhakrishnan B, Hunter JL, Sohn Y, Coffey KR, et al., 'Overview of SIMS-Based Experimental Studies of Tracer Diffusion in Solids and Application to Mg Self-Diffusion', Journal of Phase Equilibria and Diffusion, 35 762-778 (2014) [C1]

Tracer diffusivities provide the most fundamental information on diffusion in materials, and are the foundation of robust diffusion databases that enable the use of the Onsager ph... [more]

Tracer diffusivities provide the most fundamental information on diffusion in materials, and are the foundation of robust diffusion databases that enable the use of the Onsager phenomenological formalism with no major assumptions. Compared to traditional radiotracer techniques that utilize radioactive isotopes, the secondary ion mass spectrometry (SIMS)-based thin-film technique for tracer diffusion is based on the use of enriched stable isotopes that can be accurately profiled using SIMS. An overview of the thin-film method for tracer diffusion studies using stable isotopes is provided. Experimental procedures and techniques for the measurement of tracer diffusion coefficients are presented for pure magnesium, which presents some unique challenges due to the ease of oxidation. The development of a modified Shewmon-Rhines diffusion capsule for annealing Mg and an ultra-high vacuum system for sputter deposition of Mg isotopes are discussed. Optimized conditions for accurate SIMS depth profiling in polycrystalline Mg are provided. An automated procedure for correction of heat-up and cool-down times during tracer diffusion annealing is discussed. The non-linear fitting of a SIMS depth profile data using the thin-film Gaussian solution to obtain the tracer diffusivity along with the background tracer concentration and tracer film thickness is demonstrated. An Arrhenius fit of the Mg self-diffusion data obtained using the low-temperature SIMS measurements from this study and the high-temperature radiotracer measurements of Shewmon and Rhines (Trans. AIME 250:1021-1025, 1954) was found to be a good representation of both types of diffusion data over a broad range of temperatures between 250 and 627¿°C (523 and 900¿K).

DOI 10.1007/s11669-014-0344-4
Citations Web of Science - 1
Co-authors Irina Belova
2014 Fiedler T, Sulong MA, Vesenjak M, Higa Y, Belova IV, Oechsner A, Murch GE, 'Determination of the thermal conductivity of periodic APM foam models', INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, 73 826-833 (2014) [C1]
DOI 10.1016/j.ijheatmasstransfer.2014.02.056
Citations Scopus - 3Web of Science - 3
Co-authors Irina Belova, Thomas Fiedler
2014 Allnatt AR, Belova IV, Murch GE, 'Diffusion kinetics in dilute binary alloys with the h.c.p. crystal structure', Philosophical Magazine, 94 2487-2504 (2014) [C1]

In this paper, an extended version of the matrix method is derived in order to address diffusion kinetics for the full anisotropic three-dimensional h.c.p. structure. It is shown ... [more]

In this paper, an extended version of the matrix method is derived in order to address diffusion kinetics for the full anisotropic three-dimensional h.c.p. structure. It is shown that the diffusion anisotropy can be properly addressed with a model of 13 atom-vacancy frequencies which is an extended version of the well-known 5-frequency model for the f.c.c. lattice. Both tracer and phenomenological diffusion coefficients are calculated using this new approach. Extended Monte Carlo simulations are performed in order to cross-check some of the results of the matrix method. Applications of the proposed model to experimental diffusion data are discussed. © 2014 Taylor & Francis.

DOI 10.1080/14786435.2014.916426
Citations Scopus - 2Web of Science - 2
Co-authors Irina Belova
2014 Fiedler T, Fisher M, Roether JA, Belova IV, Samtleben T, Bernthaler T, et al., 'Strengthening mechanism of PDLLA coated titania foam', Mechanics of Materials, 69 35-40 (2014) [C1]

This paper addresses the numerical analysis of the mechanical properties of titania foam intended for use in tissue engineering scaffolds. Special focus is given to a PDLLA coatin... [more]

This paper addresses the numerical analysis of the mechanical properties of titania foam intended for use in tissue engineering scaffolds. Special focus is given to a PDLLA coating that has been shown to distinctly increase the mechanical strength of the scaffold. Micro-computed tomography (µCT) data of a real scaffold are obtained and converted into numerical calculation models. Finite element simulations are performed alternately with and without the PDLLA coating. In addition, a strut model containing a single micro-crack is analysed. Numerical results indicate that filling the crack with PDLLA significantly increases the strength of the strut by attenuating stress concentrations. © 2013 Elsevier Ltd. All rights reserved.

DOI 10.1016/j.mechmat.2013.09.007
Citations Scopus - 1Web of Science - 1
Co-authors Thomas Fiedler, Irina Belova
2014 Taherishargh M, Belova IV, Murch GE, Fiedler T, 'On the mechanical properties of heat-treated expanded perlite-aluminium syntactic foam', MATERIALS & DESIGN, 63 375-383 (2014) [C1]
DOI 10.1016/j.matdes.2014.06.019
Citations Scopus - 4Web of Science - 4
Co-authors Thomas Fiedler, Irina Belova
2014 Nowotny J, Bak T, Chu D, Fiechter S, Murch GE, Veziroglu TN, 'Sustainable practices: Solar hydrogen fuel and education program on sustainable energy systems', International Journal of Hydrogen Energy, (2014) [C1]

Owing to the increasingly apparent climate change, it becomes imperative to use renewable energy in the production of fuel that is environmentally friendly. At the same time, ther... [more]

Owing to the increasingly apparent climate change, it becomes imperative to use renewable energy in the production of fuel that is environmentally friendly. At the same time, there is a need to introduce the related education programs to develop the skills of the technical staff working at the front line of rapidly developing renewable energy technologies. Hydrogen is expected to be the fuel in the near future. At present hydrogen fuel is mainly produced using steam reforming of methane (SRM). However, hydrogen generation using the SRM results in emission of greenhouse gases and climate change. Therefore, there is a common consensus that the SRM technology will soon be challenged by the technologies of solar hydrogen generation using photoelectrochemical cells (PEC). However, the PEC technology will be the ultimate winner only if the effects related to climate change and pollution are fully monetised. While such radical development is difficult for implementation due to economic reasons, the increasingly urgent need to reduce climate change dictates the need to increase competitiveness of the PEC method. This imposes the need to increase the efficiency of the solar energy conversion and reduce the costs of the related raw materials and devices. The development of renewable energy-related technologies, such as those related to solar hydrogen, imposes the need to introduce education programs in order to train technical and research staff working at the front line of rapidly developing sustainable energy systems. The present work considers such programs addressing a range of energy-related topics, such as hydrogen energy, electrochemical energy, photoelectrochemical energy and alternative renewable energy as well as industrial ecology and energy policy. It is concluded that implementation of these programs is urgently needed in order to protect the environment through sustainable development. © 2014 Hydrogen Energy Publications, LLC.

DOI 10.1016/j.ijhydene.2013.12.114
Citations Scopus - 4Web of Science - 4
2014 Sulong MA, Vesenjak M, Belova IV, Murch GE, Fiedler T, 'Compressive properties of Advanced Pore Morphology (APM) foam elements', MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 607 498-504 (2014) [C1]
DOI 10.1016/j.msea.2014.04.037
Citations Scopus - 3Web of Science - 3
Co-authors Thomas Fiedler, Irina Belova
2014 Taherishargh M, Belova IV, Murch GE, Fiedler T, 'Low-density expanded perlite-aluminium syntactic foam', Materials Science and Engineering A, 604 127-134 (2014) [C1]

This paper addresses an innovative syntactic foam (SF) formed by counter-gravity infiltration of a packed bed of low-cost expanded perlite (EP) particles with molten A356 aluminiu... [more]

This paper addresses an innovative syntactic foam (SF) formed by counter-gravity infiltration of a packed bed of low-cost expanded perlite (EP) particles with molten A356 aluminium. The uniform distribution of EP particles in foams causes an even density throughout the height. Due to the low density (~0.18g/cm3) of EP, the average density of these foams is only 1.05g/cm3 which is considerably lower than most studied SFs. Owing to the high porosity of the filler material (~94%), the total porosity of the new foam reaches 61%. Microstructural observations reveal no sign of damage or unintended EP particle infiltration. EP shows a good wettability whilst essentially no reaction occurs at the EP-metal interface. Under compression, EP/A356 syntactic foam shows stress-strain curves consisting of elastic, plateau and densification regions. On account of its consistent plateau stress (average value 30.8MPa), large densification strain (almost 60%), and high energy absorption efficiency (88%) EP/A356 syntactic foam is an effective energy absorber. © 2014 Elsevier B.V.

DOI 10.1016/j.msea.2014.03.003
Citations Scopus - 4Web of Science - 5
Co-authors Thomas Fiedler, Irina Belova
2014 Fiedler T, Sulong MA, Mathier V, Belova IV, Younger C, Murch GE, 'Mechanical properties of aluminium foam derived from infiltration casting of salt dough', Computational Materials Science, 81 246-248 (2014) [C1]

This paper addresses the mechanical properties of Corevo® aluminium foam. The effective Young's modulus, Poisson's ratio, and material yield stress are determined. To this end, s... [more]

This paper addresses the mechanical properties of Corevo® aluminium foam. The effective Young's modulus, Poisson's ratio, and material yield stress are determined. To this end, samples are tested using uni-axial compressive testing. In addition, micro-computed tomography data of the complex material geometry are obtained and converted into finite element calculation models. The numerical analysis further enables the testing of mechanical material anisotropy and plastic deformation within the material's meso-structure. © 2013 Elsevier B.V. All rights reserved.

DOI 10.1016/j.commatsci.2013.08.021
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova, Thomas Fiedler
2014 Fiedler T, Belova IV, Rawson A, Murch GE, 'Optimized Lattice Monte Carlo for thermal analysis of composites', Computational Materials Science, 95 207-212 (2014) [C1]

This paper addresses the use of the Lattice Monte Carlo method for the thermal characterization of composite materials. An optimized approach that minimizes computational time is ... [more]

This paper addresses the use of the Lattice Monte Carlo method for the thermal characterization of composite materials. An optimized approach that minimizes computational time is presented. The key aspect of the approach is the avoidance of the need to model the local thermal inertia. A combined finite element and Lattice Monte Carlo analysis is conducted on a model composite for a formal verification of the effective thermal diffusivity and conductivity calculated by the optimized Lattice Monte Carlo method. The effective thermal inertia is calculated separately by making use of the energy conservation law. © 2014 Elsevier Ltd. All rights reserved.

DOI 10.1016/j.commatsci.2014.07.029
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova, Thomas Fiedler
2014 Evteev AV, Momenzadeh L, Levchenko EV, Belova IV, Murch GE, 'Vibrational contribution to thermal transport in liquid cooper: Equilibrium molecular dynamics study', Computational Materials Science, 96 229-236 (2014) [C1]

The vibrational contribution to the thermal transport properties of liquid Cu is investigated in detail in the temperature range 1300-1800 K. The calculations are performed in the... [more]

The vibrational contribution to the thermal transport properties of liquid Cu is investigated in detail in the temperature range 1300-1800 K. The calculations are performed in the framework of equilibrium molecular dynamics making use of the Green-Kubo formalism and one of the most reliable embedded-atom method potentials for Cu. It is found that the temporal decay of the heat current autocorrelation function of the liquid Cu model can be described by a single exponential function, which is characterized in the studied temperature range by a constant value of the heat flux relaxation time of about 0.059 ps. The vibrational thermal conductivity of the liquid Cu model slightly decreases with temperature from about 1.1 W/(mK) at 1300 K to about 1 W/(mK) at 1800 K. Near the melting temperature it is about 30% lower than the vibrational thermal conductivity of the f.c.c Cu model. The calculated thermal diffusivity of the liquid Cu model is demonstrated to retain a constant value of about 2.7 × 10-7 m2/s in the studied temperature range, which is about two orders of magnitude higher than the atomic diffusivity in the model at the melting temperature. The vibrational contribution to the total thermal conductivity of liquid Cu is found to slightly decrease with temperature, being estimated as about 0.7-0.5% in the temperature range of 1400-1800 K. Furthermore, the applicability of some simple theoretical treatments of vibrational thermal transport in liquid Cu is discussed.

DOI 10.1016/j.commatsci.2014.09.028
Co-authors Elena Levchenko, Irina Belova, Alexander Evteev
2014 Nowotny J, Atanacio AJ, Bak T, Belova IV, Fiechter S, Ikuma Y, et al., 'Photosensitive oxide semiconductors for solar hydrogen fuel and water disinfection', International Materials Reviews, 59 449-478 (2014) [C1]

Hydrogen is expected to become a commonly used energy carrier on the global scale in the near future. However, hydrogen as a fuel is environmentally friendly only when generated f... [more]

Hydrogen is expected to become a commonly used energy carrier on the global scale in the near future. However, hydrogen as a fuel is environmentally friendly only when generated from water using renewable energy, such as solar energy. Therefore, intensive research aims to develop a new generation of solar materials, which may be used for the production of hydrogen fuel from water using solar energy. The highly promising candidates for solar energy conversion are photosensitive oxide semiconductors (POSs), particularly the TiO2-based semiconductors, which may be used for converting solar energy into the chemical energy required for hydrogen generation from water, as well as water purification (removal of microbial agents and toxic contaminants from water). The present work considers an R&D strategy for developing TiO2- based systems capable of converting solar energy into the chemical energy via water oxidation. The effect of surface versus bulk semiconducting properties on the performance of POSs is considered in terms of partial and total water oxidation. The progress requires modification of the key performance-related properties (KPPs) in order to enhance the light-induced reactivity of the POSs with water. The most recent approach in the development of POSs with enhanced performance is deposition of metallic islets of different size and shape in order to induce a plasmonic effect. The development of high-performance POSs can be achieved through a multidisciplinary approach. It is shown that defect disorder has a critical effect on the light-induced reactivity of POSs and the solar energy conversion. Therefore, defect engineering may be applied in the development of high-performance POSs. This work considers the hurdles in the development of high-performance POSs for specific applications and formulates the key questions that must be addressed to overcome these hurdles. The concepts developed for TiO2may be expanded for other metal oxides.

DOI 10.1179/1743280414Y.0000000039
Citations Web of Science - 1
Co-authors Irina Belova
2014 Fiedler T, Belova IV, Murch GE, Poologasundarampillai G, Jones JR, Roether JA, Boccaccini AR, 'A comparative study of oxygen diffusion in tissue engineering scaffolds', Journal of Materials Science: Materials in Medicine, 25 2573-2578 (2014) [C1]

Tissue engineering scaffolds are designed to support tissue self-healing within physiological environments by promoting the attachment, growth and differentiation of relevant cell... [more]

Tissue engineering scaffolds are designed to support tissue self-healing within physiological environments by promoting the attachment, growth and differentiation of relevant cells. Newly formed tissue must be supplied with sufficient levels of oxygen to prevent necrosis. Oxygen diffusion is the major transport mechanism before vascularization is completed and oxygen is predominantly supplied via blood vessels. The present study compares different designs for scaffolds in the context of their oxygen diffusion ability. In all cases, oxygen diffusion is confined to the scaffold pores that are assumed to be completely occupied by newly formed tissue. The solid phase of the scaffolds acts as diffusion barrier that locally inhibits oxygen diffusion, i.e. no oxygen passes through the scaffold material. As a result, the oxygen diffusivity is determined by the scaffold porosity and pore architecture. Lattice Monte Carlo simulations are performed to compare the normalized oxygen diffusivities in scaffolds obtained by the foam replication (FR) method, robocasting and sol¿gel foaming. Scaffolds made by the FR method were found to have the highest oxygen diffusivity due to their high porosity and interconnected pores. These structures enable the best oxygen supply for newly formed tissue among the scaffold types considered according to the present numerical predictions.

DOI 10.1007/s10856-014-5264-7
Citations Scopus - 2Web of Science - 1
Co-authors Thomas Fiedler, Irina Belova
2014 Sowa P, Biborski A, Kozubski R, Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Semigrand Canonical and Kinetic Monte Carlo simulations of binary B2-ordered nano-films with triple defects', Intermetallics, 55 40-48 (2014) [C1]

Equilibrium atomic configurations and the kinetics of "order- order" and surface segregation processes in B2-ordering stoichiometric A-50 at.%B binary thin films are investigated ... [more]

Equilibrium atomic configurations and the kinetics of "order- order" and surface segregation processes in B2-ordering stoichiometric A-50 at.%B binary thin films are investigated by means of Semigrand Canonical Monte Carlo (SGCMC) and Kinetic Monte Carlo (KMC) simulations. The (100)-oriented films are modeled with an Ising-type Hamiltonian with previously evaluated pair-interaction energy parameters yielding the effect of "triple-defect disordering". The SGCMC simulations provide equilibrium vacancy concentration and atomic configuration in the films with B-atom termination of both free surfaces achieved at high temperatures by the generation of an antiphase boundary. Despite strong vacancy surface segregation, the thermodynamic activation energy for their formation inside the films is the same as in the bulk material. KMC simulations implemented with the SGCMC-determined equilibrium vacancy concentration reveal very slow relaxation of the films towards equilibrium configuration. The B-termination of the (100) free surfaces is produced by A-atom diffusion inwards into the films mediated by vacancies segregating on surfaces. © 2014 Elsevier Ltd. All rights reserved.

DOI 10.1016/j.intermet.2014.07.002
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2014 Öchsner A, Murch GE, Shokuhfar A, Delgado JMPQ, 'Preface', Defect and Diffusion Forum, 353 (2014) [C3]
2014 Allnatt AR, Belova IV, Murch GE, 'Diffusion kinetics in dilute binary alloys with the h.c.p. crystal structure', PHILOSOPHICAL MAGAZINE, 94 2487-2504 (2014) [C1]
DOI 10.1080/14786435.2014.916426
Citations Web of Science - 1
Co-authors Irina Belova
2014 Evteev AV, Momenzadeh L, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics prediction of phonon-mediated thermal conductivity of f.c.c. Cu', Philosophical Magazine, 94 731-751 (2014) [C1]

The phonon-mediated thermal conductivity of f.c.c. Cu is investigated in detail in the temperature range 40-1300 K. The calculations are performed in the framework of equilibrium ... [more]

The phonon-mediated thermal conductivity of f.c.c. Cu is investigated in detail in the temperature range 40-1300 K. The calculations are performed in the framework of equilibrium molecular dynamics making use of the Green-Kubo formalism and one of the most reliable embedded-atom method potentials for Cu. It is found that the temporal decay of the heat current autocorrelation function (HCACF) of the Cu model at low and intermediate temperatures demonstrate a more complex behaviour than the two-stage decay observed previously for the f.c.c. Ar model. After the first stage of decay, it demonstrates a peak in the temperature range 40-800 K. A decomposition model of the HCACF is introduced. In the framework of that model we demonstrate that a classical description of the phonon thermal transport in the Cu model can be used down to around one quarter of the Debye temperature (about 90 K). Also, we find that above 300 K the thermal conductivity of the Cu model varies with temperature more rapidly than, following an exponent close to -1.4 in agreement with previous calculations on the Ar model. Phonon thermal conductivity of Cu is found to be about one order of magnitude higher than Ar. The phonon contribution to the total thermal conductivity of Cu can be estimated to be about 0.5% at 1300 K and about 10% at 90 K. © 2013 © 2013 Taylor & Francis.

DOI 10.1080/14786435.2013.861090
Citations Scopus - 4Web of Science - 4
Co-authors Elena Levchenko, Alexander Evteev, Irina Belova
2014 Allnatt AR, Belova IV, Murch GE, 'Diffusion kinetics in dilute binary alloys with the h.c.p. crystal structure', Philosophical Magazine, 94 2487-2504 (2014) [C1]

In this paper, an extended version of the matrix method is derived in order to address diffusion kinetics for the full anisotropic three-dimensional h.c.p. structure. It is shown ... [more]

In this paper, an extended version of the matrix method is derived in order to address diffusion kinetics for the full anisotropic three-dimensional h.c.p. structure. It is shown that the diffusion anisotropy can be properly addressed with a model of 13 atom-vacancy frequencies which is an extended version of the well-known 5-frequency model for the f.c.c. lattice. Both tracer and phenomenological diffusion coefficients are calculated using this new approach. Extended Monte Carlo simulations are performed in order to cross-check some of the results of the matrix method. Applications of the proposed model to experimental diffusion data are discussed. © 2014 Taylor & Francis.

DOI 10.1080/14786435.2014.916426
Citations Scopus - 2
Co-authors Irina Belova
2014 Evteev AV, Levchenko EV, Belova IV, Kozubski R, Liu Z-K, Murch GE, 'Thermotransport in binary system: Case study on Ni50Al50 melt', Philosophical Magazine, 94 3574-3602 (2014) [C1]

The formalism of thermotransport in a binary system is analysed. Focus is put on a detailed consideration of the heat of transport parameter characterizing diffusion driven by a t... [more]

The formalism of thermotransport in a binary system is analysed. Focus is put on a detailed consideration of the heat of transport parameter characterizing diffusion driven by a temperature gradient. We introduce the reduced heat of transport parameter, which characterizes part of the interdiffusion flux that is proportional to the temperature gradient. In an isothermal system represents the reduced heat flow (pure heat conduction) consequent upon unit interdiffusion flux. It is demonstrated that is independent of reference frame and is useful in a practical way for direct comparison of simulation and experimental data from different sources obtained in different reference frames. In the case study of the liquid Ni50Al50 alloy, we use equilibrium molecular dynamics simulations in conjunction with the Green-Kubo formalism to evaluate the heat transport properties of the model within the temperature range of 1500-4000 K. Our results predict that in the presence of a temperature gradient Ni tends to diffuse from the cold end to the hot end whilst Al tends to diffuse from the hot end to the cold end.

DOI 10.1080/14786435.2014.965236
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2014 Belova IV, Kulkarni NS, Sohn YH, Murch GE, 'Simultaneous tracer diffusion and interdiffusion in a sandwich-type configuration to provide the composition dependence of the tracer diffusion coefficients', Philosophical Magazine, 94 3560-3573 (2014) [C1]

In this paper, a new formalism of a combined tracer and interdiffusion experiment for a binary interdiffusion couple is developed. The analysis requires an interdiffusion couple t... [more]

In this paper, a new formalism of a combined tracer and interdiffusion experiment for a binary interdiffusion couple is developed. The analysis requires an interdiffusion couple that initially contains a thin layer of tracers of one or both of the constituent elements at the original interface of the couple (sandwich interdiffusion experiment). This type of interdiffusion experiment was first performed in 1958 by J.R. Manning. The theoretical analysis presented in this paper is based on a newly developed phenomenological theory of isotopic interdiffusion combined with the Boltzmann-Matano formalism. This new analysis now provides the means to obtain the composition dependent interdiffusion coefficient and tracer diffusion coefficients simultaneously from analysis of the interdiffusion and tracer profiles in a single sandwich interdiffusion experiment. The new analysis is successfully applied to the results of Mannings original sandwich interdiffusion experiment in the Ag-Cd system (six couples in total) and is validated with an independent determination of the Ag and Cd tracer diffusion coefficients by Schoen using the conventional thin film technique. Suggestions for further development of the sandwich interdiffusion experiment and analysis to the case of multicomponent alloys are provided.

DOI 10.1080/14786435.2014.965234
Co-authors Irina Belova
2014 Belova IV, Kulkarni NS, Sohn YH, Murch GE, 'Simultaneous tracer diffusion and interdiffusion in a sandwich-type configuration to provide the composition dependence of the tracer diffusion coefficients', Philosophical Magazine, 94 3560-3573 (2014)
DOI 10.1080/14786435.2014.965234
Co-authors Irina Belova
2014 Evteev AV, Momenzadeh L, Levchenko EV, Belova IV, Murch GE, 'Decomposition model for phonon thermal conductivity of a monatomic lattice', Philosophical Magazine, 94 3992-4014 (2014)
DOI 10.1080/14786435.2014.969351
Co-authors Alexander Evteev, Elena Levchenko, Irina Belova
2014 Evteev AV, Momenzadeh L, Levchenko EV, Belova IV, Murch GE, 'Decomposition model for phonon thermal conductivity of a monatomic lattice', Philosophical Magazine, 94 3992-4014 (2014) [C1]

An analytical treatment of decomposition of the phonon thermal conductivity of a crystal with a monatomic unit cell is developed on the basis of a two-stage decay of the heat curr... [more]

An analytical treatment of decomposition of the phonon thermal conductivity of a crystal with a monatomic unit cell is developed on the basis of a two-stage decay of the heat current autocorrelation function observed in molecular dynamics simulations. It is demonstrated that the contributions from the acoustic short-and long-range phonon modes to the total phonon thermal conductivity can be presented in the form of simple kinetic formulas, consisting of products of the heat capacity and the average relaxation time of the considered phonon modes as well as the square of the average phonon velocity. On the basis of molecular dynamics calculations of the heat current autocorrelation function, this treatment allows for a self-consistent numerical evaluation of the aforementioned variables. In addition, the presented analysis allows, within the Debye approximation, for the identification of the temperature range where classical molecular dynamics simulations can be employed for the prediction of phonon thermal transport properties. As a case example, Cu is considered.

DOI 10.1080/14786435.2014.969351
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2014 Evteev AV, Levchenko EV, Momenzadeh L, Sohn Y, Belova IV, Murch GE, 'Molecular dynamics study of phonon-mediated thermal transport in a Ni50Al50 melt: case analysis of the influence of the process on the kinetics of solidification', Philosophical Magazine, (2014)

The phonon-mediated contribution to the thermal transport properties of liquid NiAl alloy is investigated in detail over a wide temperature range. The calculations are performed i... [more]

The phonon-mediated contribution to the thermal transport properties of liquid NiAl alloy is investigated in detail over a wide temperature range. The calculations are performed in the framework of equilibrium molecular dynamics making use of the Green¿Kubo formalism and one of the most reliable embedded-atom method potentials for the intermetallic alloy. The phonon-mediated contribution to the thermal conductivity of the liquid alloy is calculated at equilibrium as well as for the steady state. The relative magnitude of the thermal conductivity decrease induced by the transition to the steady state is estimated to be less than 2% below 2000¿K and less than 1% at 3000 and 4000¿K. It is also found that the phonon-mediated contribution to the thermal conductivity of the liquid alloy can be accurately estimated (well within 1%) on the basis of an approximation which invokes the straightforwardly accessible microscopic expression for the total heat flux without demanding calculations of the partial enthalpies needed for the precise evolution of the reduced heat flux (pure heat conduction). On the basis of these calculations, the correspondence between the experimentally observed and modelled kinetics of solidification due to a difference in thermal conductivity is discussed.

DOI 10.1080/14786435.2014.984006
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2014 Kulkarni NS, Warmack RJB, Radhakrishnan B, Hunter JL, Sohn Y, Coffey KR, et al., 'Overview of SIMS-Based Experimental Studies of Tracer Diffusion in Solids and Application to Mg Self-Diffusion (vol 35, pg 762, 2014)', JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION, 35 779-779 (2014)
DOI 10.1007/s11669-014-0352-4
Co-authors Irina Belova
2014 Kulkarni NS, Bruce Warmack RJ, Radhakrishnan B, Hunter JL, Sohn Y, Coffey KR, et al., 'Overview of SIMS-Based Experimental Studies of Tracer Diffusion in Solids and Application to Mg Self-Diffusion', Journal of Phase Equilibria and Diffusion, (2014)

Tracer diffusivities provide the most fundamental information on diffusion in materials, and are the foundation of robust diffusion databases that enable the use of the Onsager ph... [more]

Tracer diffusivities provide the most fundamental information on diffusion in materials, and are the foundation of robust diffusion databases that enable the use of the Onsager phenomenological formalism with no major assumptions. Compared to traditional radiotracer techniques that utilize radioactive isotopes, the secondary ion mass spectrometry (SIMS)-based thin-film technique for tracer diffusion is based on the use of enriched stable isotopes that can be accurately profiled using SIMS. An overview of the thin-film method for tracer diffusion studies using stable isotopes is provided. Experimental procedures and techniques for the measurement of tracer diffusion coefficients are presented for pure magnesium, which presents some unique challenges due to the ease of oxidation. The development of a modified Shewmon-Rhines diffusion capsule for annealing Mg and an ultra-high vacuum system for sputter deposition of Mg isotopes are discussed. Optimized conditions for accurate SIMS depth profiling in polycrystalline Mg are provided. An automated procedure for correction of heat-up and cool-down times during tracer diffusion annealing is discussed. The non-linear fitting of a SIMS depth profile data using the thin-film Gaussian solution to obtain the tracer diffusivity along with the background tracer concentration and tracer film thickness is demonstrated. An Arrhenius fit of the Mg self-diffusion data obtained using the low-temperature SIMS measurements from this study and the high-temperature radiotracer measurements of Shewmon and Rhines (Trans. AIME 250:1021-1025, 1954) was found to be a good representation of both types of diffusion data over a broad range of temperatures between 250 and 627 °C (523 and 900 K).

DOI 10.1007/s11669-014-0344-4
Citations Web of Science - 1
Co-authors Irina Belova
2014 Öchsner A, Belova IV, Murch GE, 'Preface', Journal of Nano Research, 26 (2014) [C3]
Co-authors Irina Belova
2014 Murch GE, Nowotny J, Atanacio AJ, Bak T, Fiechler S, Ikuma Y, et al., 'Photosensitive oxide semiconductors: materials for solar hydrogen fuel', International Materials Reviews, 59 449-478 (2014) [C1]
DOI 10.1179/1743280414Y.0000000039
Co-authors Irina Belova
2014 Murch GE, Evteev AV, Levchenko EV, Belova IV, Liu Z-K, Kozubski R, 'Theoretical study of the heat of transport in a liquid Ni50Al50 alloy: Green-Kubo approach', Diffusion Foundations, 2 159-189 (2014) [C1]
Co-authors Elena Levchenko, Irina Belova, Alexander Evteev
2013 Fiedler T, Richards HS, Belova IV, Oechsner A, Murch GE, 'Experimental analysis on the thermal anisotropy of syntactic hollow sphere structures', EXPERIMENTAL THERMAL AND FLUID SCIENCE, 44 637-641 (2013) [C1]
DOI 10.1016/j.expthermflusci.2012.09.003
Citations Scopus - 4Web of Science - 4
Co-authors Thomas Fiedler, Irina Belova
2013 Veyhl C, Fiedler T, Jehring U, Andersen O, Bernthaler T, Belova IV, Murch GE, 'On the mechanical properties of sintered metallic fibre structures', MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 562 83-88 (2013) [C1]
DOI 10.1016/j.msea.2012.11.034
Citations Scopus - 3Web of Science - 3
Co-authors Thomas Fiedler, Irina Belova
2013 Fiedler T, Veyhl C, Belova IV, Bernthaler T, Heine B, Murch GE, 'Mechanical properties and micro-deformation of sintered metallic hollow sphere structure', COMPUTATIONAL MATERIALS SCIENCE, 74 143-147 (2013) [C1]
DOI 10.1016/j.commatsci.2013.03.010
Citations Scopus - 1Web of Science - 1
Co-authors Thomas Fiedler, Irina Belova
2013 Levchenko EV, Evteev AV, Lorscheider T, Belova IV, Murch GE, 'Molecular dynamics simulation of alloying in an Al-coated Ti nanoparticle', Computational Materials Science, 79 316-325 (2013) [C1]
DOI 10.1016/j.commatsci.2013.06.005
Citations Scopus - 2Web of Science - 2
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2013 Levchenko EV, Evteev AV, Yavari AR, Louzguine-Luzgin DV, Belova IV, Murch GE, 'A structural model for surface-enhanced stabilization in some metallic glass formers', PHILOSOPHICAL MAGAZINE LETTERS, 93 50-57 (2013) [C1]
DOI 10.1080/09500839.2012.729960
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2013 Ochsner A, Belova I, Murch G, 'Preface: Defect and Diffusion Forum V.336', Defect and Diffusion Forum, 336 1-1 (2013) [C3]
Co-authors Irina Belova
2013 Öchsner A, Murch GE, Shokuhfar A, Delgado JMPQ, 'Preface', Defect and Diffusion Forum, 334-335 (2013)
2013 Ochsner A, Belova I, Murch G, 'Preface: Defect and Diffusion Forum v. 333', Defect and Diffusion Forum, 333 (2013) [C3]
Co-authors Irina Belova
2013 Momenzadeh L, Evteev AV, Levchenko EV, Belova IV, Murch GE, Sohn Y, 'Phonon thermal conductivity of f.c.c. Cu by molecular dynamics simulation', Defect and Diffusion Forum, 336 169-184 (2013) [C1]
DOI 10.4028/www.scientific.net/DDF.336.169
Co-authors Alexander Evteev, Elena Levchenko, Irina Belova
2013 Belova IV, Murch GE, 'Interdiffusion in Intermetallics', METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 44A 4417-4421 (2013) [C3]
DOI 10.1007/s11661-013-1853-1
Co-authors Irina Belova
2013 Fiedler T, Loosemore J, Belova IV, Murch GE, 'A comparative study of heat sink composites for temperature stabilisation', APPLIED THERMAL ENGINEERING, 58 314-320 (2013) [C1]
DOI 10.1016/j.applthermaleng.2013.04.022
Citations Scopus - 1Web of Science - 1
Co-authors Thomas Fiedler, Irina Belova
2013 Belova IV, Kulkarni NS, Sohn YH, Murch GE, 'Simultaneous measurement of tracer and interdiffusion coefficients: an isotopic phenomenological diffusion formalism for the binary alloy', PHILOSOPHICAL MAGAZINE, 93 3515-3526 (2013) [C1]
DOI 10.1080/14786435.2013.813982
Citations Scopus - 5Web of Science - 5
Co-authors Irina Belova
2013 Sowa P, Kozubski R, Biborski A, Levchenko EV, Evteev AV, Belova IV, et al., 'Self-diffusion and order-order kinetics in B2-ordering AB binary systems with a tendency for triple-defect formation: Monte Carlo simulation', Philosophical Magazine, 93 1987-1998 (2013) [C1]

Self-diffusion of component atoms and order-order relaxations in a B2-ordering binary system AB showing a tendency for triple-defect formation were consistently simulated by means... [more]

Self-diffusion of component atoms and order-order relaxations in a B2-ordering binary system AB showing a tendency for triple-defect formation were consistently simulated by means of two Monte Carlo techniques. In view of a strict correlation between antisite-defect and vacancy concentrations the Kinetic Monte Carlo (KMC) simulations were implemented with a temperature-dependent vacancy concentration determined by means of Semi-Grand Canonical Monte Carlo (SGCMC) simulations. The Ising model of the system was completed with local-configuration-dependent saddle-point energy parameters related to vacancy mediated atomic jumps. The simulations elucidated the atomistic origin of the experimentally observed low rate of order-order relaxations in NiAl, as well as reproduced the experimental relation between the activation energies for order-order kinetics and Ni self-diffusion in NiAl. Higher value of the deduced activation energy for atomic migration with respect to the effective energy barriers related to individual atomic jumps indicated their high correlation. © 2013 Taylor & Francis Group, LLC.

DOI 10.1080/14786435.2012.742591
Citations Scopus - 2Web of Science - 2
Co-authors Elena Levchenko, Irina Belova, Alexander Evteev
2013 Oechsner A, Belova IV, Murch GE, 'Preface: Journal of Nano Research v. 21', JOURNAL OF NANO RESEARCH, 21 (2013) [C3]
2013 Balucan RD, Dlugogorski BZ, Kennedy EM, Belova IV, Murch GE, 'Energy cost of heat activating serpentinites for CO2 storage by mineralisation', INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL, 17 225-239 (2013) [C1]
DOI 10.1016/j.ijggc.2013.05.004
Citations Scopus - 9Web of Science - 8
Co-authors Irina Belova, Eric Kennedy, Bogdan Dlugogorski
2012 Fiedler T, Belova IV, Murch GE, 'Critical analysis of the experimental determination of the thermal resistance of metal foams', International Journal of Heat and Mass Transfer, 55 4415-4420 (2012) [C1]
Citations Scopus - 6Web of Science - 5
Co-authors Thomas Fiedler, Irina Belova
2012 Veyhl C, Fiedler T, Andersen O, Meinert J, Bernthaler T, Belova IV, Murch GE, 'On the thermal conductivity of sintered metallic fibre structures', International Journal of Heat and Mass Transfer, 55 2440-2448 (2012) [C1]
Citations Scopus - 13Web of Science - 14
Co-authors Thomas Fiedler, Irina Belova
2012 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics simulation of surface segregation, diffusion and reaction phenomena in equiatomic Ni-Al systems', Physics of Metals and Metallography, 113 1202-1243 (2012) [C1]
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova, Elena Levchenko, Alexander Evteev
2012 Fiedler T, Belova IV, Murch GE, Roether JA, Boccaccini AR, 'Tailoring elastic properties of PLGA/TiO2 biomaterials', Computational Materials Science, 61 283-286 (2012) [C1]
Citations Scopus - 4Web of Science - 4
Co-authors Thomas Fiedler, Irina Belova
2012 Hossain MF, Evteev AV, Belova IV, Nowotny J, Murch GE, 'First-principles calculations of a corrugated anatase TiO2 surface', Computational Materials Science, 51 78-82 (2012) [C1]
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova, Alexander Evteev
2012 Levchenko EV, Evteev AV, Loewisch G, Belova IV, Murch GE, 'Molecular dynamics simulation of alloying in a Ti-coated Al nanoparticle', Intermetallics, 22 193-202 (2012) [C1]
Citations Scopus - 10Web of Science - 10
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2012 Öchsner A, Murch G, 'Preface', Defect and Diffusion Forum, 322 (2012)
2012 Mehrer H, Schaefer H-E, Belova IV, Murch GE, 'Molybdenum disilicide: Diffusion, defects, diffusion correlation, and creep', Defect and Diffusion Forum, 322 107-128 (2012) [C1]
Co-authors Irina Belova
2012 Ochsner A, Murch GE, 'Recent advances in mass transport in materials: Special topic volume with invited peer review papers only', Defect and Diffusion Forum, 322 v (2012) [C6]
2012 Fiedler T, Belova IV, Murch GE, 'u-CT-based finite element analysis on imperfections in open-celled metal foam: Mechanical properties', Scripta Materialia, 67 455-458 (2012) [C1]
Citations Scopus - 5Web of Science - 4
Co-authors Irina Belova, Thomas Fiedler
2012 Fiedler T, Veyhl C, Belova IV, Tane M, Nakajima H, Bernthaler T, et al., 'On the anisotropy of lotus-type porous copper', Advanced Engineering Materials, 14 144-152 (2012) [C1]
DOI 10.1002/adem.201100205
Citations Scopus - 6Web of Science - 4
Co-authors Irina Belova, Thomas Fiedler
2012 Belova IV, Fiedler T, Kulkarni N, Murch GE, 'The Harrison diffusion kinetics regimes in solute grain boundary diffusion', Philosophical Magazine, 92 1748-1763 (2012) [C1]
Citations Scopus - 2Web of Science - 3
Co-authors Thomas Fiedler, Irina Belova
2012 Levchenko EV, Evteev AV, Hossain MF, Belova IV, Murch GE, 'Structural stability and energy of a Pd2Ni Nanofilm: Ab initio calculations', Journal of Nanoscience and Nanotechnology, 12 8205-8210 (2012) [C1]
Citations Scopus - 1Web of Science - 1
Co-authors Elena Levchenko, Alexander Evteev, Irina Belova
2012 Ochsner A, Belova IV, Murch GE, 'Selected peer-reviewed articles on carbon and oxide based nanostructured materials', Journal of Nanoscience and Nanotechnology, 12 8098-8099 (2012) [C6]
Co-authors Irina Belova
2012 Hossain MF, Evteev AV, Belova IV, Nowotny J, Murch GE, 'Structural, electronic and optical properties of titania nanotubes', Advances in Applied Ceramics, 111 72-93 (2012) [C1]
Citations Scopus - 3Web of Science - 3
Co-authors Alexander Evteev, Irina Belova
2012 Hossain FM, Evteev AV, Belova IV, Nowotny J, Murch GE, 'Structural, electronic and optical properties of titania nanotubes', Energy Materials: Materials Science and Engineering for Energy Systems, 7 72-93 (2012) [C3]

This review paper describes primarily recent theoretical calculations with some supporting experimental findings on titania nanotubes. Nanotubes with different types and sizes are... [more]

This review paper describes primarily recent theoretical calculations with some supporting experimental findings on titania nanotubes. Nanotubes with different types and sizes are discussed in detail in terms of existing theoretical and experimental achievements. Both classical and quantum mechanical simulations are focused on. The properties of these nanotubes have been treated within first principle density functional electronic structure simulation methods. In this paper, we pay particular attention to computational aspects, but when appropriate, relationships with experimental results on titania nanostructures will be mentioned. First, the structural properties of titania nanotubes are reviewed, focusing from experimental growth mechanism to possible theoretical stable structure and orientation. Second, the electronic structure of nanotubes is discussed in terms of band gap modifications of titania and photocatalytic efficiencies in photoelectrochemical devices. Finally, current computational limitations and future directions are described with respect to the performances of nanotube titania based photosensitive devices. © 2012 Institute of Materials, Minerals and Mining Published by Maney on behalf of the Institute.

Co-authors Irina Belova, Alexander Evteev
2012 Fiedler T, Belova IV, Ochsner A, Murch GE, 'A lattice Monte Carlo analysis on chemical reaction with moving boundary', Computational Thermal Sciences, 4 131-135 (2012) [C1]
Co-authors Irina Belova, Thomas Fiedler
2012 Veyhl C, Fiedler T, Herzig T, Ochsner A, Bernthaler T, Belova IV, Murch GE, 'Thermal conductivity computations of sintered hollow sphere structures', Metals, 2 113-121 (2012) [C1]
Citations Web of Science - 2
Co-authors Irina Belova, Thomas Fiedler
2012 Ochsner A, Murch GE, 'Recent advances in mass transport in materials: Special topic volume with invited peer review papers only', Defect and Diffusion Forum, 322 v (2012) [C6]
2011 Belova IV, Mehrer H, Murch GE, 'Diffusion correlation effects of molybdenum and silicon in molybdenum disilicide', Philosophical Magazine, 91 3727-3743 (2011) [C1]
Citations Scopus - 2Web of Science - 2
Co-authors Irina Belova
2011 Ochsner A, Belova IV, Murch GE, 'A special section on new developments of nanostructured particles and materials', Journal of Biomedical Nanotechnology, 7 431-432 (2011) [C6]
Citations Scopus - 1
Co-authors Irina Belova
2011 Oechsner A, Belova IV, Murch GE, 'Preface', JOURNAL OF NANO RESEARCH, 13 I-I (2011) [C3]
2011 Oechsner A, Belova IV, Murch GE, 'Preface', JOURNAL OF NANO RESEARCH, 16 III-III (2011) [C3]
2011 Öchsner A, Belova IV, Murch GE, 'Journal of Nano Research: Preface', Journal of Nano Research, 13 (2011) [C3]
DOI 10.4028/www.scientific.net/JNanoR.13.2
2011 Ochsner A, Belova IV, Murch GE, 'Editors', Journal of Nano Research, 13 (2011) [C6]
Co-authors Irina Belova
2011 Öchsner A, Murch GE, 'Preface', Advanced Structured Materials, 2 (2011)
2011 Veyhl C, Belova IV, Murch GE, Fiedler T, 'Finite element analysis of the mechanical properties of cellular aluminium based on micro-computed tomography', Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing, 528 4550-4555 (2011) [C1]
DOI 10.1016/j.msea.2011.02.031
Citations Scopus - 21Web of Science - 20
Co-authors Thomas Fiedler, Irina Belova
2011 Hossain MF, Dlugogorski BZ, Kennedy EM, Belova IV, Murch GE, 'First-principles study of the electronic, optical and bonding properties in dolomite', Computational Materials Science, 50 1037-1042 (2011) [C1]
DOI 10.1016/j.commatsci.2010.10.044
Citations Scopus - 8Web of Science - 8
Co-authors Irina Belova, Eric Kennedy, Bogdan Dlugogorski
2011 Fiedler T, Belova IV, Murch GE, 'Numerical simulation of Knudsen diffusion in metallic foam', Computational Materials Science, 50 1795-1799 (2011) [C1]
DOI 10.1016/j.commatsci.2011.01.017
Citations Scopus - 3Web of Science - 3
Co-authors Irina Belova, Thomas Fiedler
2011 Fiedler T, Belova IV, Broxtermann S, Murch GE, 'A thermal analysis on self-propagating high temperature synthesis in joining technology', Computational Materials Science, 53 251-257 (2011) [C1]
DOI 10.1016/j.commatsci.2011.08.015
Citations Scopus - 4Web of Science - 3
Co-authors Irina Belova, Thomas Fiedler
2011 Fiedler T, Belova IV, Murch GE, 'A comparative study of Knudsen diffusion in cellular metals', Computational Materials Science, 50 2666-2670 (2011) [C1]
DOI 10.1016/j.commatsci.2011.04.016
Citations Scopus - 2Web of Science - 2
Co-authors Irina Belova, Thomas Fiedler
2011 Hossain MF, Dlugogorski BZ, Kennedy EM, Belova IV, Murch GE, 'Ab-initio electronic structure, optical, dielectric and bonding properties of lizardite-1T', Computational Materials Science, 50 1725-1730 (2011) [C1]
DOI 10.1016/j.commatsci.2011.01.003
Citations Scopus - 4Web of Science - 4
Co-authors Eric Kennedy, Irina Belova, Bogdan Dlugogorski
2011 Veyhl C, Belova IV, Murch GE, Ochsner A, Fiedler T, 'Thermal analysis of aluminium foam based on microcomputed tomography', Materialwissenschaft und Werkstofftechnik, 42 350-355 (2011) [C1]
DOI 10.1002/mawe.201100787
Citations Scopus - 6Web of Science - 8
Co-authors Thomas Fiedler, Irina Belova
2011 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics simulation of diffusion in a (110) B2-NiAl film', Intermetallics, 19 848-854 (2011) [C1]
DOI 10.1016/j.intermet.2011.01.010
Citations Scopus - 4Web of Science - 4
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2011 Evteev AV, Levchenko EV, Hagel FA, Belova IV, Murch GE, 'Molecular dynamics study of reaction pathways in an Al-coated Ni nanoparticle', Intermetallics, 19 934-941 (2011) [C1]
DOI 10.1016/j.intermet.2011.02.012
Citations Scopus - 9Web of Science - 10
Co-authors Irina Belova, Elena Levchenko, Alexander Evteev
2011 Öchsner A, Murch GE, Delgado JMPQ, 'Defect and Diffusion Forum: Preface', Defect and Diffusion Forum, 312-315 (2011) [C3]
2011 Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Molecular dynamics determination of the time-temperature-transformation diagram for crystallization of an undercooled liquid Ni50A150 alloy', Acta Materialia, 59 6412-6419 (2011) [C1]
Citations Scopus - 7Web of Science - 7
Co-authors Alexander Evteev, Irina Belova, Elena Levchenko
2011 Belova IV, Veyhl C, Fiedler T, Murch GE, 'Analysis of anisotropic behaviour of thermal conductivity in cellular metals', Scripta Materialia, 65 436-439 (2011) [C1]
DOI 10.1016/j.scriptamat.2011.05.029
Citations Scopus - 10Web of Science - 9
Co-authors Thomas Fiedler, Irina Belova
2011 Levchenko EV, Evteev AV, Kozubski R, Belova IV, Murch GE, 'Molecular dynamics simulation of surface segregation in a (110) B2-NiAl thin film', Physical Chemistry Chemical Physics, 13 1214-1221 (2011) [C1]
DOI 10.1039/C0CP00376J
Citations Scopus - 5Web of Science - 5
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2010 Oechsner A, Belova IV, Murch GE, 'Preface', JOURNAL OF NANO RESEARCH, 11 III-III (2010) [C3]
2010 Öchsner A, Belova IV, Murch GE, 'Journal of Nano Research: Preface', Journal of Nano Research, 11 (2010) [C3]
DOI 10.4028/www.scientific.net/JNanoR.11.0
2010 Fiedler T, Belova IV, Murch GE, 'Lattice Monte Carlo analyses of thermal diffusion in laminar flow', Proceedings of the World Academy of Science, Engineering and Technology, 63 306-310 (2010) [C1]
Co-authors Irina Belova, Thomas Fiedler
2010 Fiedler T, Belova IV, Murch GE, Öchsner A, 'Recent Advances in the Prediction of the Thermal Properties of Metallic Hollow Sphere Structures 73-110 (2010)
DOI 10.1002/9783527632312.ch3
Co-authors Thomas Fiedler, Irina Belova
2010 Eliasson B, Stenflo L, Bingham R, Mendonca JT, Mamun AA, Shaikh D, 'Preface', JOURNAL OF PLASMA PHYSICS, 76 257-257 (2010) [C3]
DOI 10.1017/S0022377809990936
2010 Hossain MF, Dlugogorski BZ, Kennedy EM, Belova IV, Murch GE, 'Electronic, optical and bonding properties of MgCO3', Solid State Communications, 150 848-851 (2010) [C1]
DOI 10.1016/j.ssc.2010.02.008
Citations Scopus - 6Web of Science - 6
Co-authors Bogdan Dlugogorski, Irina Belova, Eric Kennedy
2010 Veyhl C, Belova IV, Murch GE, Ochsner A, Fiedler T, 'On the mesh dependence of non-linear mechanical finite element analysis', Finite Elements in Analysis and Design, 46 371-378 (2010) [C1]
DOI 10.1016/j.finel.2009.12.003
Citations Scopus - 15Web of Science - 16
Co-authors Irina Belova, Thomas Fiedler
2010 Levchenko EV, Evteev AV, Riley DP, Belova IV, Murch GE, 'Molecular dynamics simulation of the alloying reaction in Al-coated Ni nanoparticle', Computational Materials Science, 47 712-720 (2010) [C1]
DOI 10.1016/j.commatsci.2009.10.014
Citations Scopus - 29Web of Science - 28
Co-authors Elena Levchenko, Irina Belova, Alexander Evteev
2010 Fiedler T, Belova IV, Murch GE, 'A Lattice Monte Carlo analysis on coupled reaction and mass diffusion', Computational Materials Science, 47 826-831 (2010) [C1]
DOI 10.1016/j.commatsci.2009.11.010
Citations Scopus - 3Web of Science - 1
Co-authors Irina Belova, Thomas Fiedler
2010 Levchenko EV, Evteev AV, Beck DR, Belova IV, Murch GE, 'Molecular dynamics simulation of the thermophysical properties of an undercooled liquid Ni50Al50 alloy', Computational Materials Science, 50 465-473 (2010) [C1]
DOI 10.1016/j.commatsci.2010.09.006
Citations Scopus - 12Web of Science - 12
Co-authors Alexander Evteev, Elena Levchenko, Irina Belova
2010 Fiedler T, Belova IV, Murch GE, 'Theoretical and lattice Monte Carlo analyses on thermal conduction in cellular metals', Computational Materials Science, 50 503-509 (2010) [C1]
DOI 10.1016/j.commatsci.2010.09.011
Citations Scopus - 20Web of Science - 21
Co-authors Irina Belova, Thomas Fiedler
2010 Murch GE, Hossain MF, Evteev AV, Belova IV, Nowotny J, 'Electronic and optical properties of anatase TiO2 nanotubes', Computational Materials Science, 48 854-858 (2010) [C1]
DOI 10.1016/j.commatsci.2010.04.007
Citations Scopus - 20Web of Science - 18
Co-authors Alexander Evteev, Irina Belova
2010 Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Molecular dynamics study of density, surface energy and self-diffusion in a liquid Ni50Al50 alloy', Computational Materials Science, 50 331-337 (2010) [C1]
DOI 10.1016/j.commatsci.2010.08.022
Citations Scopus - 8Web of Science - 8
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2010 Fiedler T, Kim H-S, Belova IV, Sloan SW, Murch GE, Ochsner A, 'Elastic finite element analysis on cross-sections of random hollow sphere structures', Materialwissenschaft und Werkstofftechnik, 41 250-256 (2010) [C1]
DOI 10.1002/mawe.201000593
Citations Scopus - 3Web of Science - 2
Co-authors Thomas Fiedler, Scott Sloan, Irina Belova, Ho-Sung Kim
2010 Farnsworth J, Murch GE, Belova IV, Ochsner A, Fiedler T, 'A lattice monte carlo analysis on thermal diffusion in syntactic hollow-sphere structures', Materialwissenschaft und Werkstofftechnik, 41 283-286 (2010) [C1]
DOI 10.1002/mawe.201000598
Citations Scopus - 3Web of Science - 3
Co-authors Thomas Fiedler, Irina Belova
2010 Öchsner A, Murch GE, Shokuhfar A, Delgado JMPQ, 'Defect and Diffusion Forum: Preface', Defect and Diffusion Forum, 297-301 (2010) [C3]
DOI 10.4028/www.scientific.net/DDF.297-301.-3
2010 Talley NJ, DeVault KR, Fleischer DE, 'Preface', Practical Gastroenterology and Hepatology: Esophagus and Stomach, (2010)
DOI 10.1002/9781444327311
2010 Talley NJ, Kane SV, Wallace MB, 'Preface', Practical Gastroenterology and Hepatology: Small and Large Intestine and Pancreas, (2010)
DOI 10.1002/9781444328417
2009 Belova IV, Murch GE, 'Analysis of kinetics regimes in grain boundary self-diffusion', Philosophical Magazine, 89 665-675 (2009) [C1]
DOI 10.1080/14786430802555714
Citations Scopus - 10Web of Science - 9
Co-authors Irina Belova
2009 Belova IV, Murch GE, Oechsner A, 'Preface', JOURNAL OF NANO RESEARCH, 7 III-III (2009) [C3]
Co-authors Marcel Maeder
2009 Belova IV, Murch GE, Öchsner A, 'Journal of Nano Research: Preface', Journal of Nano Research, 7 (2009) [C3]
DOI 10.4028/www.scientific.net/JNanoR.7.0
2009 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Formation of a hollow binary alloy nanosphere: A kinetic Monte Carlo study', Journal of Nano Research, 7 11-17 (2009) [C1]
DOI 10.4028/www.scientific.net/jnanor.7.11
Citations Scopus - 7Web of Science - 8
Co-authors Elena Levchenko, Alexander Evteev, Irina Belova
2009 Belova IV, Evteev AV, Levchenko EV, Murch GE, 'The synthesis, stability and shrinkage of hollow nanoparticles: An overview', Journal of Nano Research, 7 19-26 (2009) [C1]
DOI 10.4028/www.scientific.net/jnanor.7.19
Citations Scopus - 3Web of Science - 3
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2009 Murch GE, Evteev AV, Levchenko EV, Belova IV, 'Recent progress in the simulation of diffusion associated with hollow and bi-metallic nanoparticles', Diffusion Fundamentals, 11 1-22 (2009) [C1]
Co-authors Irina Belova, Elena Levchenko, Alexander Evteev
2009 Belova IV, Shaw D, Murch GE, 'Limits of the ratios of tracer diffusivities for diffusion by vacancy pairs: Application to compound semiconductors', Journal of Applied Physics, 106 113707 (2009) [C1]
DOI 10.1063/1.3264719
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova
2009 Hossain MF, Murch GE, Belova IV, Turner BD, 'Electronic, optical and bonding properties of CaCO3 calcite', Solid State Communications, 149 1201-1203 (2009) [C1]
DOI 10.1016/j.ssc.2009.04.026
Citations Scopus - 15Web of Science - 13
Co-authors Irina Belova
2009 Fiedler T, Loffler R, Bernthaler T, Winkler R, Belova IV, Murch GE, Ochsner A, 'Numerical analyses of the thermal conductivity of random hollow sphere structures', Materials Letters, 63 1125-1127 (2009) [C1]
DOI 10.1016/j.matlet.2008.10.030
Citations Scopus - 17Web of Science - 17
Co-authors Thomas Fiedler, Irina Belova
2009 Fiedler T, Belova IV, Ochsner A, Murch GE, 'Non-linear calculations of transient thermal conduction in composite materials', Computational Materials Science, 45 434-438 (2009) [C1]
DOI 10.1016/j.commatsci.2008.10.021
Citations Scopus - 9Web of Science - 6
Co-authors Thomas Fiedler, Irina Belova
2009 Fiedler T, Hosseini SMH, Belova IV, Murch GE, Ochsner A, 'A refined finite element analysis on the thermal conductivity of perforated hollow sphere structures', Computational Materials Science, 47 314-319 (2009) [C1]
DOI 10.1016/j.commatsci.2009.08.007
Citations Scopus - 14Web of Science - 13
Co-authors Irina Belova, Thomas Fiedler
2009 Fiedler T, Solorzano E, Garcia-Moreno F, Ochsner A, Belova IV, Murch GE, 'Computed tomography based finite element analysis of the thermal properties of cellular aluminium', Materialwissenschaft und Werkstofftechnik, 40 139-143 (2009) [C1]
DOI 10.1002/mawe.200900419
Citations Scopus - 17Web of Science - 16
Co-authors Thomas Fiedler, Irina Belova
2009 Evteev AV, Levchenko EV, Riley DP, Belova IV, Murch GE, 'Reaction of a Ni-coated Al nanoparticle to form B2-NiAl: A molecular dynamics study', Philosophical Magazine Letters, 89 815-830 (2009) [C1]
DOI 10.1080/09500830903321384
Citations Scopus - 19Web of Science - 19
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2009 Öchsner A, Murch GE, Shokuhfar A, 'Diffusion and Defect Data. Pt A Defect and Diffusion Forum: Preface', Defect and Diffusion Forum, 283-286 (2009) [C3]
DOI 10.4028/www.scientific.net/DDF.283-286.0
2009 Belova IV, Murch GE, 'Investigation of Harrison type-A, B and intermediate AB kinetics regimes in grain boundary diffusion', Diffusion and Defect Data: Pt A. Defect and Diffusion Forum, 283-286 697-704 (2009) [C1]
DOI 10.4028/www.scientific.net/ddf.283-286.697
Citations Scopus - 2Web of Science - 2
Co-authors Irina Belova
2009 Belova IV, Murch GE, Fiedler T, Ochsner A, 'Lattice-based walks and the Monte Carlo method for addressing mass, thermal and elasticity problems', Diffusion and Defect Data: Pt A. Defect and Diffusion Forum, 283-286 13-23 (2009) [C1]
DOI 10.4028/www.scientific.net/ddf.283-286.13
Citations Scopus - 6Web of Science - 5
Co-authors Thomas Fiedler, Irina Belova
2009 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Composition effect on shrinkage of hollow binary alloy nanospheres', Diffusion and Defect Data: Pt A. Defect and Diffusion Forum, 289-292 665-672 (2009) [C1]
DOI 10.4028/www.scientific.net/ddf.289-292.665
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2009 Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Surface-sandwich segregation phenomena in bimetallic Ag-Ni and Pd-Ni nanoparticles: A molecular dynamics study', Diffusion and Defect Data: Pt A. Defect and Diffusion Forum, 289-292 657-664 (2009) [C1]
DOI 10.4028/www.scientific.net/ddf.289-292.657
Citations Scopus - 1Web of Science - 1
Co-authors Elena Levchenko, Alexander Evteev, Irina Belova
2009 Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Carbon diffusion in cementite: A molecular dynamics study', Diffusion and Defect Data: Pt A. Defect and Diffusion Forum, 283-286 24-29 (2009) [C1]
DOI 10.4028/3-908454-50-6.24
Citations Scopus - 2Web of Science - 2
Co-authors Elena Levchenko, Alexander Evteev, Irina Belova
2009 Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Molecular dynamics simulation and theoretical analysis of carbon diffusion in cementite', Acta Materialia, 57 846-853 (2009) [C1]
DOI 10.1016/j.actamat.2008.10.025
Citations Scopus - 13Web of Science - 9
Co-authors Elena Levchenko, Alexander Evteev, Irina Belova
2009 Fiedler T, Solorzano E, Garcia-Moreno F, Ochsner A, Belova IV, Murch GE, 'Lattice Monte Carlo and experimental analyses of the thermal conductivity of random-shaped cellular aluminum', Advanced Engineering Materials, 11 843-847 (2009) [C1]
DOI 10.1002/adem.200900132
Citations Scopus - 18Web of Science - 15
Co-authors Irina Belova, Thomas Fiedler
2009 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Interdiffusion and surface-sandwich ordering in initial Ni-core-Pd-shell nanoparticle', Physical Chemistry Chemical Physics, 11 3233-3240 (2009) [C1]
DOI 10.1039/b822112j
Citations Scopus - 12Web of Science - 12
Co-authors Alexander Evteev, Elena Levchenko, Irina Belova
2008 Fiedler T, Ochsner A, Belova IV, Murch GE, 'Recent advances in the prediction of the thermal properties of syntactic metallic hollow sphere structures', Advanced Engineering Materials, 10 361-365 (2008) [C1]
DOI 10.1002/adem.200700335
Citations Scopus - 15Web of Science - 14
Co-authors Irina Belova, Thomas Fiedler
2008 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Shrinking kinetics by vacancy diffusion of hollow binary alloy nanospheres driven by the Gibbs-Thomson effect', Philosophical Magazine, 88 1525-1541 (2008) [C1]
DOI 10.1080/14786430802213413
Citations Scopus - 8Web of Science - 8
Co-authors Elena Levchenko, Alexander Evteev, Irina Belova
2008 Belova IV, Murch GE, 'Relations between tracer and chemical diffusion coefficients in interstitial and substitutional alloys', Materialovedenie, 39-46 (2008) [C1]
Co-authors Irina Belova
2008 Hossain MF, Sheppard L, Nowotny J, Murch GE, 'Optical properties of anatase and rutile titanium dioxide: Ab initio calculations for pure and anion-doped material', Journal of Physics and Chemistry of Solids, 69 1820-1828 (2008) [C1]
DOI 10.1016/j.jpcs.2008.01.017
Citations Scopus - 44Web of Science - 34
2008 Öchsner A, Murch GE, 'Diffusion and Defect Data. Pt A Defect and Diffusion Forum: Preface', Defect and Diffusion Forum, 273-276 (2008) [C3]
2008 Ochsner A, Belova IV, Murch GE, 'Finite element modelling of oxygen diffusion and segregation at interfaces in Ag-MgO composites: Parametric studies', Diffusion and Defect Data. Pt A Defect and Diffusion Forum, 273-276 461-466 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.273-276.461
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova
2008 Belova IV, Murch GE, Fiedler T, Ochsner A, 'The lattice Monte Carlo method for solving phenomenological mass and thermal diffusion problems', Diffusion and Defect Data. Pt A Defect and Diffusion Forum, 279 13-22 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.279.13
Citations Scopus - 9
Co-authors Thomas Fiedler, Irina Belova
2008 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Theoretical analysis and atomistic modelling of diffusion and stability of pure element hollow nanospheres and nanotubes', Diffusion and Defect Data. Pt A Defect and Diffusion Forum, 277 21-26 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.277.21
Citations Scopus - 6Web of Science - 5
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2008 Belova IV, Murch GE, 'Exploration of the transition from harrison type-A kinetics to type-B kinetics regimes in grain boundary diffusion', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 273-276 425-430 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.273-276.425
Citations Scopus - 4Web of Science - 4
Co-authors Irina Belova
2008 Belova IV, Murch GE, 'Visualization of the vacancy-wind effect occurring in chemical diffusion and ionic conductivity in solids', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 273-276 431-444 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.273-276.431
Citations Scopus - 3Web of Science - 2
Co-authors Irina Belova
2008 Belova IV, Murch GE, Samuelis D, Martin M, 'Diffusion kinetics analysis of cation diffusion in YSZ and LSGM', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 273-276 445-454 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.273-276.445
Co-authors Irina Belova
2008 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Theoretical studies of diffusion kinetics in austenite', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 273-276 455-460 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.273-276.455
Co-authors Alexander Evteev, Elena Levchenko, Irina Belova
2008 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Atomic mechanism of carbon diffusion in cementite', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 277 101-106 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.277.101
Citations Scopus - 2Web of Science - 2
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2008 Fiedler T, Ochsner A, Belova IV, Murch GE, 'Thermal conductivity enhancement of compact heat sinks using cellular metals', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 273-276 222-226 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.273-276.222
Citations Scopus - 14Web of Science - 14
Co-authors Thomas Fiedler, Irina Belova
2008 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Modelling of the formation of Pd-Ni alloy nanoparticles by interdiffusion', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 277 207-212 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.277.207
Citations Scopus - 4Web of Science - 4
Co-authors Elena Levchenko, Alexander Evteev, Irina Belova
2008 Fiedler T, Ochsner A, Belova IV, Murch GE, 'Calculations of the effective thermal conductivity in a model of syntactic metallic hollow sphere structures using a lattice Monte Carlo method', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 273-276 216-221 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.273-276.216
Citations Scopus - 11Web of Science - 9
Co-authors Thomas Fiedler, Irina Belova
2008 Belova IV, Murch GE, 'In-diffusion and out-diffusion of oxygen from a composite containing random traps', Diffusion and Defect Data Pt.B: Solid State Phenomena, 139 35-40 (2008) [C1]
DOI 10.4028/www.scientific.net/SSP.139.35
Co-authors Irina Belova
2008 Tikare V, Murch G, Soisson F, Kang JK, 'Theory, Modeling and Numerical Simulation of Multi-Physics Materials Behavior: Preface', Solid State Phenomena, 139 (2008) [C3]
2007 Belova IV, Murch GE, Samuelis D, Martin M, 'Collective and tracer diffusion via a defect cluster in LSGM', Defect and Diffusion Forum, 263 81-86 (2007) [C1]
DOI 10.4028/www.scientific.net/DDF.263.81
Citations Scopus - 4Web of Science - 4
Co-authors Irina Belova
2007 Belova IV, Murch GE, 'Interdiffusion data in multicomponent alloys as a source of quantitative fundamental diffusion information', Defect and Diffusion Forum, 263 1-10 (2007) [C1]
DOI 10.4028/www.scientific.net/DDF.263.1
Co-authors Irina Belova
2007 Belova IV, Murch GE, 'Monte Carlo modelling of the effective diffusivity of a composite material', Defect and Diffusion Forum, 261-262 103-108 (2007) [C1]
DOI 10.4028/www.scientific.net/DDF.261-262.103
Citations Scopus - 4
Co-authors Irina Belova
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Stability and shrinkage by diffusion of hollow nanotubes', Diffusion and Defect Data. Pt A Defect and Diffusion Forum, 266 39-47 (2007) [C1]
DOI 10.4028/www.scientific.net/DDF.266.39
Citations Scopus - 4Web of Science - 4
Co-authors Irina Belova, Elena Levchenko, Alexander Evteev
2007 Belova IV, Ochsner A, Muthubandara NU, Murch GE, 'Modelling of oxygen diffusion and segregation at interfaces in Ag-MgO composites', Diffusion and Defect Data. Pt A Defect and Diffusion Forum, 266 29-38 (2007) [C1]
DOI 10.4028/www.scientific.net/DDF.266.29
Citations Scopus - 2Web of Science - 3
Co-authors Irina Belova
2007 Belova IV, Murch GE, 'Non-random interaction of vacancies with atoms during interdiffusion and ionic conductivity in materials', Diffusion and Defect Data. Pt A Defect and Diffusion Forum, 266 119-130 (2007) [C1]
DOI 10.4028/www.scientific.net/DDF.266.119
Co-authors Irina Belova
2007 Kozubski R, Murch GE, Zi¿ba P, 'Diffusion and Defect Data Pt. B: Solid State Phenomena - Preface', Solid State Phenomena, 129 (2007)
2007 Belova IV, Murch GE, 'Expressions for vacancy-wind factors occurring in interdiffusion in ternary and higher-order alloys', Acta Materialia, 55 627-634 (2007) [C1]
DOI 10.1016/j.actamat.2006.08.055
Citations Scopus - 5Web of Science - 4
Co-authors Irina Belova
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics study of carbon diffusion in cementite', Diffusion Fundamentals, 15.1-15.2 (2007) [C1]
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics study of diffusion in palladium hollow nanosphere and nanotubes', Diffusion Fundamentals, 19.1-19.2 (2007) [C1]
Co-authors Alexander Evteev, Irina Belova, Elena Levchenko
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Formation of a surface-sandwich structure in Pd-Ni nanoparticles by interdiffusion: Atomistic modelling', Diffusion Fundamentals, 18.1-18.2 (2007) [C1]
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Analytical and kinetic Monte-Carlo study shrinkage by vacancy diffusion of hollow nanospheres and nanotubes', Diffusion Fundamentals, 17.1-17.2 (2007) [C1]
Co-authors Alexander Evteev, Irina Belova, Elena Levchenko
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Carbon diffusion in austenite: Computer simulation and theoretical analysis', Diffusion Fundamentals, 16.1-16.2 (2007) [C1]
Co-authors Alexander Evteev, Irina Belova, Elena Levchenko
2007 Belova IV, Murch GE, Fiedler T, Oechsner A, 'The Lattice Monte Carlo Method for Solving Phenomenological Mass and Heat Transport Problems', Diffusion Fundamentals, 4 15.1-15.23 (2007) [C1]
Co-authors Thomas Fiedler, Irina Belova
2007 Belova IV, Samijelis D, Martin M, Murch GE, 'Analysis of the demixing of yttria-stabilized zirconia in an electric field for different diffusion mechanisms', Philosophical Magazine, 87 1447-1463 (2007) [C1]
DOI 10.1080/14786430600835805
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Kinetic and molecular dynamics analysis of carbon diffusion in austenite', Philosophical Magazine, 87 4335-4357 (2007) [C1]
DOI 10.1080/14786430701530982
Citations Scopus - 2Web of Science - 1
Co-authors Elena Levchenko, Alexander Evteev, Irina Belova
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Shrinking kinetics by vacancy diffusion of a pure element hollow nanosphere', Philosophical Magazine, 87 3787-3796 (2007) [C1]
DOI 10.1080/14786430601103005
Citations Scopus - 19Web of Science - 19
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2007 Belova IV, Allnatt AR, Murch GE, 'Interdiffusion in strongly ionic insulating compounds: The Nernst-Planck equation', Philosophical Magazine, 87 4169-4180 (2007) [C1]
DOI 10.1080/14786430701531014
Co-authors Irina Belova
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Stability of hollow nanospheres: A molecular dynamics study', Solid State Phenomena: Proceedings of the Symposium: Multiscale Kinetic Modelling of Materials, 125-130 (2007) [C1]
Citations Scopus - 5Web of Science - 6
Co-authors Alexander Evteev, Elena Levchenko, Irina Belova
2007 Hossain MF, Murch GE, Sheppard L, Nowotny J, 'Reactivity of ideal and defected rutile TiO2 (110) surface with oxygen', Advances in Applied Ceramics, 106 95-100 (2007) [C1]
DOI 10.1179/174367607X156052
Citations Scopus - 7Web of Science - 6
2007 Murch GE, Hossain MF, Sheppard L, Nowotny J, 'Ab initio electronic structure calculation of oxygen vacancies in rutile titanium dioxide', Solid State Ionics, 178 319-325 (2007) [C1]
DOI 10.1016/j.ssi.2006.12.015
Citations Scopus - 23Web of Science - 20
2007 Fielder T, Ochsner A, Muthubandara NU, Belova IV, Murch GE, 'Calculation of the Effective Thermal Conductivity in Composites using Finite Element and Monte Carlo Methods', Materials Science Forum, 553 51-56 (2007) [C1]
DOI 10.4028/www.scientific.net/MSF.553.51
Citations Scopus - 13Web of Science - 10
Co-authors Irina Belova, Thomas Fiedler
2006 Belova IV, Murch GE, 'Sum-rule relations among phenomenological coefficients: Application to segregation and chemical diffusion in multicomponent alloys and mixed ceramic oxides', Defect and Diffusion Forum, 249 (Diffusion in Solids - Past, Present and Future) 17-26 (2006) [C1]
DOI 10.4028/www.scientific.net/DDF.249.17
Co-authors Irina Belova
2006 Belova IV, Brown MJ, Murch GE, 'Calculation of phenomenological coefficients by Monte Carlo computer simulation methods', Defect and Diffusion Forum, 249 (Diffusion in Solids - Past, Present and Future) 27-34 (2006) [C1]
DOI 10.4028/www.scientific.net/DDF.249.27
Co-authors Irina Belova
2006 Hossain MF, Murch GE, Sheppard L, Nowotny J, 'The effect of defect disorder on the electronic structure of rutile TiO2-x', Defect and Diffusion Forum, 251-252 (Diffusion and Defect Data. Pt A) 1-12 (2006) [C1]
DOI 10.4028/www.scientific.net/DDF.251-252.1
Citations Scopus - 4
2006 Gosain KL, Chaturvedi DK, Belova IV, Murch GE, 'Six-jump-cycle mechanism for collective correlations in nonstoichiometric intermetallic compounds', Defect and Diffusion Forum, 251-252 (Diffusion and Defect Data. Pt A) 59-68 (2006) [C1]
DOI 10.4028/www.scientific.net/DDF.251-252.59
Co-authors Irina Belova
2006 Gosain KL, Chaturvedi DK, Belova IV, Murch GE, 'Vacancy-wind factors and collective correlation factors in nonstoichiometric B2 intermetallic compounds', Defect and Diffusion Forum, 251-252 (Diffusion and Defect Data. Pt A) 69-78 (2006) [C1]
DOI 10.4028/www.scientific.net/DDF.251-252.69
Citations Scopus - 1
Co-authors Irina Belova
2006 Belova IV, Murch GE, 'Phenomenological Aspects of Grain Boundary Diffusion', Defect and Diffusion Forum, 258-260 483-490 (2006) [C1]
DOI 10.4028/www.scientific.net/DDF.258-260.483
Citations Scopus - 1Web of Science - 2
Co-authors Irina Belova
2006 Belova IV, Murch GE, 'Analysis of Interdiffusion and Intrinsic Diffusion in Multicomponent Alloys to Obtain Information about Diffusion Mechanisms', Defect and Diffusion Forum, 258-260 237-246 (2006) [C1]
DOI 10.4028/www.scientific.net/DDF.258-260.237
Co-authors Irina Belova
2006 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular Dynamics Study of Carbon Diffusion in Austenite', Defect and Diffusion Forum, 258-260 253-258 (2006) [C1]
DOI 10.4028/www.scientific.net/DDF.258-260.253
Co-authors Elena Levchenko, Irina Belova, Alexander Evteev
2006 Belova IV, Sauelis D, Martin M, Murch GE, 'Cation Diffusion and Demixing in Yttria Stabilized Zirconia: Comparison of Assumptions of Constant Electric Field and Constant Current', Defect and Diffusion Forum, 258-260 247-252 (2006) [C1]
DOI 10.4028/www.scientific.net/DDF.258-260.247
Co-authors Irina Belova
2006 Belova IV, Murch GE, 'Enhancement of solute self-diffusion in fcc alloys', Philosophical Magazine, 86 1615-1629 (2006) [C1]
DOI 10.1080/14786430500437470
Co-authors Irina Belova
2006 Belova IV, Samuelis D, Martin M, Murch GE, 'Correlation effects for cation diffusion via vacancy-pairs in fluorite-related oxides', Philosophical Magazine, 86 3559-3567 (2006) [C1]
DOI 10.1080/14786430600669808
Co-authors Irina Belova
2006 Allnatt AR, Belova IV, Murch GE, 'Atom transport in random two sublattice structures: Analogue of the random alloy sum rule', Philosophical Magazine, 86 5837-5846 (2006) [C1]
DOI 10.1080/14786430600835821
Co-authors Irina Belova
2006 Belova IV, Murch GE, 'Analysis of Interdiffusion Data in Multicomponent Alloys to Extract Fundamental Diffusion Information', Journal of Phase Equilibria and Diffusion, 27 629-637 (2006) [C1]
DOI 10.1361/154770306X153657
Citations Scopus - 6Web of Science - 6
Co-authors Irina Belova
2006 Belova IV, Murch GE, 'Extraction of Diffusion Correlation Information from Tracer, Interdiffusion and Ionic Conductivity Data', Advances in Science and Technology, 46 54-62 (2006) [C1]
DOI 10.4028/www.scientific.net/AST.46.54
Co-authors Irina Belova
2006 Belova IV, Murch GE, Samuelis D, Martin M, 'Contribution to the Theory of Demixing of Yttrium in Yttria-Stabilized-Zirconia in an Electric Field', Advances in Science and Technology, 46 42-47 (2006) [C1]
DOI 10.4028/www.scientific.net/AST.46.42
Co-authors Irina Belova
2005 Belova IV, Murch GE, 'Calculation of the effective conductivity and diffusivity in composite solid electrolytes', Journal of Physics and Chemistry of Solids, 66 722-728 (2005) [C1]
DOI 10.1016/j.jpcs.2004.09.009
Citations Scopus - 16Web of Science - 14
Co-authors Irina Belova
2005 Sandhu IS, Chaturvedi DK, Belova IV, Murch GE, 'Collective Correlation Factors In Random Non-Stoichiometric Intermetallic Compounds', Defect and Diffusion Forum, 247-248 1-8 (2005) [C1]
DOI 10.4028/www.scientific.net/DDF.247-248.1
Citations Scopus - 1
Co-authors Irina Belova
2005 Gosain KL, Chaturvedi DK, Belova IV, Murch GE, 'Tracer Diffusion by Six-Jump-Cycles in Nonstoichiometric B2 Intermetallic Compounds', Defect and Diffusion Forum, 247-248 9-19 (2005) [C1]
DOI 10.4028/www.scientific.net/DDF.247-248.9
Citations Scopus - 1
Co-authors Irina Belova
2005 Sandhu IS, Chaturvedi DK, Belova IV, Murch GE, 'Tracer Diffusion in Nonstoichiometric Intermetallic Compounds with Random Mixing on Each Sublattice', Defect and Diffusion Forum, 247-248 21-28 (2005) [C1]
DOI 10.4028/www.scientific.net/DDF.247-248.21
Co-authors Irina Belova
2005 Hossain MF, Riley DP, Murch GE, 'Ab initio calculations of the electronic structure and bonding characteristics of LaB6', Physical Review B, 72 - (2005) [C1]
DOI 10.1103/PhysRevB.72.235101
Citations Scopus - 24Web of Science - 16
2005 Belova IV, Murch GE, Filipek R, Danielewski M, 'Theoretical analysis of experimental tracer and interdiffusion data in Cu-Ni-Fe alloys', Acta Materialia, 53 4613-4622 (2005) [C1]
DOI 10.1016/j.actamat.2005.06.015
Citations Scopus - 8Web of Science - 6
Co-authors Irina Belova
2005 Belova IV, Murch GE, 'Analysis of vacancies produced at non-equilibrium concentrations by interdiffusion', Philosophical Magazine, 85 1191-1203 (2005) [C1]
DOI 10.1080/14786430412331331998
Citations Scopus - 6Web of Science - 6
Co-authors Irina Belova
2005 Belova IV, Brown MJ, Murch GE, 'Computer simulation of the phenomenological transport coefficient in the lattice gas and Fick's First Law', Philosophical Magazine, 85 1495-1506 (2005) [C1]
DOI 10.1080/14786430500036637
Co-authors Irina Belova
2005 Belova IV, Brown MJ, Allnatt AR, Murch GE, 'Diffusion kinetics of isolated and paired species: a Monte Carlo study', Philosophical Magazine, 85 2787-2798 (2005) [C1]
DOI 10.1080/14786430500155296
Citations Scopus - 3Web of Science - 3
Co-authors Irina Belova
2005 Belova IV, Murch GE, 'Analysis of carbon diffusion in austenite revisited', Philosophical magazine, 85 4515-4523 (2005) [C1]
DOI 10.1080/14786430500300058
Citations Scopus - 8Web of Science - 8
Co-authors Irina Belova
2005 Belova IV, Murch GE, 'Analysis of the formation of hollow nanocrystals: Theory and Monte Carlo simulation', Journal of Phase Equilibria and Diffusion, 26 430-434 (2005) [C1]
DOI 10.1007/s11669-005-0030-7
Citations Scopus - 10Web of Science - 11
Co-authors Irina Belova
2005 Belova IV, Murch GE, 'Sum-rule relationships among phenomenological coefficients: Simplifications for the analysis of segregation and chemical diffusion', Journal of Phase Equilibria and Diffusion, 26 503-509 (2005) [C1]
DOI 10.1007/s11669-005-0042-3
Co-authors Irina Belova
2005 Murch GE, Belova IV, 'Phenomenological Coefficients in Solid-State Diffusion: an Introduction', Diffusion-Fundamentals, 2 8.1-8.13 (2005) [C1]
Co-authors Irina Belova
2004 Belova IV, Murch GE, 'Relationships between chemical and tracer diffusion coefficients in strongly ionic crystals', Zeitschrift Fur Metallkunde, 95 870-875 (2004) [C1]
Co-authors Irina Belova
2004 Belova IV, Brown MJ, Murch GE, 'Analysis of kinetic demixing of (A,B)O oxides in an electric field and an oxygen potential gradient', Solid State ionics, 167 175-182 (2004) [C1]
DOI 10.1016/j.ssi.2003.12.013
Citations Scopus - 8Web of Science - 7
Co-authors Irina Belova
2004 Brown MJ, Belova IV, Murch GE, 'Prediction of high temperature demixing in oxides in an electric field or an oxygen potential gradient', Journal of Materials Processing Technology, 771-777 (2004) [C1]
DOI 10.1016/j.jmatprotec.2004.04.351
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova
2004 Belova IV, Murch GE, 'Monte Carlo simulation of the effective thermal conductivity in two-phase material', Journal of Materials Processing Technology, 153-154 741-745 (2004) [C1]
DOI 10.1016/j.jmatprotec.2004.04.191
Citations Scopus - 17Web of Science - 15
Co-authors Irina Belova
2004 Belova IV, Murch GE, 'The Effective Diffusivity in Two-Phase Material', Defect and Diffusion Forum, 218-220 79-86 (2004) [C1]
Citations Scopus - 5Web of Science - 5
Co-authors Irina Belova
2004 Belova IV, Murch GE, 'Calculation of tracer and chemical diffusion coefficients in the intermetallic compound B-AgMg', Defect and Diffusion Forum, 224-225 45-52 (2004) [C1]
DOI 10.4028/www.scientific.net/DDF.224-225.45
Citations Scopus - 2Web of Science - 2
Co-authors Irina Belova
2004 Belova IV, Murch GE, 'A simple iterative method for analysing experimental tracer diffusivities in concentrated binary alloys', Defect and Diffusion Forum, 224-225 127-134 (2004) [C1]
DOI 10.4028/www.scientific.net/DDF.224-225.127
Citations Scopus - 4Web of Science - 4
Co-authors Irina Belova
2004 Belova IV, Brown MJ, Murch GE, 'Analysis of kinetic demixing in a mixed oxide (A,B)O in an oxygen potential gradient', Acta Materialia, 51 1821-1826 (2004) [C1]
DOI 10.1016/S1359-6454(02)00580-3
Citations Scopus - 8Web of Science - 8
Co-authors Irina Belova
2004 Belova IV, Murch GE, 'Analysis of the effective diffusivity in nanocrystalline materials', Journal of Metastable and Nanocrystalline Materaisl, 19 25-34 (2004) [C1]
DOI 10.4028/www.scientific.net/JMNM.19.25
Citations Scopus - 12
Co-authors Irina Belova
2004 Belova IV, Murch GE, 'The sum-rule relation among phenomenological transport coefficients and its consequences in the analysis of collective diffusion problems', Physical Chemistry Chemical Physics: Journal of European Chemical Societies, 3620-3624 (2004) [C1]
DOI 10.1039/b316170f
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova
2004 Belova IV, Murch GE, 'Analysis of composition profiles to obtain interdiffusion coefficients in binary intermetallic compounds', Philosophical Magazine, 84 3655-3662 (2004) [C1]
DOI 10.1080/14786430412331293559
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova
2004 Belova IV, Murch GE, 'The effective diffusivity in polycrystalline material in the presence of interphase boundaries', Philosophical Magazine, 84 17-28 (2004) [C1]
DOI 10.1080/14786430310001616054
Citations Scopus - 27Web of Science - 24
Co-authors Irina Belova
2004 Brown MJ, Belova IV, Murch GE, 'Calculation of enhancement factors for solute diffusion in the fcc dilute random alloy', Philosophical Magazine, 84 1105-1112 (2004) [C1]
DOI 10.1080/14786430310001646754
Citations Scopus - 3Web of Science - 3
Co-authors Irina Belova
2004 Belova IV, Murch GE, 'Analysis of interdiffusion via vacancy-pairs in strongly ionic solids', Philosophical Magazine, 84 3637-3653 (2004) [C1]
DOI 10.1080/14786430412331293540
Citations Scopus - 6Web of Science - 4
Co-authors Irina Belova
2003 Belova IV, Murch GE, 'Solvent diffusion kinetics in the dilute random alloy', Philosophical Magazine, 83 393-399 (2003) [C1]
DOI 10.1080/0141861021000025838
Citations Scopus - 10Web of Science - 11
Co-authors Irina Belova
2003 Belova IV, Murch GE, 'Correlated tracer diffusion in an ordered interface structure', Philosophical Magazine, 83 2399-2407 (2003) [C1]
DOI 10.1080/0141861031000109582
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova
2003 Belova IV, Murch GE, 'Computer simulation of solute-enhanced diffusion kinetics in dilute fcc alloys', Philosophical Magazine, 83 377-392 (2003) [C1]
DOI 10.1080/0141861021000025810
Citations Scopus - 8Web of Science - 8
Co-authors Irina Belova
2003 Brown MJ, Belova IV, Murch GE, 'Prediction of kinetic demixing in a quaternary mixed oxide (A, B, C)O in an oxygen potential gradient', Philosophical Magazine, 83 1855-1865 (2003) [C1]
DOI 10.1080/1478643031000107096
Citations Scopus - 4Web of Science - 4
Co-authors Irina Belova
2003 Belova IV, Murch GE, 'Diffusion in nanocrystalline materials', Journal of Physics and Chemistry of Solids, 64 873-878 (2003) [C1]
DOI 10.1016/S0022-3697(02)00421-3
Citations Scopus - 43Web of Science - 31
Co-authors Irina Belova
2003 Murch GE, Belova IV, 'The Lattice Model for Addressing Phenomenological Diffusion Problems Associated with Grain Boundaries', Interface Science, 11 91-97 (2003) [C1]
DOI 10.1023/A:1021591108276
Citations Scopus - 8Web of Science - 14
Co-authors Irina Belova
2003 Belova IV, Murch GE, 'Relations between interdiffusivities and intrinsic diffusivities in ternary and quaternary alloys', Philosophical Magazine Letters, 83 73-77 (2003) [C1]
DOI 10.1080/0950083021000054904
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova
2003 Belova IV, Murch GE, 'Erratum: Tracer diffusion in the concentrated lattice gas with self-excitation (Defect and Diffusion Forum (2002) 210-212 (55))', Defect and Diffusion Forum, 218-220 86-86 (2003)
2003 Belova IV, Murch GE, 'The Six-Jump Cycle Diffusion Mechanism in Non-Stoichiometric B2 Intermetallics: the Vacancy-Wind Factor', Defect and Diffusion Forum, 213-215 95-106 (2003) [C1]
DOI 10.4028/www.scientific.net/DDF.213-215.95
Citations Scopus - 3Web of Science - 3
Co-authors Irina Belova
2002 Belova IV, Murch GE, 'A new analysis of diffusion in ternary alloys: application to f.c.c Fe-Ni-Cr alloys', ACTA Materialia, 50 4617-4627 (2002) [C1]
DOI 10.1016/S1359-6454(02)00312-9
Citations Scopus - 7Web of Science - 7
Co-authors Irina Belova
2002 Belova IV, Murch GE, 'A theory of tracer diffusion in non-stoichiometric intermetallic compounds', Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 82 269-283 (2002) [C1]
Citations Scopus - 17Web of Science - 12
Co-authors Irina Belova
2002 Belova IV, Murch GE, 'Calculation of the phenomenological coefficients for diffusion by six jump cycles in non-stoichiometric intermetallic compounds', Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 82 285-296 (2002) [C1]
Citations Scopus - 11Web of Science - 6
Co-authors Irina Belova
2002 Belova IV, Gentle DS, Murch GE, 'Diffusion kinetics for divacancies in the bcc lattice', Philosophical Magazine Letters, 82 37-41 (2002) [C1]
Citations Scopus - 3Web of Science - 3
Co-authors Irina Belova
2002 Belova IV, Murch GE, 'Collective and tracer diffusion kinetics in the ternary random alloy', Journal of Physics: Condensed Matter, 14 6897-6907 (2002) [C1]
DOI 10.1088/0953-8984/14/28/301
Citations Scopus - 7Web of Science - 7
Co-authors Irina Belova
2002 Belova IV, Murch GE, 'Diffusion in substitutionally disordered B2 intermetallics', Journal of Physics: Condensed Matter, 14 9563-9577 (2002) [C1]
Citations Scopus - 10Web of Science - 5
Co-authors Irina Belova
2002 Belova IV, Murch GE, 'Tracer diffusion in the concentrated lattice gas with self-excitation', Defect and Diffusion Forum, 210-212 55-59 (2002) [C1]
Citations Web of Science - 1
Co-authors Irina Belova
2002 Belova IV, Murch GE, 'Determination of atom-vacancy exchange-frequency ratios from experimental intrinsic diffusivities in disordered binary and ternary alloys', Defect and Diffusion Forum, 203-205 125-130 (2002) [C1]
Citations Scopus - 2Web of Science - 2
Co-authors Irina Belova
2001 Belova IV, Murch GE, 'The transition from Harrison type-B to type-A kinetics in grain-boundary tracer diffusion', Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 81 2447-2455 (2001) [C1]
Citations Scopus - 28Web of Science - 22
Co-authors Irina Belova
2001 Belova IV, Murch GE, 'A new interpretation of tracer diffusion in Co-Ga', Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 81 95-108 (2001) [C1]
Citations Scopus - 2Web of Science - 2
Co-authors Irina Belova
2001 Sharma S, Chaturvedi DK, Belova IV, Murch GE, 'Phenomenological coefficients for transport by dumbbell mechanisms in a dilute random bcc alloy', Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 81 431-446 (2001) [C1]
Citations Scopus - 3Web of Science - 3
Co-authors Irina Belova
2001 Murch GE, Belova IV, 'The vacancy wind effect for chemical diffusion in intermetallic compounds', Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 81 83-94 (2001) [C1]
Citations Scopus - 6Web of Science - 8
Co-authors Irina Belova
2001 Belova IV, Murch GE, 'Behaviour of the diffusion vacancy-wind factors in the concentrated random alloy', Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 81 1749-1758 (2001) [C1]
DOI 10.1080/01418610010008488
Citations Scopus - 15Web of Science - 16
Co-authors Irina Belova
2001 Belova IV, Murch GE, 'Diffusion in the intermetallic compound CoGa', Materials Processing Technology, 118 79-81 (2001) [C1]
Co-authors Irina Belova
2001 Murch GE, Belova IV, 'Diffusion in nickel-based intermetallic compounds taking the L12 structure', Materials Processing Technology, 118 82-87 (2001) [C1]
Co-authors Irina Belova
2001 Belova IV, Murch GE, 'Analysis of intrinsic diffusivities in multicomponent alloys', Philosophical Magazine Letters, 81 661-666 (2001) [C1]
DOI 10.1080/09500830110062834
Citations Scopus - 13Web of Science - 11
Co-authors Irina Belova
2001 Belova IV, Murch GE, 'Kinetics of diffusion via divacancies in a concentrated random fcc alloy', Philosophical Magazine Letters, 81 101-108 (2001) [C1]
Co-authors Irina Belova
2001 Belova IV, Murch GE, 'Analysis of the Hart Equation in Fine-Grained Material', Defect and Diffusion Forum, 194-199 1223-1226 (2001) [C1]
Citations Scopus - 7Web of Science - 6
Co-authors Irina Belova
2001 Belova IV, Murch GE, 'A Self-Consitent Theory of Atomic Transport in the B2 Ordered Alloy: The Sum Rule', Defect and Diffusion Forum, 194-199 547-552 (2001) [C1]
Citations Scopus - 6Web of Science - 4
Co-authors Irina Belova
2001 Murch GE, Belova IV, 'Chemical Diffusion in Ni3A1', Defect and Diffusion Forum, 194-199 541-546 (2001) [C1]
Citations Scopus - 3Web of Science - 4
Co-authors Irina Belova
2001 Murch GE, Belova IV, 'The Vacancy Wind Effect in Intermetallic Compounds', Defect and Diffusion Forum, 194-199 533-540 (2001) [C1]
Citations Scopus - 5Web of Science - 4
Co-authors Irina Belova
2001 Belova IV, Murch GE, 'The Six-Jump-Cycle Mechanism in Intermetallic Compounds: Extension to Nonstoichiometric Compositions', Defect and Diffusion Forum, 194-199 411-416 (2001) [C1]
Co-authors Irina Belova
2001 Belova IV, Murch GE, 'Kinetic theory and simulation of the antistructural bridge mechanism in ordered alloys/intermetallic compounds of the B2, L12 and D03 structure', Metal Physics and Advanced Technologies, 19 55-62 (2001)

In this paper we make use of a number of simple models for diffusion in B2, L12 and D03 model structures in order to determine the percolation thresholds of the antistructural bri... [more]

In this paper we make use of a number of simple models for diffusion in B2, L12 and D03 model structures in order to determine the percolation thresholds of the antistructural bridge (ASB) mechanism. The tracer correlation factor, which is calculated in an adaptation to the ordered alloy of Manning's random alloy formalism, is used to determine the percolation thresholds. Monte Carlo computer simulation is used to provide an exact reference. It is shown that in the B2 structure the ASB mechanism requires substantial levels of disorder in order to operate. In the L12 and D03 structures it is possible for the ASB mechanism to be initiated at a certain composition and low level of disorder only to disappear at higher levels of disorder. In the L12 structure a new mechanism was found which closely couples the diffusion of both components and seems to explain certain features of diffusion in Ni3Al and Ni3Ga.

Co-authors Irina Belova
2001 Belova IV, Murch GE, 'Kinetic theory and simulation of impurity diffusion in intermetallic compounds of the B2 and L12 structures', Metal Physics and Advanced Technologies, 19 63-69 (2001) [C1]

In this paper we present a formalism for diffusion kinetics of impurities in intermetallic compounds taking the common B2 and L12 structures. For the B2 structure, where only inte... [more]

In this paper we present a formalism for diffusion kinetics of impurities in intermetallic compounds taking the common B2 and L12 structures. For the B2 structure, where only intersublattice jumps occur we show that the impurity diffusion coefficient can be related generally to the host atom diffusion coefficients. If the sublattice preference is also known then this reduces further to a simple relation involving the host atom diffusion coefficient of the preferred sublattice. Application is made to impurity diffusion in CuZn. For A3B alloys with the L12 structure where both inter- and intrasublattice jumps occur we focus on some likely cases. If the impurity diffuses by intrasublattice jumps (as does A) then its diffusion coefficient can be related easily to the A atom diffusion coefficient. On the other hand if the impurity diffuses by intersublattice jumps (as does B) then the relationships involves both diffusion coefficients. The results are tested by Monte Carlo simulation.

Co-authors Irina Belova
2000 Belova IV, Murch GE, 'The contribution of the tracer correlation factor to the diffusion activation energy in intermetallic compounds', Journal of Physics and Chemistry of Solids, 61 1755-1760 (2000) [C1]
Citations Scopus - 5Web of Science - 5
Co-authors Irina Belova
2000 Belova IV, Murch GE, 'Collective diffusion in the binary random alloy', Philosophical Magazine A, 80 599-607 (2000) [C1]
Citations Scopus - 32Web of Science - 31
Co-authors Irina Belova
2000 Belova IV, Murch GE, 'Tracer correlation factors in the random alloy', Philosophical Magazine A, 80 1469-1479 (2000) [C1]
Citations Scopus - 25Web of Science - 26
Co-authors Irina Belova
2000 Belova IV, Murch GE, 'Diffusion correlation effects and the isotope effect in intermetallic compounds', Philosophical Magazine A, 80 2073-2081 (2000) [C1]
Citations Scopus - 4Web of Science - 4
Co-authors Irina Belova
2000 Murch GE, Belova IV, 'Tracer diffusion and the isotope effect in the binary random alloy', Philosophical Magazine A, 80 2365-2373 (2000) [C1]
Citations Scopus - 5Web of Science - 8
Co-authors Irina Belova
2000 Belova IV, Murch GE, 'The contribution of the six-jump cycle to tracer diffusion in a two-dimensional ordered structure', Philosophical Magazine A, 80 1481-1493 (2000) [C1]
Citations Scopus - 8Web of Science - 9
Co-authors Irina Belova
2000 Murch GE, Belova IV, 'Chemical diffusion by vacancy pairs in intermetallic compounds with the B2 structure', Philosophical Magazine Letters, 80 569-575 (2000) [C1]
Citations Scopus - 3Web of Science - 2
Co-authors Irina Belova
2000 Sharma S, Chaturvedi DK, Belova IV, Murch GE, 'Atomic diffusion by the dumb-bell mechanism in a concentrated random bcc alloy', Philosphical Magazine Letters, 80 65-72 (2000) [C1]
Citations Scopus - 11Web of Science - 9
Co-authors Irina Belova
2000 Murch GE, Belova IV, 'Tracer Correlation, collective correlation and vacancy wind factors in intermetallics taking the B2 structure', Defect and Fiffusion Forum, 179-180 1-16 (2000) [C1]
Citations Scopus - 3Web of Science - 2
Co-authors Irina Belova
1999 Belova IV, Murch GE, 'Relating tracer and chemical diffusion coefficients in intermetallic compounds', The Journal of Physics and Chemistry of Solids, 60 2023-2029 (1999) [C1]
Citations Scopus - 16Web of Science - 15
Co-authors Irina Belova
1999 Belova IV, Murch GE, 'Tracer diffusion via bound vacancy pairs in cation mixed ionic crystals', The Philosophical Magazine, 79 2681-2690 (1999) [C1]
Citations Scopus - 4Web of Science - 6
Co-authors Irina Belova
1999 Belova IV, Murch GE, 'Limits of the tracer diffusion coefficient ratio in highly ordered alloys and intermetallic compounds', The Philosophical Magazine A, 79 193-202 (1999) [C1]
Citations Scopus - 12Web of Science - 6
Co-authors Irina Belova
1999 Belova IV, Murch GE, 'Diffusion kinetics for migration by vacancy pairs in ionic crystals', The Philosophical Magazine A, 79 1509-1515 (1999) [C1]
Citations Scopus - 7Web of Science - 10
Co-authors Irina Belova
1999 Belova IV, Murch GE, 'Kinetic theory and simulation of the antistructural bridge mechanism in ordered alloys/intermetallic compounds of the B2, L1(2) and D0(3) structure', METALLOFIZIKA I NOVEISHIE TEKHNOLOGII, 21 36-40 (1999)
Citations Scopus - 2Web of Science - 2
Co-authors Irina Belova
1999 Belova IV, Murch GE, 'Kinetic theory and simulation of impurity diffusion in intermetallic compounds of the B2 and L1(2) structures', METALLOFIZIKA I NOVEISHIE TEKHNOLOGII, 21 41-45 (1999)
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova
1999 Murch GE, Belova IV, 'Diffusion mechanisms in intermetallic compounds', Materials Forum, 23 179-188 (1999) [C1]
Co-authors Irina Belova
1999 Belova IV, Murch GE, 'Analysis of diffusion mechanisms in Ni_3Al, Ni_3Ge, and Ni_3Ga', Defect and Diffusion Forum, 177 59-68 (1999) [C1]
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova
1999 Murch GE, Belova IV, 'Kinetic Theory of diffusion by vacancy pairs in mixed ionic compounds with the CsCl structure', Radiation Efeects and Defects in Solids, 151 21-27 (1999) [C1]
Co-authors Irina Belova
1998 Belova IV, Murch GE, 'An Interpretation of Tracer Diffusion in B-Cu-Zn', Acta Metallurgica Inc., 46 849-855 (1998) [C1]
Citations Scopus - 11Web of Science - 9
Co-authors Irina Belova
1998 Belova IV, Murch GE, 'The anti-structural bridge mechanism for diffusion in ordered alloys of the B2 type', Intermetallics, 6 115-119 (1998) [C1]
Citations Scopus - 29Web of Science - 21
Co-authors Irina Belova
1998 Belova IV, Murch GE, 'Percolation and the anti-structural bridge mechanism for diffusion in ordered alloys of the L12 type', Intermetallics, 6 403-411 (1998) [C1]
Citations Scopus - 8Web of Science - 6
Co-authors Irina Belova
1998 Belova IV, Murch GE, 'Tracer diffusion in alloys with the DO3 structure: application to Fe3Si and Cu3Sn', Journal of Physics and Chemistry of Solids, 59 1-6 (1998) [C1]
Citations Scopus - 14Web of Science - 11
Co-authors Irina Belova
1998 Belova IV, Murch GE, 'Test of the validity of the Darken/Manning relation for diffusion in ordered alloys taking the L12 structure', Philosophical Magazine A, 78 1085-1092 (1998) [C1]
Citations Scopus - 22Web of Science - 24
Co-authors Irina Belova
1998 Belova IV, Murch GE, 'Theory of diffusion kinetics in the bcc random alloy', Philosophical Magazine A, 77 1053-1065 (1998) [C1]
Citations Scopus - 2Web of Science - 2
Co-authors Irina Belova
1997 Belova IV, Murch GE, 'A Theory of Diffusion in the L12 Structure II: Tracer and Chemical Diffusion', Journal of Physics and Chemistry of Solids, 58 311-318 (1997) [C1]
Citations Scopus - 15Web of Science - 13
Co-authors Irina Belova
1997 Belova IV, Murch GE, 'A Theory of Diffusion in the L12 Structure I: Tracer Correlation Effects', Journal of Physics and Chemistry of Solids, 58 301-309 (1997) [C1]
Citations Scopus - 17Web of Science - 14
Co-authors Irina Belova
1997 Belova IV, Murch GE, 'Tracer Diffusion in the A15 Alloy Structure', Journal of Physics and Chemistry of Solids, 58 1383-1390 (1997) [C1]
Citations Scopus - 10Web of Science - 8
Co-authors Irina Belova
1997 Belova IV, Murch GE, 'The Manning Relations for Atomic Diffusion in a Binary Ordered Alloy', Philosophical Magazine A, 75 1715-1723 (1997) [C1]
Citations Scopus - 19Web of Science - 20
Co-authors Irina Belova
1997 Belova IV, Murch GE, 'Computer Simulation of the Impurity Form of the Correlation Factor in Alloys of the L12, DO3 and A15 types.', Berichte der Bunsen-Gesellschaft for Physikalische Chemie, 101 1339-1343 (1997) [C1]
Citations Scopus - 1
Co-authors Irina Belova
1997 Zhang L, Murch GE, 'Diffusion in the lattice gas .1. The Haven ratio', DEFECT AND DIFFUSION FORUM, 141 49-58 (1997)
1997 Zhang L, Murch GE, 'Diffusion in the lattice gas .2. The isotope effect', DEFECT AND DIFFUSION FORUM, 141 59-64 (1997)
1997 Belova IV, Murch GE, 'Analysis of Diffusion in Ni3Al and Ni3Ge', Defect and Diffusion Forum, 143 321-326 (1997) [C1]
Citations Scopus - 6Web of Science - 6
Co-authors Irina Belova
1997 Belova IV, Murch GE, 'Correlation Factors from Observable Diffusion Quantities in Ordered Alloys with the B2 Structure', Defect and Diffusion Forum, 143 315-319 (1997) [C1]
Co-authors Irina Belova
1997 Belova IV, Murch GE, 'A General Method for Describing Diffusion Kinetics in Ordered Structures of Any Complexity', Defect and Diffusion Forum, 143 291-296 (1997) [C1]
Citations Scopus - 2Web of Science - 3
Co-authors Irina Belova
1996 Belova IV, Murch GE, 'Two approaches for the evaluation of collective diffusion correlation factors', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 73 131-146 (1996)
Citations Scopus - 3Web of Science - 3
Co-authors Irina Belova
1996 Murch GE, 'Recent Advances in the Theory of Chemical Diffusion in Defective Solids', Solid State Ionics, 6 295-302 (1996) [C1]
Citations Scopus - 5Web of Science - 9
1996 Murch GE, Belova IV, 'Adaptation to the Ordered Alloy of Mannings Description of Diffusion in the Random Alloy', Materials Science Forum, 223 161-170 (1996) [C1]
Co-authors Irina Belova
1996 Murch GE, Constable RA, 'Lattice correlation function analysis of the melodic incipits of Liszt and Chopin', Defect and Diffusion Forum, 138-139 19-34 (1996)

In this paper we explore certain aspects of structure in the melodic incipits of Liszt and Chopin by using lattice correlation functions. Statistically significant preferences for... [more]

In this paper we explore certain aspects of structure in the melodic incipits of Liszt and Chopin by using lattice correlation functions. Statistically significant preferences for the various scale degrees are found which depend on the location of the tone in the incipit especially the first. It is also shown that statistically significant pair correlations exist between any two tones (digrams) which decrease as a function of their distance apart. Correlation is shown to be still measurable at the sixth nearest neighbour. The distribution of three tone sequences (trigrams) is shown to be biased towards a fairly small number of possibilities. Notable is Chopin's much more frequent use of a trigram consisting of the nearest neighbour step mediant - supertonic - mediant. The calculated information theory redundancies consistently show higher values for Chopin than Liszt but this is only statistically supported for trigrams.

1996 Murch GE, Belova IV, Zhang H, 'Collective correlation factors in the ising ordered alloy with the B2 structure', Defect and Diffusion Forum, 136-137 1-20 (1996)

Diffusion via vacancies in a binary b.c.c. ordered alloy was simulated using a Monte Carlo method. Collective correlation factors and the average cosines of the angle between the ... [more]

Diffusion via vacancies in a binary b.c.c. ordered alloy was simulated using a Monte Carlo method. Collective correlation factors and the average cosines of the angle between the first jump of a species and the second of the same species (diagonal) or of the other species (off-diagonal) were calculated, the latter for each sublattice as well as in an average sense. The cosine relations are generally not as successful in approximating the correlation factors as compared with the earlier tracer study by Murcli and Zhang. The cosine relations for the diagonal correlation factors are ia reasonable agreement if they are applied to the sublattice components of the correlation factor and the total correlation factor formed as the harmonic mean.

Co-authors Irina Belova
1996 Murch GE, Belova IV, Zhang H, 'Collective Diffusion and the Vacancy-Wind Effect in Ordered Alloys with the B2 Structure', Defect and Diffusion Forum, 136 1-20 (1996) [C1]
1996 Belova IV, Murch GE, 'A Theory of Diffusion in the Ordered Alloy IIl: Chemical Diffusion', Philosophical Magazine A, 73 1699-1713 (1996) [C1]
Citations Scopus - 9Web of Science - 11
Co-authors Irina Belova
1996 Belova IV, Murch GE, 'A Theory of Diffusion in the Ordered Alloy II: Percolation and Tracer Diffusion', Philosophical Magazine A, 73 1223-1235 (1996) [C1]
Citations Scopus - 11Web of Science - 12
Co-authors Irina Belova
1996 Belova IV, Murch GE, 'A Theory of Diffusion in the Ordered Alloy I: Tracer Correlation Effects', Philosophical Magazine A, 73 117-129 (1996) [C1]
Citations Scopus - 40Web of Science - 32
Co-authors Irina Belova
1996 Belova IV, Murch GE, 'The Symmetry Properties of the Collective Diffusion Correlation Factors in the Random Alloy', Philosophical Magazine A, 73 101-115 (1996) [C1]
Citations Scopus - 5Web of Science - 6
Co-authors Irina Belova
1995 Belova IV, Murch GE, 'Diffusion in a Model of an Ordered Alloy', Philosophical Magazine A, 72 871-880 (1995) [C1]
Citations Web of Science - 28
Co-authors Irina Belova
1995 QIN Z, MURCH GE, 'COMPUTER-SIMULATION OF CHEMICAL DIFFUSION IN A BINARY ALLOY WITH AN EQUILIBRIUM CONCENTRATION OF VACANCIES', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 71 323-332 (1995)
Citations Web of Science - 8
1995 MURCH GE, ZHANG H, 'COMPUTER-SIMULATION OF TRACER CORRELATION-EFFECTS IN ORDERED ALLOYS WITH THE B2 STRUCTURE', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 72 249-265 (1995)
Citations Web of Science - 8
1994 QIN Z, MURCH GE, 'COLLECTIVE COSINE RELATIONS AND THE DECAY OF THE COLLECTIVE CORRELATION PROCESS IN SOLID-STATE DIFFUSION', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 70 481-491 (1994)
Citations Web of Science - 9
1993 Belova IV, Murch GE, 'Thermal and Diffusion-Induced Stresses in Crystalline Solids', Journal of Applied Physics, 77 127-137 (1993) [C1]
Citations Scopus - 5Web of Science - 6
Co-authors Irina Belova
1993 QIN Z, MURCH GE, 'CORRELATION-EFFECTS IN DISLOCATION PIPE DIFFUSION .1. THEORY', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 67 369-380 (1993)
Citations Web of Science - 5
1993 QIN Z, MURCH GE, 'CORRELATION-EFFECTS IN DISLOCATION PIPE DIFFUSION .2. A MONTE-CARLO STUDY', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 67 381-389 (1993)
Citations Web of Science - 2
1993 QIN Z, MURCH GE, 'RELATIONS BETWEEN ATOMIC TRANSPORT-COEFFICIENTS IN A BINARY-SYSTEM', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 67 757-776 (1993)
Citations Web of Science - 10
1993 QIN Z, MURCH GE, 'DECAY OF THE TRACER CORRELATION PROCESS IN SOLID-STATE DIFFUSION', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 67 777-788 (1993)
Citations Web of Science - 9
1993 QIN Z, MURCH GE, 'COMPUTER-SIMULATION OF COLLECTIVE CORRELATION-EFFECTS FOR DIFFUSION IN A RANDOM ALLOY', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 68 819-830 (1993)
Citations Web of Science - 11
1993 QIN Z, MURCH GE, 'COMPUTER-SIMULATION OF TRACER DIFFUSION IN A BINARY ORDERED ALLOY WITH AN EQUILIBRIUM CONCENTRATION OF VACANCIES', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 68 831-841 (1993)
Citations Web of Science - 10
1993 QIN Z, MURCH GE, 'IMPURITY CORRELATION FACTORS AND THEIR RELATIONSHIP TO THE ISOTOPE EFFECT IN A BINARY ORDERED ALLOY', PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 68 677-688 (1993)
DOI 10.1080/13642819308220151
Citations Web of Science - 8
1992 Murch GE, 'Diffusion-Limited Evaporation: A Monte Carlo Approach', High Temperature Science, 20 75-85 (1992) [C1]
Citations Web of Science - 1
1992 LIM SH, MURCH GE, OATES WA, 'CONFIGURATIONAL THERMODYNAMICS OF VACANCY FORMATION IN SOLIDS BY MONTE-CARLO SIMULATION', JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 53 175-180 (1992)
DOI 10.1016/0022-3697(92)90025-9
Citations Scopus - 3Web of Science - 3
1992 LIM SH, MURCH GE, OATES WA, 'EQUILIBRIUM VACANCY CONCENTRATIONS IN NONSTOICHIOMETRIC B-2 COMPOUNDS BY MONTE-CARLO SIMULATIONS', JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 53 181-187 (1992)
DOI 10.1016/0022-3697(92)90026-A
Citations Scopus - 8Web of Science - 9
1992 QIN Z, MURCH GE, 'COLLECTIVE CORRELATION-EFFECTS IN SOLID-STATE DIFFUSION', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 66 957-973 (1992)
Citations Web of Science - 14
1991 ZHANG L, MURCH GE, 'IONIC-CONDUCTIVITY AND THE MIXED ALKALI EFFECT IN A BINARY-SYSTEM - A MONTE-CARLO STUDY', SOLID STATE IONICS, 47 125-135 (1991)
DOI 10.1016/0167-2738(91)90190-M
Citations Scopus - 6Web of Science - 6
1991 MURCH GE, 'COMPUTER-SIMULATION OF ATOMIC TRANSPORT IN IONIC SOLIDS - AN OVERVIEW', RADIATION EFFECTS AND DEFECTS IN SOLIDS, 119 753-758 (1991)
DOI 10.1080/10420159108220815
1990 LIM SH, MURCH GE, OATES WA, 'THERMODYNAMIC PROPERTIES OF ORDERED CSCL-TYPE INTERMETALLIC COMPOUNDS FROM MONTE-CARLO SIMULATIONS', JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 51 1047-1052 (1990)
DOI 10.1016/0022-3697(90)90063-L
Citations Scopus - 2Web of Science - 2
1990 ZHANG L, MURCH GE, 'COMPUTER-SIMULATION OF DE-MIXING IN SOLID-SOLUTION OXIDES', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 62 267-274 (1990)
Citations Web of Science - 10
1990 LIDIARD AB, MURCH GE, QIN Z, ZHANG L, 'RELATIONS BETWEEN TRACER DIFFUSION-COEFFICIENTS AND PHENOMENOLOGICAL COEFFICIENTS IN A BINARY SUBSTITUTIONAL ALLOY', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 62 595-604 (1990)
Citations Web of Science - 13
1990 OATES WA, MURCH GE, LIM SH, 'A TEST-SITE METHOD FOR THE EVALUATION OF THE LATTICE-GAS PRESSURE IN MONTE-CARLO SIMULATIONS', PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 61 337-346 (1990)
DOI 10.1080/13642819008208638
Citations Scopus - 8Web of Science - 8
1990 LIM SH, MURCH GE, OATES WA, 'DIRECT EVALUATION OF CHEMICAL-POTENTIALS IN SUBSTITUTIONAL SOLID-SOLUTIONS FROM MONTE-CARLO SIMULATIONS', PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 62 159-172 (1990)
DOI 10.1080/13642819008226984
Citations Web of Science - 4
1990 LIM SH, HASEBE M, MURCH GE, OATES WA, 'THERMODYNAMIC PROPERTIES OF BINARY-ALLOYS FROM MONTE-CARLO SIMULATIONS', PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 62 173-191 (1990)
DOI 10.1080/13642819008226985
Citations Web of Science - 9
1990 CHATURVEDI DK, MURCH GE, 'MONTE-CARLO STUDY OF STATIC CORRELATIONS IN LATTICE GASES WITH NEAREST AND NEXT NEAREST NEIGHBOR EXCLUSION', SOLID STATE IONICS, 38 255-260 (1990)
DOI 10.1016/0167-2738(90)90430-Y
1990 LIM SH, MURCH GE, OATES WA, 'MONTE-CARLO CALCULATION OF PHASE-EQUILIBRIA IN TERNARY-SYSTEMS', CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 14 27-39 (1990)
DOI 10.1016/0364-5916(90)90037-Z
Citations Scopus - 2Web of Science - 2
1989 LIM SH, MURCH GE, OATES WA, 'THERMODYNAMIC PROPERTIES OF TERNARY ALLOYS FROM MONTE-CARLO SIMULATIONS', JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 50 1251-1259 (1989)
DOI 10.1016/0022-3697(89)90397-1
Citations Scopus - 3Web of Science - 4
1989 ZHANG L, OATES WA, MURCH GE, 'COMPUTER-SIMULATION OF THE DIFFUSION ISOTOPE EFFECT IN A BINARY ORDERED ALLOY', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 59 171-177 (1989)
Citations Web of Science - 7
1989 ZHANG L, OATES WA, MURCH GE, 'A COMPUTER-SIMULATION STUDY OF MANNING RELATIONS IN A BINARY ALLOY WITH ORDER', PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 60 277-288 (1989)
DOI 10.1080/13642818908211195
Citations Scopus - 14Web of Science - 21
1989 MURCH GE, DYRE JC, 'CORRELATION-EFFECTS IN IONIC-CONDUCTIVITY', CRC CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES, 15 345-365 (1989)
DOI 10.1080/10408438908243739
Citations Web of Science - 35
1989 LIM SH, MURCH GE, OATES WA, 'MONTE-CARLO CALCULATION OF THE FERRITE AUSTENITE EQUILIBRIUM IN FE-C ALLOYS', CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 13 139-147 (1989)
DOI 10.1016/0364-5916(89)90014-X
Citations Web of Science - 4
1988 ZHANG L, OATES WA, MURCH GE, 'COMPUTER-SIMULATION OF CHEMICAL DIFFUSION IN AN ORDERED ALLOY', PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 58 937-946 (1988)
Citations Scopus - 14Web of Science - 22
1988 OATES WA, LIM SH, MURCH GE, 'DIRECT CALCULATION OF INCOHERENT PHASE-DIAGRAMS BY MONTE-CARLO SIMULATION', PHILOSOPHICAL MAGAZINE LETTERS, 57 11-16 (1988)
DOI 10.1080/09500838808227791
Citations Scopus - 2Web of Science - 4
1987 MURCH GE, CATLOW CRA, 'OXYGEN DIFFUSION IN UO2, THO2 AND PUO2 - A REVIEW', JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 83 1157-1169 (1987)
DOI 10.1039/f29878301157
Citations Scopus - 45Web of Science - 53
1987 MURCH GE, OATES WA, 'AN ELASTIC-ENERGY-RELAXATION MONTE-CARLO HYBRID SCHEME OF COMPUTER-SIMULATION FOR SOLIDS', PHILOSOPHICAL MAGAZINE LETTERS, 56 187-190 (1987)
DOI 10.1080/09500838708214706
Citations Web of Science - 3
1987 Murch GE, Oates WA, 'ELASTIC-ENERGY-RELAXATION MONTE CARLO HYBRID SCHEME OF COMPUTER SIMULATION FOR SOLIDS.', Philosophical Magazine Letters, 56 165-171 (1987)
1986 MURRAY AD, MURCH GE, CATLOW CRA, 'A NEW HYBRID SCHEME OF COMPUTER-SIMULATION BASED ON HADES AND MONTE-CARLO - APPLICATION TO IONIC-CONDUCTIVITY IN Y-3+ DOPED CEO2', SOLID STATE IONICS, 18-9 196-202 (1986)
DOI 10.1016/0167-2738(86)90111-6
Citations Scopus - 34Web of Science - 47
1986 MURCH GE, DYRE JC, 'CORRELATION-EFFECTS IN TRACER DIFFUSION AND IONIC-CONDUCTIVITY', SOLID STATE IONICS, 20 203-207 (1986)
DOI 10.1016/0167-2738(86)90215-8
Citations Scopus - 6Web of Science - 10
1986 DYRE JC, MURCH GE, 'CORRELATION-EFFECTS IN TRACER DIFFUSION AND IONIC-CONDUCTIVITY .2.', SOLID STATE IONICS, 21 139-142 (1986)
DOI 10.1016/0167-2738(86)90204-3
Citations Scopus - 4Web of Science - 9
1985 Murch GE, 'Ionic Conductivity and Tracer Diffusion in a System Containing Random Traps', Journal of Physics and Chemistry of Solids, 46 53-59 (1985) [C1]
Citations Scopus - 10Web of Science - 14
1985 Murch GE, Rothman SJ, 'Grain Boundary Diffusion at High Densities of Grain Boundaries', Diffusion and Defect Data, 42 17-28 (1985) [C1]
1985 Murch GE, 'Comments on an Analysis of the Stoichiometry and Temperature Dependence of Cation Diffusion in Wustite, Fe1-delta O', Physical Review B, 32 4237-4238 (1985) [C1]
1984 MURCH GE, 'THE DIFFUSION EQUATION - A RANDOM-WALK METHOD OF SOLUTION', JOURNAL OF METALS, 36 79-79 (1984)
1984 SATO H, MURCH GE, 'TRACER DIFFUSION IN AN ORDERED ALLOY - APPLICATION OF THE PATH PROBABILITY AND MONTE-CARLO METHODS', JOURNAL OF METALS, 36 3-3 (1984)
1984 MURCH GE, 'DIFFUSION-LIMITED-EVAPORATION - THE EFFECT OF A CONCENTRATION DEPENDENT DIFFUSION-COEFFICIENT', JOURNAL OF METALS, 36 36-36 (1984)
1984 Murch GE, 'Monte Carlo Calculation of Correlation and Vacancy-Wind Effects in Diffusion', Materials Science Forum, 1 199-209 (1984) [C1]
1984 Murch GE, Rothman SJ, 'Application of the Monte Carlo Method to Solid State Diffusion: A Tutorial Approach', Nontraditional Methods in Diffusion, 281-305 (1984) [C1]
1984 Murch GE, 'Some Tracer Correlation Factors in the FCC Lattice', Journal of Physics and Chemistry of Solids, 45 451-452 (1984) [C1]
Citations Scopus - 5Web of Science - 8
1984 Murch GE, 'Diffusion Correlation and Isotope Effects in High Defect Content Solids', Philiosophical Magazine A, 49 21-29 (1984) [C1]
Citations Scopus - 18Web of Science - 28
1983 MURCH GE, ROTHMAN SJ, 'APPLICATION OF THE MONTE-CARLO METHOD TO SOLID-STATE DIFFUSION', JOURNAL OF METALS, 35 A42-A42 (1983)
Citations Web of Science - 1
1983 Murch GE, 'A Computer Simulated Random Walk Analysis of Diffusion in Dislocations', Diffusion and Defect Data, 32 1-8 (1983) [C1]
1983 Murch GE, 'Oxygen Diffusion in Uranium Dioxide: An Overview', Diffusion and Defect Data, 32 9-19 (1983) [C1]
1983 MURCH GE, 'THE EXACT NERNST-EINSTEIN EQUATIONS AND THE INTERPRETATION OF CROSS PHENOMENOLOGICAL COEFFICIENTS IN UNARY, BINARY, AND AMBIPOLAR SYSTEMS', RADIATION EFFECTS AND DEFECTS IN SOLIDS, 73 299-305 (1983)
DOI 10.1080/00337578308220688
1982 Murch GE, 'Chemical Diffusion in a One-Dimensional Lattice With Two Sites Inequivalent', Journal of Physics and Chemistry of Solids, 43 773-776 (1982) [C1]
Citations Web of Science - 1
1982 Murch GE, 'Correlation Effects in Diffusion in a Two-Sublattice Structure', Journal of Physics and Chemistry of Solids,, 43 243-247 (1982) [C1]
Citations Scopus - 9Web of Science - 14
1982 Murch GE, 'The Nernst-Einstein Relation in High Defect Content Solids', Philosophical Magazine A, 45 685-692 (1982) [C1]
Citations Scopus - 7Web of Science - 12
1982 Murch GE, 'Computer Simulation of Tracer Diffusion in a Concentrated Alloy With Short Range Order', Philosophical Magazine A, 45 941-956 (1982) [C1]
Citations Scopus - 13Web of Science - 28
1982 Murch GE, 'Computer Simulation of Tracer Diffusion in a Concentrated Alloy With Long Range Order', Philosophical Magazine A, 46 565-573 (1982) [C1]
Citations Scopus - 6Web of Science - 15
1982 Murch GE, 'Computer Simulation of the Vacancy-Wind Effect in a Concentrated Alloy With Long and Short Range Order', Philosophical Magazine A, 46 575-582 (1982) [C1]
Citations Scopus - 13Web of Science - 23
1982 Murch GE, 'An Expression for the Vacancy-Wind Effect in Diffusion in a Binary Substitutional Alloy', Philosophical Magazine A, 46 151-159 (1982) [C1]
Citations Web of Science - 27
1982 Murch GE, 'A Computer Simulation Study of the Temperature Dependence of the Tracer Diffusivity and Haven Ratio in a Model of a Highly Defective Solid', Philosophical Magazine A, 45 929-940 (1982) [C1]
Citations Scopus - 3Web of Science - 7
1982 Murch GE, 'A Computer Simulation Study of the Behaviour of the Haven Ratio Near Order/Disorder Transitions in Highly Defective Solids', Philosophical Magazine A, 45 699-709 (1982) [C1]
Citations Scopus - 9Web of Science - 16
1982 Murch GE, 'EXPRESSION FOR THE VACANCY-WIND EFFECT IN DIFFUSION IN A BINARY SUBSTITUTIONAL ALLOY.', Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties, 46 151-159 (1982)

A general expression is derived for the vacancy-wind factor which occurs in the equation linking the intrinsic diffusion coefficient, the tracer diffusion coefficient, and the the... [more]

A general expression is derived for the vacancy-wind factor which occurs in the equation linking the intrinsic diffusion coefficient, the tracer diffusion coefficient, and the thermodynamic factor in a binary substitutional alloy. The expression leads immediately to the binary analogue of the exact Nernst EN DASH Einstein equation derived recently by Murch in the unary system. A realization by Monte Carlo computer simulation of the expression was made for the random-alloy model. The results obtained were in excellent agreement with the results of the analysis by Manning.

Citations Scopus - 8
1982 MURCH GE, 'DIFFUSION AND THE VACANCY-WIND EFFECT IN A CONCENTRATED BINARY ALLOY WITH ORDER', JOURNAL OF METALS, 34 3-3 (1982)
1982 Murch GE, 'The Haven Ratio in Fast Ion Conductors', Solid State Ionics, 7 177-198 (1982) [C1]
Citations Scopus - 105Web of Science - 126
1981 Murch GE, 'Self-Diffusion in Nonstoichiometric Compounds', Journal of Physics and Chemistry of Solids, 42 227-231 (1981) [C1]
Citations Scopus - 3Web of Science - 4
1981 Murch GE, Rothman SJ, 'Diffusion, Correlation and Percolation in a Random Alloy', Philosophical Magazine A, 43 229-238 (1981) [C1]
Citations Scopus - 22Web of Science - 41
1981 Murch GE, 'A Monte Carlo Study of Diffusion in a Model of an Ordered Adsorbate', Philosophical Magazine A, 43 871-882 (1981) [C1]
Citations Scopus - 54Web of Science - 66
1981 Murch GE, 'The Haven Ratio in the Vicinity of Order/Disorder Transitions in Some Two-Dimensional Lattice Gases', Solid State Ionics, 5 117-120 (1981) [C1]
Citations Scopus - 5Web of Science - 8
1980 Murch GE, 'Carbon Diffusion in Hyperstoichiometric Uranium Carbide', Journal of Nuclear Materials, 58 244-245 (1980) [C1]
Citations Scopus - 3Web of Science - 6
1980 MURCH GE, 'HIGH-TEMPERATURE THERMODYNAMIC PROPERTIES OF THE UC-2-]2 PHASE - COMMENT', JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 41 411-411 (1980)
DOI 10.1016/0022-3697(80)90217-6
1980 Murch GE, 'Comments on "high-temperature thermodynamic properties of the UC1¿2 phase"', Journal of Physics and Chemistry of Solids, 41 411-411 (1980)
DOI 10.1016/0022-3697(80)90217-6
1980 Murch GE, 'Comments on the High Temperature Thermodynamics of the UC1_2 Phase', Journal of Physics and Chemistry of Solids, 41 (1980) [C1]
1980 Murch GE, Thorn RJ, 'Relation between Orbital Binding Energies and Ionicities in Alkali and Alkaline Earth Fluorides', Journal of Physics and Chemistry of Solids, 41 785-791 (1980) [C1]
Citations Scopus - 16Web of Science - 19
1980 Murch GE, 'Diffusion in Highly Defective Solids: the Haven Ratio in the Athermal Lattice Gas', Philosophical Magazine, 41 701-711 (1980) [C1]
Citations Scopus - 11Web of Science - 23
1980 Murch GE, 'Chemical Diffusion in Highly Defective Solids', Philosophical Magazine A, 41 157-163 (1980) [C1]
Citations Web of Science - 26
1980 MURCH GE, 'COMPUTER-SIMULATION OF BULK AND SURFACE CHEMICAL DIFFUSION OF LIGHT-ATOMS IN METALS', JOURNAL OF METALS, 32 14-14 (1980)
1980 ROTHMAN SJ, NOWICKI LJ, MURCH GE, 'SELF-DIFFUSION IN AUSTENITIC FE-CR-NI ALLOYS', JOURNAL OF PHYSICS F-METAL PHYSICS, 10 383-398 (1980)
DOI 10.1088/0305-4608/10/3/009
Citations Scopus - 98Web of Science - 116
1980 Murch GE, 'Computer Simulation of the Diffusion Behaviour of an Ordered Absorbate', Ordering in Two Dimensions, 323-325 (1980) [C1]
1979 Murch GE, 'A Monte Carlo Demonstration of Diffusion in an Electric Field', American Journal of Physics, 47 958-960 (1979) [C1]
Citations Web of Science - 10
1979 Murch GE, 'A Monte Carlo Calculation as an Aid in Teaching Solid State Diffusion', American Journal of Physics, 97 78-80 (1979) [C1]
Citations Web of Science - 13
1979 Murch GE, Thorn RJ, 'A Model for the Carbon Activity in Nonstoichiometric Thorium Carbide', Journal of Nuclear Materials, 82 430-434 (1979) [C1]
Citations Scopus - 3Web of Science - 3
1979 Murch GE, 'Calculation of the Correlation Factor for a Carbon Diffusion Mechanism in Hyperstoichiometric Uranium Carbide', Journal of Nuclear Materials, 57 239-242 (1979) [C1]
Citations Scopus - 11Web of Science - 18
1979 Murch GE, Thorn RJ, 'Computer Simulation of the Carbon Diffusivity in Austenite', Journal of Physics and Chemistry of Solids, 40 389-391 (1979) [C1]
Citations Scopus - 8Web of Science - 7
1979 Murch GE, Thorn RJ, 'Calculation of the Diffusion Correlation Factor by Monte Carlo Methods', Philosophical Magazine A, 39 673-677 (1979) [C1]
Citations Scopus - 9Web of Science - 15
1979 Murch GE, Thorn RJ, 'Isothermal Transport in the Lattice Gas', Philosophical Magazine A, 40 477-484 (1979) [C1]
Citations Scopus - 16Web of Science - 29
1979 Murch GE, Thorn RJ, 'Computer Simulation of the Drift Mobility of an Ionic Impurity in an Electric Field', Philosophical Magazine A, 39 259-264 (1979) [C1]
Citations Scopus - 8Web of Science - 10
1979 Murch GE, Thorn RJ, 'Physical Correlation Effects in the Lattice Gas', Solid State Ionics, 1 333-335 (1979) [C1]
1979 Murch GE, 'A Relation between the Activation Energy for Self Diffusion and the Partial Molar Energy in Interstitial Solid Solutions', Acta Metallurgica, 27 1701-1704 (1979) [C1]
Citations Scopus - 5Web of Science - 4
1979 Murch GE, Thorn RJ, 'Computer Simulation of the Carbon Activity in Austenite', Acta Metallurgica, 27 201-204 (1979) [C1]
Citations Scopus - 21Web of Science - 25
1978 MURCH GE, THORN RJ, 'COMPUTER-SIMULATION OF IONIC-CONDUCTIVITY', JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 125 C130-C130 (1978)
1978 Murch GE, Thorn RJ, 'Petit and Grand Ensemble Monte Carlo Calculation of the Thermodynamics of the Simple Cubic Lattice Gas', Journal of Computational Physics, 29 237-244 (1978) [C1]
Citations Scopus - 5Web of Science - 13
1978 Murch GE, Thorn RJ, 'The Co-operative Nature of Interstitial Diffusion in Metals', Journal of Nuclear Materials, 69-70 571-572 (1978) [C1]
1978 Murch GE, Thorn RJ, 'The Mechanism of Oxygen Diffusion in Near Stoichiometric Uranium Dioxide', Journal of Nuclear Materials, 11 219-226 (1978) [C1]
Citations Scopus - 18Web of Science - 18
1978 Murch GE, Thorn RJ, 'Drift Mobility Correlation in a Simple Cubic Lattice', Physics and Chemistry of Solids, 39 1301-1305 (1978) [C1]
Citations Scopus - 7Web of Science - 11
1978 Murch GE, Thorn RJ, 'Monte Carlo Calculation of the Simultaneous Ionic Conductivity and Tracer Diffusion in b-Alumina', Philosophical Magazine, 37 85-93 (1978) [C1]
Citations Scopus - 12Web of Science - 17
1978 Murch GE, Thorn RJ, 'Computer Simulation of the Correlation Factor for Impurity Diffusion', Philosophical Magazine, 38 125-130 (1978) [C1]
Citations Scopus - 2Web of Science - 13
1977 Murch GE, Thorn RJ, 'Computer Simulation of the Carbon Activity and Transport in UCx', Transactions of the American Nuclear Society, 27 299-300 (1977) [C1]
1977 Murch GE, Thorn RJ, 'Interstitial Solute Diffusion in Metals', Journal of Physics and Chemistry of Solids, 38 789-793 (1977) [C1]
Citations Scopus - 37Web of Science - 57
1977 MURCH GE, THORN RJ, 'MONTE-CARLO STUDY OF SODIUM DIFFUSION IN BETA-ALUMINA', PHILOSOPHICAL MAGAZINE, 36 517-527 (1977)
DOI 10.1080/14786437708239736
Citations Scopus - 17Web of Science - 24
1977 Murch GE, Thorn RJ, 'Diffusional Aspects of Nonstoichiometry: a Model for UCx', Philosophical Magazine, 35 1441-1451 (1977) [C1]
Citations Scopus - 7Web of Science - 11
1977 Murch GE, Thorn RJ, 'Computer Simulation of Sodium Diffusion in Beta"-Alumina', Philosophical Magazine, 35 493-502 (1977) [C1]
Citations Web of Science - 81
1977 Murch GE, Thorn RJ, 'Computer Simulation of Ionic Conductivity: Application to Beta-Alumina', Philosophical Magazine, 36 529-539 (1977) [C1]
Citations Scopus - 35Web of Science - 56
1977 Murch GE, 'A Monte Carlo Analysis of Sodium Diffusion in b-Alumina', Philosophical Magazine, 36 512-527 (1977) [C1]
1976 Murch GE, Thorn RJ, 'Thermodynamics of Nonstoichiometry: a Model for UCx', Philosophical Magazine, 34 299-309 (1976) [C1]
Citations Scopus - 12Web of Science - 20
1976 Murch GE, Thorn RJ, 'Computer Simulation of the Chemical Potential', Nuclear Metallurgy, 20 245-251 (1976) [C1]
Citations Scopus - 1
1975 Murch GE, 'Comments on the Mechanism of Self-Diffusion of Carbon in Hyperstoichiometric Uranium Carbide', Journal of Nuclear Materials, 55 355-356 (1975) [C1]
Citations Scopus - 6Web of Science - 8
1975 Debruin HJ, Murch GE, Bakker H, Van Der Meij LJ, 'Diffusion Correlation in Random Alloys', Thin Solid Films, 25 47-62 (1975) [C1]
Citations Scopus - 22Web of Science - 51
1975 Murch GE, 'A Monte Carlo Analysis of Diffusion and Thermodynamics in UO2+x', Philiosophical Magazine, 32 1129-1140 (1975) [C1]
Citations Scopus - 12Web of Science - 27
1975 Murch GE, Bradhurst DH, Debruin HJ, 'Oxygen Self-Diffusion in Nonstoichiometric Uranium Dioxide', Philosophical Magazine, 32 1141-1150 (1975) [C1]
Citations Scopus - 18Web of Science - 21
1974 Murch GE, Rolls JM, Debruin HJ, 'Diffusion in Nonstoichiometric Solids: a Monte Carlo Analysis for Pyrrhotite', Philosophical Magazine, 29 337-348 (1974) [C1]
Citations Scopus - 11
1973 Debruin HJ, Murch GE, 'Diffusion Correlation Effects in Nonstoichiometric Solids', The Philosophical Magazine, 27 1475-1488 (1973) [C1]
Citations Scopus - 39
Show 397 more journal articles

Review (2 outputs)

Year Citation Altmetrics Link
2001 Murch GE, 'Ferrite and austenite: Diffusion, bulk and interfacial', Encyclopedia of Materials: Science and Technology (2001) [D1]
2001 Murch GE, 'Diffusion: Novel measurement methods', Encyclopedia of Materials: Science and Technology (2001) [D1]

Conference (70 outputs)

Year Citation Altmetrics Link
2014 Sulong MA, Mathier V, Fiedler T, Belova IV, Murch GE, 'Compressive properties of corevo® foam under uni-axial loading based on experimental and numerical analysis', Applied Mechanics and Materials (2014) [E1]

This paper reports on an investigation of the compressive properties of Corevo® foam. Corevo® foam is a cellular metal manufactured by the infiltration casting of salt dough wit... [more]

This paper reports on an investigation of the compressive properties of Corevo® foam. Corevo® foam is a cellular metal manufactured by the infiltration casting of salt dough with aluminium. Corevo® foam samples with different porosities are tested by using quasi-static compression loading. Their mechanical properties (i. e.: effective Young's modulus, Poisson's ratio, initial yield stress and material yield stress) are then compared to reveal the importance of the density difference. In addition, three-dimensional finite element analysis is performed on models generated from micro-computed tomography (µCT). The results of two different pore sizes are obtained and compared in the scope of this work. These numerical results are verified by comparison with the experimental analysis. Sound agreement is found. Numerical analysis in this work also includes the investigation of the mechanical material anisotropy and plastic deformation. © (2014) Trans Tech Publications, Switzerland.

DOI 10.4028/www.scientific.net/AMM.597.121
Co-authors Thomas Fiedler, Irina Belova
2014 Kammerer C, Kulkarni N, Warmack R, Perry K, Belova I, Murch G, Sohn Y, 'Impurity diffusion coefficients of Al and Zn in Mg determined from solid-to-solid diffusion couples', Magnesium Technology (2014) [E1]

Increasing use and development of lightweight Mg-alloys have led to the desire for more fundamental research in and understanding of Mg-based systems. As property enhancing compon... [more]

Increasing use and development of lightweight Mg-alloys have led to the desire for more fundamental research in and understanding of Mg-based systems. As property enhancing components, Al and Zn are two of the most important and common alloying elements for Mg-alloys. We have investigated the concentration dependent interdiffusion of Al and Zn in Mg using diffusion couples of pure polycrystalline Mg mated to Mg solid solutions containing either <9 at.% Al or <3 at.% Zn. Concentration profiles were determined by electron micro-probe microanalysis of the diffusion zone. The interdiffusion coefficients were determined by the classical Boltzmann-Matano method within the Mg solid solution. As the concentration of Al or Zn approaches the dilute ends, we employ an analytical approach based on the Hall method to estimate the impurity diffusion coefficients. Results of Al and Zn impurity diffusion in Mg are reported and compared to published impurity diffusion coefficients typically determined by thin film techniques.

Citations Scopus - 1
Co-authors Irina Belova
2013 Murch G, Ochsner A, Shokuhfar A, Delgado J, 'Diffusion in Solids and Liquids VIII' (2013) [E4]
2012 Ochsner A, Murch GE, Shokuhfar A, Delgado JMPQ, 'Diffusion in Solids and Liquids VII. Selected, peer reviewed papers from the 7th International Conference on Diffusion in Solids and Liquids', Diffusion in Solids and Liquids VII. Selected, peer reviewed papers from the 7th International Conference on Diffusion in Solids and Liquids, Mass Transfer - Heat Transfer - Microstructure & Propertie, Algarve, Portugal (2012) [E4]
2012 Ochsner A, Murch GE, Shokuhfar A, Delgado JMPQ, 'Diffusion in Solids and Liquids VII. Selected, peer reviewed papers from the 7th International Conference on Diffusion in Solids and Liquids', Diffusion in Solids and Liquids VII. Selected, peer reviewed papers from the 7th International Conference on Diffusion in Solids and Liquids, Mass Transfer - Heat Transfer - Microstructure & Propertie, Algarve, Portugal (2012) [E4]
2011 Wang M, Mignone PJ, Riley DP, Franks GV, Fiedler T, Murch GE, 'Electronic poster: A massively parallel Lattice Monte Carlo algorithm in CUDA for thermal conduction simulations', Proceedings of the 2011 companion on High Performance Computing Networking, Storage and Analysis Companion, Seattle, WA (2011) [E1]
DOI 10.1145/2148600.2148648
Co-authors Thomas Fiedler
2011 Belova IV, Murch GE, Fiedler T, 'The Harrison diffusion kinetics regimes in grain boundary diffusion: Lattice Monte Carlo Modelling of the effect of segregation', Defect and Diffusion Forum Series, Moscow, Russia (2011) [E1]
DOI 10.4028/www.scientific.net/DDF.309-310.9
Citations Scopus - 2Web of Science - 2
Co-authors Thomas Fiedler, Irina Belova
2011 Ochsner A, Murch GE, Delgado JMPQ, 'Conference Editors', Diffusion in Solids and Liquids VI, Paris, France (2011) [E4]
2010 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Monte Carlo simulation of hollow sphere formation by the Kirkendall effect in a core-shell diffusion couple with an ordering tendency', 1st International Conference. Reaction Kinetics in Condensed Matter (RKCM). Book of Abstracts, Moscow, Russia (2010) [E3]
Co-authors Alexander Evteev, Elena Levchenko, Irina Belova
2010 Levchenko EV, Evteev AV, Hagel FA, Belova IV, Murch GE, 'Atomistic simulation of self-heating reactions in Al-coated Ni nanoparticles', 1st International Conference. Reaction Kinetics in Condensed Matter (RKCM). Book of Abstracts, Moscow, Russia (2010) [E3]
Co-authors Elena Levchenko, Irina Belova, Alexander Evteev
2010 Evteev AV, Levchenko EV, Beck DR, Belova IV, Murch GE, 'Molecular dynamics simulation of liquid Ni50Al50 alloy', European Materials Research Society: Fall Meeting, E-MRS 2010, Warsaw, Poland (2010) [E3]
Co-authors Elena Levchenko, Alexander Evteev, Irina Belova
2010 Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Molecular dynamics study of diffusion and surface segregation in Ni-Al nanoparticles and thin films', European Materials Research Society: Fall Meeting, E-MRS 2010, Warsaw, Poland (2010) [E3]
Co-authors Elena Levchenko, Alexander Evteev, Irina Belova
2010 Evteev AV, Levchenko EV, Riley DP, Belova IV, Murch GE, 'Molecular dynamics simulation of reactions forming Ni-Al nanoparticles', TMS Annual Meeting. Final Program, Washington, DC (2010) [E3]
Co-authors Alexander Evteev, Elena Levchenko, Irina Belova
2010 Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Pd2Ni surface-sandwich ordering at the nanoscale: Atomistic simulations and first-principles calculations', TMS Annual Meeting. Final Program, Washington, DC (2010) [E3]
Co-authors Alexander Evteev, Irina Belova, Elena Levchenko
2010 Murch GE, Belova IV, Fiedler T, 'Full delineation of Harrison's diffusion kinetics regimes for grain boundary diffusion: A Monte Carlo Study', TMS Annual Meeting. Final Program, Washington, DC (2010) [E3]
Co-authors Thomas Fiedler, Irina Belova
2010 Fiedler T, Veyhl C, Belova IV, Murch GE, 'Numerical simulation of thermal management with heat sink composites', Proceedings - 12th IEEE Intersociety Conference on Thermal and Thermomechanical Phenomena in Electronic Systems, ITherm 2010, Las Vegas, NV (2010) [E1]
DOI 10.1109/ITHERM.2010.5501427
Co-authors Irina Belova, Thomas Fiedler
2010 Fiedler T, Murch GE, Belova IV, 'Solving complex thermal and mass transport problems with the Lattice Monte Carlo method', Materials Science Forum, Carins, Australia (2010) [E1]
DOI 10.4028/www.scientific.net/MSF.654-656.1476
Citations Scopus - 5Web of Science - 4
Co-authors Thomas Fiedler, Irina Belova
2010 Fiedler T, Murch GE, Bernthaler T, Belova IV, 'Numerical characterization of anisotropic heat sink composites', Materials Science Forum, Cairns, Australia (2010) [E1]
DOI 10.4028/www.scientific.net/MSF.654-656.1500
Citations Scopus - 3Web of Science - 3
Co-authors Thomas Fiedler, Irina Belova
2010 Fiedler T, Belova IV, Ochsner A, Murch GE, 'A lattice Monte Carlo analysis of thermal transport in phase change materials', Diffusion in Solids and Liquids V: Proceedings of the 5th International Conference on Diffusion in Solids and Liquids (DSL-2009), Grand Hotel Palazzo Carpegna, Rome Italy (2010) [E1]
Citations Scopus - 3Web of Science - 2
Co-authors Thomas Fiedler, Irina Belova
2010 Belova IV, Murch GE, Fiedler T, 'Parametric analysis of the classification of Harrison kinetics regimes in grain boundary diffusion', Diffusion in Solids and Liquids V: Proceedings of the 5th International Conference on Diffusion in Solids and Liquids (DSL-2009), Grand Hotel Palazzo Carpegna, Rome Italy (2010) [E1]
DOI 10.4028/www.scientific.net/DDF.297-301.1226
Citations Scopus - 1
Co-authors Thomas Fiedler, Irina Belova
2010 Belova IV, Murch GE, 'The nature of the vacancy-wind effect occurring in diffusion via six- jump-cycles in B2 intermetallics', Diffusion in Solids and Liquids V: Proceedings of the 5th International Conference on Diffusion in Solids and Liquids (DSL-2009), Grand Hotel Palazzo Carpegna, Rome Italy (2010) [E1]
DOI 10.4028/www.scientific.net/DDF.297-301.1218
Co-authors Irina Belova
2009 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Monte Carlo simulation of the formation and shrinkage of hollow binary alloy nanospheres', International Conference and Exhibition on Materials and AustCeram 2009: Program and Abstracts, Surfers Paradise, QLD (2009) [E3]
Co-authors Alexander Evteev, Irina Belova, Elena Levchenko
2009 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Prediction of Pd2Ni surface-sandwich ordering at the nanoscale', International Conference and Exhibition on Materials and AustCeram 2009: Program and Abstracts, Surfers Paradise, QLD (2009) [E3]
Co-authors Alexander Evteev, Elena Levchenko, Irina Belova
2009 Murch GE, Evteev AV, Levchenko EV, Belova IV, 'Diffusion and reaction in nanoparticles simulation studies', International Symposium on Thermodynamics and Transport Kinetics of Nanostructured Materials (TTk), Castle Nordkirchen, Germany (2009) [E3]
Co-authors Alexander Evteev, Elena Levchenko, Irina Belova
2009 Ochsner A, Murch GE, Shokuhfar A, 'Conference editors', Diffusion in Solids and Liquids IV, Barcelona, Spain (2009) [E4]
2008 Belova IV, Murch GE, Evteev AV, Levchenko EV, 'A combined molecular dynamics and Monte Carlo calculation of the chemical diffusivity in cementite (Fe3C)', Abstracts of DIMAT 2008: 7th International Conference on Diffusion in Materials, Lanzarote, Canary Islands (2008) [E3]
Co-authors Irina Belova, Elena Levchenko, Alexander Evteev
2008 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Phenomenological analysis and Monte Carlo simulation of diffusion in hollow binary alloy nanospheres', Scientific Programme and Book of Abstracts E-MRS 2008 Fall Meeting, Warsaw, Poland (2008) [E3]
Co-authors Irina Belova, Alexander Evteev, Elena Levchenko
2008 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics study of formation by interdiffusion of Pd-Ni and Ag-Ni nanoparticles', Scientific Programme and Book of Abstracts E-MRS 2008 Fall Meeting, Warsaw, Poland (2008) [E3]
Co-authors Elena Levchenko, Irina Belova, Alexander Evteev
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Phenomenological and atomistic study of the shrinking kinetics of hollow nanospheres and nanotubes', ARNAM 2007 Annual Workshop. Conference Booklet, Kioloa, NSW (2007) [E3]
Co-authors Alexander Evteev, Irina Belova, Elena Levchenko
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Effect of surface segregation on the structure of Pd-Ni alloy nanoparticles', ARNAM 2007 Annual Workshop. Conference Booklet, Kioloa, NSW (2007) [E3]
Co-authors Alexander Evteev, Irina Belova, Elena Levchenko
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Hollow nanospheres and nanotubes: Diffusion and stability', DIFTRANS-07. 4th International Workshop. Diffusion and Diffusional Phase Transformations in Alloys. Abstract Booklet, Sofiyivka, Ukraine (2007) [E3]
Co-authors Alexander Evteev, Elena Levchenko, Irina Belova
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Surface segregation in bimetallic Pd-Ni Nanoparticles: a molecular dynamics study', DIFTRANS-07. 4th International Workshop. Diffusion and Diffusional Phase Transformations in Alloys. Abstract Booklet, Sofiyivka, Ukraine (2007) [E3]
Co-authors Irina Belova, Elena Levchenko, Alexander Evteev
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Recent simulation and analytical findings on carbon diffusion processes in austenite', DIFTRANS-07. 4th International Workshop. Diffusion and Diffusional Phase Transformations in Alloys. Abstract Booklet, Sofiyivka, Ukraine (2007) [E3]
Co-authors Alexander Evteev, Irina Belova, Elena Levchenko
2007 Belova IV, Evteev AV, Levchenko EV, Murch GE, 'The formation, stability and shrinkage of hollow nanocrystalline structures', NMD-ATM 2007. 61st Annual Technical Meeting. Programme and Abstracts, Mumbai, India (2007) [E3]
Co-authors Alexander Evteev, Elena Levchenko, Irina Belova
2007 Belova IV, Murch GE, 'Bridging different length and time scales in diffusion problems using a lattice Monte Carlo method', Solid State Phenomena: Proceedings of the Symposium: Multiscale Kinetic Modelling of Materials, Warsaw, Poland (2007) [E1]
Citations Scopus - 7Web of Science - 7
Co-authors Irina Belova
2007 Belova IV, Murch GE, Muthubandara NU, Ochsner A, 'Analysis of oxygen segregation at metal-oxide interfaces using a new lattice Monte Carlo method', Solid State Phenomena: Proceedings of the Symposium: Multiscale Kinetic Modelling of Materials, Warsaw, Poland (2007) [E1]
Citations Scopus - 6Web of Science - 6
Co-authors Irina Belova
2006 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics study of carbon diffusion in austenite', Diffusion in Solids and Liquids, Univ Aveiro, Aveiro, PORTUGAL (2006) [E1]
Co-authors Irina Belova, Elena Levchenko, Alexander Evteev
2005 Belova IV, Murch GE, 'Analysis of atomic concentration profiles in interdiffusion and access to non-equilibrium vacancy concentrations', Diffusion in Materials - DIMAT2004, Krakow, Poland (2005) [E1]
Co-authors Irina Belova
2005 Belova IV, Murch GE, 'Analysis of the effective diffusivity and conductivity in three-phase composite material consisting of the host and coated inclusions', Diffusion in Materials - DIMAT2004, Krakow, Poland (2005) [E1]
Co-authors Irina Belova
2005 Mishin Y, Belova IV, Murch GE, 'Atomistic modeling of diffusion in the TiAl compound', Diffusion in Materials - DIMAT2004, Krakow, Poland (2005) [E1]
Citations Scopus - 7Web of Science - 7
Co-authors Irina Belova
2005 Belova IV, Murch GE, 'Consequences on chemical diffusion in materials of sum-rule relations between phenomenological coefficients', Diffusion in Materials - DIMAT2004, Krakow, Poland (2005) [E1]
Co-authors Irina Belova
2005 Belova IV, Murch GE, 'Random-walk calculations in intermetallic compounds', Diffusion in Materials - DIMAT2004, Krakow, Poland (2005) [E1]
Citations Scopus - 8Web of Science - 2
Co-authors Irina Belova
2005 Belova IV, Brown MJ, Murch GE, 'Simulation of the phenomenological and diffusion coefficients for interstitial diffusion in interstitial solid solutions', Diffusion in Materials - DIMAT2004, Krakow, Poland (2005) [E1]
Co-authors Irina Belova
2005 Belova IV, Murch GE, 'Computer simulation of the formation of hollow nanocrystals', Diffusion Fundamentals, Leipzig (2005) [E2]
Co-authors Irina Belova
2005 Belova IV, Murch GE, 'Carbon Interstitial diffusion in y-Fe', Diffusion Fundamentals, Leipzig (2005) [E2]
Co-authors Irina Belova
2004 Belova IV, Murch GE, 'Expressions for the effective diffusivity in materials with interphase boundaries', MRS 2004 Spring Conference, San Francisco (2004) [E1]
Co-authors Irina Belova
2004 Belova IV, Brown MJ, Murch GE, 'A formalism to describe demixing of mixed oxides of large and small grain size in an electric field', MRS 2004 Spring Conference, San Francisco (2004) [E1]
Co-authors Irina Belova
2003 Belova IV, Murch GE, 'The sum-rule relation among phenomenological transport coefficients and its consequences in the analysis of collective diffusion problems', Atomic Transport in Solids: Theory and Experiments, Germany (2003) [E3]
Co-authors Irina Belova
2003 Brown MJ, Belova IV, Murch GE, 'Prediction of High Temperature Demixing in Oxides in an Electric Field or an Oxygen Potential Gradient', Proceedings of the International Conference on Advanced in Materials and Processing Technologies (AMPT 2003), Dublin, Republic of Ireland (2003) [E2]
Co-authors Irina Belova
2003 Belova IV, Murch GE, 'Monte Carlo Simulation of the Effective Thermal Conductivity in Two-Phase Material', Proceedings of the International Conference on Advanced in Materials and Processing Technologies (AMPT 2003), Dublin, Republic of Ireland (2003) [E2]
Co-authors Irina Belova
2003 Murch GE, Belova IV, 'The effective diffusivity in porous media and nanocrystalline materials', Mass and Charge Transport in Inorganic Materials II, Florence, Italy (2003) [E1]
Co-authors Irina Belova
2003 Murch GE, Belova IV, 'Diffusion in Multicomponent Alloys', Mass and Charge Transport in Inorganic Materials II, Florence, Italy (2003) [E2]
Co-authors Irina Belova
2003 Belova IV, Murch GE, 'Diffusion kinetics in nonstoichiometric intermetallic compounds', Mass and Charge Transport in Inorganic Materials II, Florence, Italy (2003) [E1]
Co-authors Irina Belova
2002 Belova IV, Murch GE, 'Estimation of the phenomenological effective diffusivity in nanocrystalline materials', 2002 Spring Meeting Proceedings - MRS Proceedings Volume 731, San Francisco (2002) [E1]
Citations Scopus - 2
Co-authors Irina Belova
2002 Belova IV, Murch GE, 'Time Dependence of the Segregation of Diffusing Solute in Nanocrystalline Materials', 2002 Spring Meeting Proceedings - MRS Proceedings Volume 731, San Francisco (2002) [E1]
Co-authors Irina Belova
2001 Belova IV, Murch GE, 'A Simulation Study of Tracer Diffusion Concentration Profiles Resulting from the Transition from Dislocation Pipes to a Grain Boundary Slab', 2001 Spring Meeting Proceedings Symposium AA Advances in Materials Tehory and Modelling--Bridging Over Multiple-Length and Time Scales, San Francisco (2001) [E1]
Co-authors Irina Belova
2001 Riley DP, Belova IV, Murch GE, 'Percolation/Diffusion through the Void Space of a Bed of Randomly Packed Particles of Different Sizes', 2001 Spring Meeting Proceedings Symposium AA Advances in Materials Theory and Modelling--Bridging Over Multiple-Length and Time Scales, San Francisco (2001) [E1]
Citations Scopus - 1
Co-authors Irina Belova
2001 Belova IV, Murch GE, 'Diffusion in the Presence of Grain Boundaries: a Variable Length Scale Simulation Method', 2001 Spring Meeting Proceedings Symposium AA Advances in Materials Theory and Modelling--Bridging Over Multiple-Length and Time Scales, San Francisco (2001) [E1]
Co-authors Irina Belova
2001 Belova IV, Murch GE, 'The Origin of the Vacancy-Wind Effect in Intermetallic Compounds', Nonstoichiometric Ceramics and Intermetallics, Italy (2001) [E3]
Co-authors Irina Belova
2001 Belova IV, Murch GE, 'A theory of diffusion in nonstoichiometric intermetallic compounds', Nonstoichiometric Ceramics and Intermetallics, Italy (2001) [E3]
Co-authors Irina Belova
1999 Belova IV, Murch GE, 'Impurity diffusion kinetics in nickel-based intermetallic compounds of the L1_2 structure', Abstracts of the 1999 MRS Spring Meeting, San Francisco (1999) [E3]
Co-authors Irina Belova
1999 Murch GE, Belova IV, 'The contribution of the six-jump-cycle mechanism to tracer diffusion in intermetallic compounds', Abstracts of the 1999 MRS Spring Meeting, San Francisco (1999) [E3]
Co-authors Irina Belova
1999 Belova IV, Murch GE, 'Diffusion in the intermetallic compound CoGa', Proceedings of the International Conference on advances in materials and processing technologies, Dublin (1999) [E1]
Co-authors Irina Belova
1999 Murch GE, Belova IV, 'Diffusion in nickel-based intermetallic compounds taking the L1_2 structure', Proceedings of the international conference on advances in materials and processing technologies, Dublin (1999) [E1]
Citations Scopus - 3Web of Science - 2
Co-authors Irina Belova
1998 Belova IV, Murch GE, 'Analysis of impurity diffusion in ordered alloys and intermetallic compounds of the L12 type', Materials REsearch Society Symposium Proceedings Volume 527, San Francisco, April 13-16, 1998 (1998) [E1]
Citations Web of Science - 5
Co-authors Irina Belova
1998 Murch GE, Belova IV, 'Theory and simulation of diffusion kinetics in intermetallic compounds', Materials Research Society Symposium Proceedings Volume 527, San Francisco, April 13-16, 1998 (1998) [E1]
Citations Web of Science - 19
Co-authors Irina Belova
1997 Belova IV, Murch GE, 'A theory of impurity diffusion in intermetallic compounds and ordered alloys', BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, LOWER SAXONY, GERMANY (1997)
Citations Scopus - 5Web of Science - 4
Co-authors Irina Belova
1997 Belova IV, Murch GE, 'A theory of tracer diffusion in the Ising ordered alloy', DEFECT AND DIFFUSION FORUM, NORDKIRCHEN, GERMANY (1997)
Citations Scopus - 5Web of Science - 7
Co-authors Irina Belova
1995 Murch GE, 'Computer simulation of the thermodynamics and diffusion in nonstoichiometric materials', RADIATION EFFECTS AND DEFECTS IN SOLIDS, ECOLE NORMALE SUPIRIEURE LYON, LYON, FRANCE (1995)
DOI 10.1080/10420159508227175
1990 MURCH GE, ZHANG L, 'MONTE-CARLO SIMULATION OF DIFFUSION IN SOLIDS - SOME RECENT DEVELOPMENTS', DIFFUSION IN MATERIALS, AUSSOIS, FRANCE (1990)
Citations Web of Science - 6
Show 67 more conferences
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Grants and Funding

Summary

Number of grants 49
Total funding $7,330,650

Click on a grant title below to expand the full details for that specific grant.


20141 grants / $8,847

2014 International Visitor from Pennsylvania State University, USA$8,847

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch, Professor Zi-Kui Liu
Scheme International Research Visiting Fellowship
Role Lead
Funding Start 2014
Funding Finish 2014
GNo G1400852
Type Of Funding Internal
Category INTE
UON Y

20132 grants / $1,115,000

Derivation and Calculation of Onsager Transport Coefficients in Mass Transport and Thermotransport$810,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Irina Belova, Professor Graeme Murch, Professor Yongho Sohn
Scheme Discovery Projects
Role Investigator
Funding Start 2013
Funding Finish 2013
GNo G1200054
Type Of Funding Aust Competitive - Commonwealth
Category 1CS
UON Y

Structural design of third generation biomaterials$305,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch, Doctor Thomas Fiedler, Professor Aldo Boccaccini
Scheme Discovery Projects
Role Lead
Funding Start 2013
Funding Finish 2013
GNo G1200061
Type Of Funding Aust Competitive - Commonwealth
Category 1CS
UON Y

20122 grants / $50,000

An aberration corrected analytical Transmission Electron Microsope for nanoscale characterisation of materials$30,000

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Elena Pereloma, Professor Shi Xue Dou, Professor Peter Hodgson, Professor Gordon Wallace, Dr David Wexler, Professor Graeme Murch, Dr Zhixin Chen, Dr Ilana Timokhina, Dr Hossein Beladi, Dr Nicole Stanford, Dr Pavel Cizek, Dr Dhriti Bhattacharyya, Professor Irina Belova, Dr Frank Barbaro
Scheme Equipment Grant
Role Lead
Funding Start 2012
Funding Finish 2012
GNo G1100809
Type Of Funding Internal
Category INTE
UON Y

Development of Wire Explosion Technology for the Synthesis of Nanoparticles$20,000

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch, Doctor Elena Levchenko, Doctor Alexander Evteev
Scheme Near Miss Grant
Role Lead
Funding Start 2012
Funding Finish 2012
GNo G1200670
Type Of Funding Internal
Category INTE
UON Y

20101 grants / $360,000

Design of hallow nanoparticles of titania for the sustainable production of hydrogen from water using sunlight$360,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Irina Belova, Professor Graeme Murch
Scheme Discovery Projects
Role Investigator
Funding Start 2010
Funding Finish 2010
GNo G0189976
Type Of Funding Aust Competitive - Commonwealth
Category 1CS
UON Y

20091 grants / $60,000

2009 Near Miss Grant for DP0985268, DP0984793, DP0985799$60,000

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Irina Belova, Doctor Thomas Fiedler, Professor Andreas Oechsner, Professor Graeme Murch, Doctor Elena Levchenko, Doctor Alexander Evteev
Scheme Near Miss Grant
Role Investigator
Funding Start 2009
Funding Finish 2009
GNo G0189820
Type Of Funding Internal
Category INTE
UON Y

20081 grants / $2,500

DIMAT 2008, Lanzarote, Spain, 28/10/2008 - 31/10/2008$2,500

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Travel Grant
Role Lead
Funding Start 2008
Funding Finish 2008
GNo G0189633
Type Of Funding Internal
Category INTE
UON Y

20071 grants / $743,484

Computational design of titanium dioxide-based ceramics for the renewable energy technology platform: Solar-Hydrogen$743,484

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Discovery Projects
Role Lead
Funding Start 2007
Funding Finish 2007
GNo G0186247
Type Of Funding Aust Competitive - Commonwealth
Category 1CS
UON Y

20061 grants / $524,282

PRC - Priority Research Centre for Geotechnical & Materials Modelling$524,282

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Laureate Professor Scott Sloan, Professor Irina Belova, Emeritus Professor John Carter, Professor Graeme Murch, Professor Daichao Sheng, Professor Stephen Fityus, Professor Andrei Lyamin, Associate Professor Andrew Abbo, Associate Professor Kristian Krabbenhoft
Scheme Priority Research Centre
Role Investigator
Funding Start 2006
Funding Finish 2006
GNo G0186948
Type Of Funding Internal
Category INTE
UON Y

20052 grants / $1,261,588

Surface processing of photo-sensitive semi-conducting oxides for solar hydrogen$1,250,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team
Scheme Linkage Projects
Role Investigator
Funding Start 2005
Funding Finish 2007
GNo
Type Of Funding Not Known
Category UNKN
UON Y

Theory for the Formation of Nanospheres$11,588

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Irina Belova, Professor Graeme Murch
Scheme Project Grant
Role Investigator
Funding Start 2005
Funding Finish 2005
GNo G0184743
Type Of Funding Internal
Category INTE
UON Y

20043 grants / $1,007,584

A Predictive Theory of Kinetic Demixing in Engineering Ceramics$990,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Irina Belova, Professor Graeme Murch
Scheme Discovery Projects
Role Investigator
Funding Start 2004
Funding Finish 2004
GNo G0182791
Type Of Funding Aust Competitive - Commonwealth
Category 1CS
UON Y

Determination of atomic transport trajetories in multicomponent intermetallics$15,084

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Irina Belova, Professor Graeme Murch
Scheme Project Grant
Role Investigator
Funding Start 2004
Funding Finish 2004
GNo G0183393
Type Of Funding Internal
Category INTE
UON Y

Diffusion in Materials, DIMAT 2004, July 18-23, 2004$2,500

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Travel Grant
Role Lead
Funding Start 2004
Funding Finish 2004
GNo G0184469
Type Of Funding Internal
Category INTE
UON Y

20032 grants / $15,359

A theory of atomic transport in nanocrystalline materials$12,959

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Irina Belova, Professor Graeme Murch
Scheme Project Grant
Role Investigator
Funding Start 2003
Funding Finish 2003
GNo G0182335
Type Of Funding Internal
Category INTE
UON Y

International Conf. on Advances in Materials and Processing Technologies (AMPT2003), Dublin Ireland 8-11 July, 2003$2,400

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Travel Grant
Role Lead
Funding Start 2003
Funding Finish 2003
GNo G0183176
Type Of Funding Internal
Category INTE
UON Y

20023 grants / $652,873

Prediction of Atomic Transport Properties in Multicomponent Engineering Alloys$631,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Discovery Projects
Role Lead
Funding Start 2002
Funding Finish 2002
GNo G0181103
Type Of Funding Aust Competitive - Commonwealth
Category 1CS
UON Y

Unmixing of Ceramic Oxide Electrolytes: A New Approach$19,373

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Irina Belova, Professor Graeme Murch
Scheme Project Grant
Role Investigator
Funding Start 2002
Funding Finish 2002
GNo G0181323
Type Of Funding Internal
Category INTE
UON Y

CIMTEC 2002 (10th Int. Ceramics Congress and 3rd Forum on New Materials Florence, Italy, 14-18 July 2002$2,500

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Travel Grant
Role Lead
Funding Start 2002
Funding Finish 2002
GNo G0182001
Type Of Funding Internal
Category INTE
UON Y

20013 grants / $212,418

A Formalism for Describing Ordering and Atomic Transport in the Grain Boundaries of Intermetallic Compounds.$192,018

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Irina Belova, Professor Graeme Murch
Scheme Large Grant
Role Investigator
Funding Start 2001
Funding Finish 2001
GNo G0179260
Type Of Funding Aust Competitive - Commonwealth
Category 1CS
UON Y

The Vacancy-Wind Effect in Disordered Alloys: A New Approach$18,000

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Irina Belova, Professor Graeme Murch
Scheme Project Grant
Role Investigator
Funding Start 2001
Funding Finish 2001
GNo G0179981
Type Of Funding Internal
Category INTE
UON Y

United Engineering Foundation Conference on Nonstoichiometric Ceramics & Intermetallics, Italy 30 Sept - 5 October 2001$2,400

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Travel Grant
Role Lead
Funding Start 2001
Funding Finish 2001
GNo G0181430
Type Of Funding Internal
Category INTE
UON Y

20003 grants / $279,608

A New Theory of Atomic Transport of Solute in Grain Boundaries$224,977

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Large Grant
Role Lead
Funding Start 2000
Funding Finish 2000
GNo G0178508
Type Of Funding Aust Competitive - Commonwealth
Category 1CS
UON Y

Self-Propagating High-Temperature Synthesis of Ti3SiC2 and Related Compounds.$52,131

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch, Professor Erich Kisi
Scheme Multi-Year Project Grant Scholarship
Role Lead
Funding Start 2000
Funding Finish 2000
GNo G0178876
Type Of Funding Internal
Category INTE
UON Y

Diffusion of Materials (DIMAT 2000), Paris, 17-21 July 2000$2,500

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Travel Grant
Role Lead
Funding Start 2000
Funding Finish 2000
GNo G0179714
Type Of Funding Internal
Category INTE
UON Y

19994 grants / $404,133

Enhancement of Diffusion in Ordered Alloys and Intermetallic Compounds by Antistructural Bridges$197,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Large Grant
Role Lead
Funding Start 1999
Funding Finish 1999
GNo G0177793
Type Of Funding Aust Competitive - Commonwealth
Category 1CS
UON Y

A Theory of Chemical Diffusion in Ordered Alloys and Intermetallic Compounds$187,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Large Grant
Role Lead
Funding Start 1999
Funding Finish 1999
GNo G0177794
Type Of Funding Aust Competitive - Commonwealth
Category 1CS
UON Y

A Kinetic Theory of Diffusion by Vacancy Pairs in Ionic Solids$18,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Small Grant
Role Lead
Funding Start 1999
Funding Finish 1999
GNo G0178101
Type Of Funding Scheme excluded from IGS
Category EXCL
UON Y

Materials Research Society Spring Meeting San Francisco, California, USA.$2,133

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Travel Grant
Role Lead
Funding Start 1999
Funding Finish 1999
GNo G0180466
Type Of Funding Internal
Category INTE
UON Y

19984 grants / $73,164

Chemical diffusion in intermetallic compounds: A comprehensive theory.$47,664

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch, Assoc. Prof C Sholl
Scheme Special Scholarship Initiative Grants
Role Lead
Funding Start 1998
Funding Finish 1998
GNo G0177745
Type Of Funding Internal
Category INTE
UON Y

Enhancement of Diffusion in Ordered Alloys by Percolation Bridges.$19,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Small Grant
Role Lead
Funding Start 1998
Funding Finish 1998
GNo G0177382
Type Of Funding Scheme excluded from IGS
Category EXCL
UON Y

PROF GE MURCH VISIT BY PROF DK CHATURVEDI 18/5-18/7/98$4,000

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Visitor Grant
Role Lead
Funding Start 1998
Funding Finish 1998
GNo G0177720
Type Of Funding Internal
Category INTE
UON Y

Materials Research Society Spring Meeting, USA 13-17 April 1998$2,500

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Travel Grant
Role Lead
Funding Start 1998
Funding Finish 1998
GNo G0180366
Type Of Funding Internal
Category INTE
UON Y

19973 grants / $195,056

A Theory of Dopant Diffusion in Ordered Alloys$175,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Large Grant
Role Lead
Funding Start 1997
Funding Finish 1997
GNo G0176158
Type Of Funding Aust Competitive - Commonwealth
Category 1CS
UON Y

Annealing of radiation damage: theory and computer simulation$18,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Small Grant
Role Lead
Funding Start 1997
Funding Finish 1997
GNo G0176549
Type Of Funding Scheme excluded from IGS
Category EXCL
UON Y

Discussion Meeting on Solute Point-Defect Interactions in Crystals, Loccum, Germany, 7-9 April 1997$2,056

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Travel Grant
Role Lead
Funding Start 1997
Funding Finish 1997
GNo G0179531
Type Of Funding Internal
Category INTE
UON Y

19964 grants / $17,206

Conductivity in a One-Dimensional Superionic Conductor.$10,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Multi-Year Small Grant Scholarship
Role Lead
Funding Start 1996
Funding Finish 1996
GNo G0175730
Type Of Funding Aust Competitive - Commonwealth
Category 1CS
UON Y

Ordering kinetics in alloys.(Renewal of 95 grant).$2,900

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Small Grant
Role Lead
Funding Start 1996
Funding Finish 1996
GNo G0175732
Type Of Funding Scheme excluded from IGS
Category EXCL
UON Y

International Conference on Diffusion in Materials (DIMAT - 96), Nordkirchen, Germany, 5-9 August 1996$2,400

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Travel Grant
Role Lead
Funding Start 1996
Funding Finish 1996
GNo G0176435
Type Of Funding Internal
Category INTE
UON Y

International Seminar on Current Developments in Disordered Materials - India, 22-24/1/96$1,906

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Travel Grant
Role Lead
Funding Start 1996
Funding Finish 1996
GNo G0176101
Type Of Funding Internal
Category INTE
UON Y

19952 grants / $183,310

95APP. Collective atomic diffusion in solids.$168,680

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Large Grant
Role Lead
Funding Start 1995
Funding Finish 1995
GNo G0174464
Type Of Funding Aust Competitive - Commonwealth
Category 1CS
UON Y

Ordering Kinetics in Alloys. RENEWED IN 1996.$14,630

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Small Grant
Role Lead
Funding Start 1995
Funding Finish 1995
GNo G0174975
Type Of Funding Scheme excluded from IGS
Category EXCL
UON Y

19943 grants / $25,000

Structural Analysis and Computer Generation of Melody$20,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch, Professor Robert Constable
Scheme Small Grant
Role Lead
Funding Start 1994
Funding Finish 1994
GNo G0174817
Type Of Funding Scheme excluded from IGS
Category EXCL
UON Y

'Europhysical Conference on Defects in Insulating Materials', Lyon, France, 5 - 8 July 1994$2,500

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Travel Grant
Role Lead
Funding Start 1994
Funding Finish 1994
GNo G0174518
Type Of Funding Internal
Category INTE
UON Y

Europhysical Conference on Defects - Lyon - 5-8 July 1994$2,500

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Travel Grant
Role Lead
Funding Start 1994
Funding Finish 1994
GNo G0175107
Type Of Funding Internal
Category INTE
UON Y

19923 grants / $139,238

92,93,94 GRANT. Theory of Vacancy Thermodynamics and Concentrations in Alloys$113,300

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Large Grant
Role Lead
Funding Start 1992
Funding Finish 1992
GNo G0173080
Type Of Funding Aust Competitive - Commonwealth
Category 1CS
UON Y

Computer Simulationof Atomic Ordering And Unmixing In A Fuel-cell Electrolyte$20,000

Funding body: ARC (Australian Research Council)

Funding body ARC (Australian Research Council)
Project Team Professor Graeme Murch
Scheme Small Grant
Role Lead
Funding Start 1992
Funding Finish 1992
GNo G0173591
Type Of Funding Scheme excluded from IGS
Category EXCL
UON Y

Numerical Correlation Function Analysis Of Musical Theme Structures$5,938

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch
Scheme Project Grant
Role Lead
Funding Start 1992
Funding Finish 1992
GNo G0174186
Type Of Funding Internal
Category INTE
UON Y
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Research Supervision

Current Supervision

Commenced Research Title / Program / Supervisor Type
2015 Modelling of Thermotransport in Engineering Materials
Mechanical Engineering, Faculty of Engineering and Built Environment
Principal Supervisor
2014 Onsager Transport Coefficients
Mechanical Engineering, Faculty of Engineering and Built Environment
Principal Supervisor
2014 Interdiffusion and Thermotransport in Engineering Materials.
Mechanical Engineering, Faculty of Engineering and Built Environment
Principal Supervisor
2012 Characterisation of Advanced Porous Materials
Mechanical Engineering, Faculty of Engineering and Built Environment
Co-Supervisor
2012 Prediction of Phonon Thermal Conductivity of Materials by Molecular Dynamics Simulation
Mechanical Engineering, Faculty of Engineering and Built Environment
Principal Supervisor
2012 Fabrication and Mechanical Properties of Advanced Lightweight Materials
Mechanical Engineering, Faculty of Engineering and Built Environment
Co-Supervisor

Past Supervision

Year Research Title / Program / Supervisor Type
2014 Ti3SiC2 and Ti3AIC2 Single Crystal Elastic Shear Modulus: Investigation via Inelastic Neutron Scattering and Computer Simulation
Mechanical Engineering, Faculty of Engineering and Built Environment
Co-Supervisor
2009 Modelling of Heat and Mass Transport in Composite Materials
Mechanical Engineering, Faculty of Engineering and Built Environment
Co-Supervisor
2006 New Toughening Methods for Thermosets
Mechanical Engineering, Faculty of Engineering and Built Environment
Co-Supervisor
2004 In-situ Neutron Diffraction Analysis of Titanium Silicon Carbide (Ti3SiC2) during Self-Propagating High-Temperature Synthesis
Mechanical Engineering, Faculty of Engineering and Built Environment
Co-Supervisor
2003 In-situ Diffraction Study of Perturbed Ferroelectric Crystal Structures
Mechanical Engineering, Faculty of Engineering and Built Environment
Co-Supervisor
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Professor Graeme Murch

Position

Professor
Joint Director: Centre for Mass and Thermal Transport in Engineering Materials
School of Engineering
Faculty of Engineering and Built Environment

Focus area

Mechanical Engineering

Contact Details

Email graeme.murch@newcastle.edu.au
Phone (02) 4921 6191
Fax (02) 4921 6946

Office

Room ES421
Building Engineering Science - D.W. George
Location Callaghan
University Drive
Callaghan, NSW 2308
Australia
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