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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

CodeDescriptionPercentage
020499Condensed Matter Physics not elsewhere classified20
030799Theoretical and Computational Chemistry not elsewhere classified40

Professional Experience

UON Appointment

DatesTitleOrganisation / Department
1/01/2014 - ProfessorUniversity of Newcastle
School of Engineering
Australia

Academic appointment

DatesTitleOrganisation / Department
1/01/2014 - 31/12/2014Conference ChairTenth International Conference on Diffusion in Solids and Liquids, Paris, France
France
1/01/2013 - 31/12/2013Conference ChairNinth International Conference on Diffusion in Solids and Liquids, Madrid, Spain
Spain
1/01/2012 - 31/12/2012Conference Chair Eighth International Conference on Diffusion in Solids and Liquids, Istanbul, Turkey
Turkey
1/01/2012 - Editorial BoardInternational Journal of Biomaterials Research and Engineering
Australia
1/01/2012 - Editorial Board International Journal of Nanotechnology and Molecular Computation
Australia
1/01/2011 - 31/12/2011Conference Chair Seventh International Conference on Diffusion in Solids and Liquids, Algarve, Portugal
Portugal
1/01/2011 - Editorial BoardArchives of Metallurgy and Materials
Australia
1/01/2011 - 1/12/2011FellowTechnion Society of Australia
Australia
1/01/2011 - Editorial Board - ComputationComputation
Australia
1/01/2010 - Editorial BoardJournal of Nano Research
Australia
1/01/2010 - 31/12/2010Conference Chair Sixth International Conference on Diffusion in Solids and Liquids, Paris, France
France
1/01/2009 - 31/12/2009Conference ChairFifth International Conference on Diffusion in Solids and Liquids, Rome, Italy
Italy
1/01/2008 - 31/12/2008Conference Chair Fourth International Conference on Diffusion in Solids and Liquids, Barcelona, Spain
Spain
1/01/2007 - 31/12/2007Conference Chair Third International Conference on Diffusion in Solids and Liquids, Algarve, Portugal
Portugal
1/01/2005 - Editorial BoardDiffusion Fundamentals
Australia
1/01/2000 - Editorial BoardTransport 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 - 1/10/1993Associate professorUniversity of Newcastle
School of Engineering and Built Environments
Australia
1/06/1986 - 1/12/1987Senior lecturerUniversity of Newcastle
Engineering & Built Environment
Australia
1/01/1984 - Editorial BoardSolid State Phenomena
Australia
1/01/1980 - 31/12/1990Editorial Board Atomic Transport Activity of the ASM
Australia
1/05/1973 - 1/05/1975AINSE FellowFlinders University
School of Physical Sciences
Australia
1/05/1973 - 1/05/1975FellowAINSE (Australian Institute of Nuclear Science & Engineering)

Professional appointment

DatesTitleOrganisation / Department
1/04/1985 - 1/06/1986Principal Research ScientistICI
Research Laboratories
Australia
1/05/1975 - 1/04/1985Staff scientistArgonne National Laboratories, Chicago
Materials Science and Technology Division
United States

Awards

Distinction

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

Honours

YearAward
2005Excellence in Engineering Education Award
Unknown

Recognition

YearAward
2011Defect and Diffusion Forum
Trans Tech Publications Inc.

Research Award

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

Invitations

Keynote Speaker

YearTitle / Rationale
197960 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.
Edit

Publications

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


Book (18 outputs)

YearCitationAltmetricsLink
2014Murch G, Ochsner A, Belova I, Diffusion in Advanced Materials, Trans Tech, Switzerland, 220 (2014) [A3]
DOI10.4028/www.scientific.net/DF.1
Co-authorsIrina Belova
2013Murch G, Belova I, Ochsner A, Heat Transfer Processes in Engineering Materials, Trans Tech Publication, Zurich, 228 (2013) [A3]
Co-authorsIrina Belova
2011Ochsner A, Murch GE, Heat Transfer in Multi-Phase Materials, Springer, Heidelberg, 460 (2011) [A3]
2010Ochsner A, Murch G, Shokufar A, Delgado JMPQ, Diffusion in Solids and Liquids V, Trans Tech Publications Inc, Zurich, Switzerland, 1600 (2010) [E4]
2010Ochsner A, Murch G, Shokufar A, Delgado JMPQ, Diffusion in Solids and Liquids V, Trans Tech Publications Inc, Zurich, Switzerland, 1600 (2010) [E4]
2009Shokuhfar A, Murch GE, Shokuhfar A, Diffusion in Solids and Liquids IV, Trans Tech Publication, Zurich, 724 (2009) [E4]
2009Shokuhfar A, Murch GE, Shokuhfar A, Diffusion in Solids and Liquids IV, Trans Tech Publication, Zurich, 724 (2009) [E4]
2008Öchsner A, Murch GE, Diffusion in Solids and Liquids III, TTP, Zurich, 837 (2008) [E4]
2008Ochsner A, Murch GE, Lemos MJSD, Cellular and Porous Materials: Thermal Properties Simulation and Prediction, Wiley-VCH, Weinham, Germany, 442 (2008) [A3]
CitationsScopus - 19
2008Öchsner A, Murch GE, Diffusion in Solids and Liquids III, TTP, Zurich, 837 (2008) [E4]
2008Beke DL, Diffusion and Diffusional Phase Transformation in Alloys, Trans Tech Publication, Zurch, 230 (2008) [E4]
2008Tikare V, Theory, Modeling and Numerical Simulation of Multi-physics Materials Behavior, Trans Tech Publications, Zurich, 168 (2008) [E4]
2007Kozubski R, Murch GE, Zieba P, Multiscale Kinetic Modelling of Materials, Trans Tech Publication, Zurich, 168 (2007)
2003Belova IV, Murch GE, Defect and diffusion forum (vol 210, pg 55, 2002), TRANS TECH PUBLICATIONS LTD, 1 (2003)
Author URL
1984Murch GE, Birnbaum HK, AIME MSO, Activity ASFMAT, Nontraditional methods in diffusion, Tms, Warrendale, 311 (1984)
1984Murch GE, DIFFUSION IN CRYSTALLINE SOLIDS, Academic Press, orlando, 482 (1984)
1984Murch GE, Birnbaum HK, AIME MSO, Activity ASFMAT, Nontraditional methods in diffusion, Tms, Warrendale, 311 (1984)
1984Murch GE, DIFFUSION IN CRYSTALLINE SOLIDS, Academic Press, orlando, 482 (1984)
Show 15 more books

Chapter (11 outputs)

YearCitationAltmetricsLink
2013Evteev 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]
DOI10.1007/8611_2011_60
Co-authorsElena Levchenko, Irina Belova, Alexander Evteev
2011Fiedler 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]
CitationsScopus - 1
Co-authorsThomas Fiedler, Irina Belova
2010Fiedler 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-authorsThomas Fiedler, Irina Belova
2008Öchsner A, Murch GE, de Lemos MJS, 'Preface', , John Wiley and Sons (2008) [B2]
DOI10.1002/9783527621408
2008Belova 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]
CitationsScopus - 1
Co-authorsIrina Belova
2001Murch GE, 'Diffusion Kinetics in Solids', Phase Transformations in Materials, Weinheim, New York 171-238 (2001) [B2]
1999Murch 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]
1998Murch 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]
1985Murch GE, 'Tracer Diffusion in an Ordered Alloy: Application of the Path Probability and Monte Carlo Methods', 67-95 (1985) [B1]
1984Murch GE, 'Simulation of Diffusion Kinetics with the Monte Carlo Method', , Academic Press 379-427 (1984) [B1]
1979Murch 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 (398 outputs)

YearCitationAltmetricsLink
2015Evteev 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)
DOI10.1080/14786435.2014.984006Author URL
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2015Taherishargh 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 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.

DOI10.1016/j.matdes.2014.10.073
CitationsScopus - 1
Co-authorsThomas Fiedler, Irina Belova
2015Evteev 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 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.

DOI10.1080/14786435.2014.984006
Co-authorsIrina Belova, Elena Levchenko, Alexander Evteev
2015Taherishargh 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 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.

DOI10.1016/j.msea.2015.03.061
Co-authorsThomas Fiedler
2014Kulkarni 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 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).

DOI10.1007/s11669-014-0344-4
CitationsWeb of Science - 1
Co-authorsIrina Belova
2014Fiedler 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]
DOI10.1016/j.ijheatmasstransfer.2014.02.056Author URL
CitationsScopus - 2Web of Science - 3
Co-authorsIrina Belova, Thomas Fiedler
2014Allnatt 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 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.

DOI10.1080/14786435.2014.916426
CitationsScopus - 2Web of Science - 1
Co-authorsIrina Belova
2014Fiedler 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 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.

DOI10.1016/j.mechmat.2013.09.007
CitationsScopus - 1Web of Science - 1
Co-authorsThomas Fiedler, Irina Belova
2014Taherishargh 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]
DOI10.1016/j.matdes.2014.06.019Author URL
CitationsScopus - 4Web of Science - 4
Co-authorsThomas Fiedler, Irina Belova
2014Nowotny 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, 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.

DOI10.1016/j.ijhydene.2013.12.114
CitationsScopus - 4Web of Science - 4
2014Sulong 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]
DOI10.1016/j.msea.2014.04.037Author URL
CitationsScopus - 2Web of Science - 3
Co-authorsThomas Fiedler, Irina Belova
2014Taherishargh 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 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.

DOI10.1016/j.msea.2014.03.003
CitationsScopus - 4Web of Science - 5
Co-authorsThomas Fiedler, Irina Belova
2014Fiedler 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, 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.

DOI10.1016/j.commatsci.2013.08.021
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova, Thomas Fiedler
2014Fiedler 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 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.

DOI10.1016/j.commatsci.2014.07.029
CitationsWeb of Science - 1
Co-authorsIrina Belova, Thomas Fiedler
2014Evteev 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 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.

DOI10.1016/j.commatsci.2014.09.028
Co-authorsElena Levchenko, Irina Belova, Alexander Evteev
2014Nowotny 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 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.

DOI10.1179/1743280414Y.0000000039
CitationsWeb of Science - 1
Co-authorsIrina Belova
2014Fiedler 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 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.

DOI10.1007/s10856-014-5264-7
CitationsScopus - 1Web of Science - 1
Co-authorsThomas Fiedler, Irina Belova
2014Sowa 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 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.

DOI10.1016/j.intermet.2014.07.002
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2014Öchsner A, Murch GE, Shokuhfar A, Delgado JMPQ, 'Preface', Defect and Diffusion Forum, 353 (2014) [C3]
2014Allnatt 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]
DOI10.1080/14786435.2014.916426Author URL
CitationsWeb of Science - 1
Co-authorsIrina Belova
2014Evteev 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 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.

DOI10.1080/14786435.2013.861090
CitationsScopus - 4Web of Science - 4
Co-authorsElena Levchenko, Alexander Evteev, Irina Belova
2014Allnatt 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 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.

DOI10.1080/14786435.2014.916426
CitationsScopus - 2
Co-authorsIrina Belova
2014Evteev 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 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.

DOI10.1080/14786435.2014.965236
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2014Belova 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 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.

DOI10.1080/14786435.2014.965234
Co-authorsIrina Belova
2014Belova 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)
DOI10.1080/14786435.2014.965234
Co-authorsIrina Belova
2014Evteev 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)
DOI10.1080/14786435.2014.969351
Co-authorsAlexander Evteev, Elena Levchenko, Irina Belova
2014Evteev 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 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.

DOI10.1080/14786435.2014.969351
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2014Evteev 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 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.

DOI10.1080/14786435.2014.984006
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2014Kulkarni 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)
DOI10.1007/s11669-014-0352-4Author URL
Co-authorsIrina Belova
2014Kulkarni 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 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).

DOI10.1007/s11669-014-0344-4
CitationsWeb of Science - 1
Co-authorsIrina Belova
2014Öchsner A, Belova IV, Murch GE, 'Preface', Journal of Nano Research, 26 (2014) [C3]
Co-authorsIrina Belova
2014Murch 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]
DOI10.1179/1743280414Y.0000000039
Co-authorsIrina Belova
2014Murch 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-authorsElena Levchenko, Irina Belova, Alexander Evteev
2013Fiedler 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]
DOI10.1016/j.expthermflusci.2012.09.003Author URL
CitationsScopus - 4Web of Science - 4
Co-authorsThomas Fiedler, Irina Belova
2013Veyhl 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]
DOI10.1016/j.msea.2012.11.034Author URL
CitationsScopus - 2Web of Science - 3
Co-authorsThomas Fiedler, Irina Belova
2013Fiedler 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]
DOI10.1016/j.commatsci.2013.03.010Author URL
CitationsScopus - 1Web of Science - 1
Co-authorsThomas Fiedler, Irina Belova
2013Levchenko 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]
DOI10.1016/j.commatsci.2013.06.005Author URL
CitationsScopus - 2Web of Science - 2
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2013Levchenko 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]
DOI10.1080/09500839.2012.729960Author URL
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2013Ochsner A, Belova I, Murch G, 'Preface: Defect and Diffusion Forum V.336', Defect and Diffusion Forum, 336 1-1 (2013) [C3]
Co-authorsIrina Belova
2013Öchsner A, Murch GE, Shokuhfar A, Delgado JMPQ, 'Preface', Defect and Diffusion Forum, 334-335 (2013)
2013Ochsner A, Belova I, Murch G, 'Preface: Defect and Diffusion Forum v. 333', Defect and Diffusion Forum, 333 (2013) [C3]
Co-authorsIrina Belova
2013Momenzadeh 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]
DOI10.4028/www.scientific.net/DDF.336.169
Co-authorsAlexander Evteev, Elena Levchenko, Irina Belova
2013Belova IV, Murch GE, 'Interdiffusion in Intermetallics', METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 44A 4417-4421 (2013) [C3]
DOI10.1007/s11661-013-1853-1Author URL
Co-authorsIrina Belova
2013Fiedler 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]
DOI10.1016/j.applthermaleng.2013.04.022Author URL
CitationsScopus - 1Web of Science - 1
Co-authorsThomas Fiedler, Irina Belova
2013Belova 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]
DOI10.1080/14786435.2013.813982Author URL
CitationsScopus - 4Web of Science - 4
Co-authorsIrina Belova
2013Sowa 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 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.

DOI10.1080/14786435.2012.742591
CitationsScopus - 2Web of Science - 2
Co-authorsElena Levchenko, Irina Belova, Alexander Evteev
2013Oechsner A, Belova IV, Murch GE, 'Preface: Journal of Nano Research v. 21', JOURNAL OF NANO RESEARCH, 21 (2013) [C3]
Author URL
2013Balucan 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]
DOI10.1016/j.ijggc.2013.05.004Author URL
CitationsScopus - 9Web of Science - 7
Co-authorsIrina Belova, Eric Kennedy, Bogdan Dlugogorski
2012Fiedler 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]
CitationsScopus - 5Web of Science - 5
Co-authorsThomas Fiedler, Irina Belova
2012Veyhl 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]
CitationsScopus - 12Web of Science - 14
Co-authorsThomas Fiedler, Irina Belova
2012Evteev 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]
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova, Elena Levchenko, Alexander Evteev
2012Fiedler T, Belova IV, Murch GE, Roether JA, Boccaccini AR, 'Tailoring elastic properties of PLGA/TiO2 biomaterials', Computational Materials Science, 61 283-286 (2012) [C1]
CitationsScopus - 4Web of Science - 4
Co-authorsThomas Fiedler, Irina Belova
2012Hossain 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]
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova, Alexander Evteev
2012Levchenko 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]
CitationsScopus - 10Web of Science - 9
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2012Öchsner A, Murch G, 'Preface', Defect and Diffusion Forum, 322 (2012)
2012Mehrer 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-authorsIrina Belova
2012Ochsner 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]
2012Fiedler 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]
CitationsScopus - 5Web of Science - 4
Co-authorsIrina Belova, Thomas Fiedler
2012Fiedler 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]
DOI10.1002/adem.201100205
CitationsScopus - 6Web of Science - 4
Co-authorsIrina Belova, Thomas Fiedler
2012Belova IV, Fiedler T, Kulkarni N, Murch GE, 'The Harrison diffusion kinetics regimes in solute grain boundary diffusion', Philosophical Magazine, 92 1748-1763 (2012) [C1]
CitationsScopus - 2Web of Science - 3
Co-authorsThomas Fiedler, Irina Belova
2012Levchenko 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]
CitationsScopus - 1Web of Science - 1
Co-authorsElena Levchenko, Alexander Evteev, Irina Belova
2012Ochsner 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-authorsIrina Belova
2012Hossain 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]
CitationsScopus - 3Web of Science - 3
Co-authorsAlexander Evteev, Irina Belova
2012Hossain 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 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-authorsIrina Belova, Alexander Evteev
2012Fiedler 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-authorsIrina Belova, Thomas Fiedler
2012Veyhl 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]
CitationsWeb of Science - 2
Co-authorsIrina Belova, Thomas Fiedler
2012Ochsner 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]
2011Belova IV, Mehrer H, Murch GE, 'Diffusion correlation effects of molybdenum and silicon in molybdenum disilicide', Philosophical Magazine, 91 3727-3743 (2011) [C1]
CitationsScopus - 2Web of Science - 2
Co-authorsIrina Belova
2011Ochsner 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]
CitationsScopus - 1
Co-authorsIrina Belova
2011Oechsner A, Belova IV, Murch GE, 'Preface', JOURNAL OF NANO RESEARCH, 13 I-I (2011) [C3]
Author URL
2011Oechsner A, Belova IV, Murch GE, 'Preface', JOURNAL OF NANO RESEARCH, 16 III-III (2011) [C3]
Author URL
2011Öchsner A, Belova IV, Murch GE, 'Journal of Nano Research: Preface', Journal of Nano Research, 13 (2011) [C3]
DOI10.4028/www.scientific.net/JNanoR.13.2
2011Ochsner A, Belova IV, Murch GE, 'Editors', Journal of Nano Research, 13 (2011) [C6]
Co-authorsIrina Belova
2011Öchsner A, Murch GE, 'Preface', Advanced Structured Materials, 2 (2011)
2011Veyhl 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]
DOI10.1016/j.msea.2011.02.031
CitationsScopus - 21Web of Science - 20
Co-authorsThomas Fiedler, Irina Belova
2011Hossain 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]
DOI10.1016/j.commatsci.2010.10.044
CitationsScopus - 8Web of Science - 8
Co-authorsIrina Belova, Eric Kennedy, Bogdan Dlugogorski
2011Fiedler T, Belova IV, Murch GE, 'Numerical simulation of Knudsen diffusion in metallic foam', Computational Materials Science, 50 1795-1799 (2011) [C1]
DOI10.1016/j.commatsci.2011.01.017
CitationsScopus - 3Web of Science - 3
Co-authorsIrina Belova, Thomas Fiedler
2011Fiedler 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]
DOI10.1016/j.commatsci.2011.08.015
CitationsScopus - 4Web of Science - 3
Co-authorsIrina Belova, Thomas Fiedler
2011Fiedler T, Belova IV, Murch GE, 'A comparative study of Knudsen diffusion in cellular metals', Computational Materials Science, 50 2666-2670 (2011) [C1]
DOI10.1016/j.commatsci.2011.04.016
CitationsScopus - 2Web of Science - 2
Co-authorsIrina Belova, Thomas Fiedler
2011Hossain 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]
DOI10.1016/j.commatsci.2011.01.003
CitationsScopus - 4Web of Science - 4
Co-authorsEric Kennedy, Irina Belova, Bogdan Dlugogorski
2011Veyhl 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]
DOI10.1002/mawe.201100787
CitationsScopus - 6Web of Science - 8
Co-authorsThomas Fiedler, Irina Belova
2011Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics simulation of diffusion in a (110) B2-NiAl film', Intermetallics, 19 848-854 (2011) [C1]
DOI10.1016/j.intermet.2011.01.010
CitationsScopus - 3Web of Science - 3
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2011Evteev 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]
DOI10.1016/j.intermet.2011.02.012
CitationsScopus - 9Web of Science - 10
Co-authorsIrina Belova, Elena Levchenko, Alexander Evteev
2011Öchsner A, Murch GE, Delgado JMPQ, 'Defect and Diffusion Forum: Preface', Defect and Diffusion Forum, 312-315 (2011) [C3]
2011Levchenko 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]
CitationsScopus - 7Web of Science - 7
Co-authorsAlexander Evteev, Irina Belova, Elena Levchenko
2011Belova IV, Veyhl C, Fiedler T, Murch GE, 'Analysis of anisotropic behaviour of thermal conductivity in cellular metals', Scripta Materialia, 65 436-439 (2011) [C1]
DOI10.1016/j.scriptamat.2011.05.029
CitationsScopus - 10Web of Science - 8
Co-authorsThomas Fiedler, Irina Belova
2011Levchenko 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]
DOI10.1039/C0CP00376J
CitationsScopus - 5Web of Science - 5
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2010Oechsner A, Belova IV, Murch GE, 'Preface', JOURNAL OF NANO RESEARCH, 11 III-III (2010) [C3]
Author URL
2010Öchsner A, Belova IV, Murch GE, 'Journal of Nano Research: Preface', Journal of Nano Research, 11 (2010) [C3]
DOI10.4028/www.scientific.net/JNanoR.11.0
2010Fiedler 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-authorsIrina Belova, Thomas Fiedler
2010Fiedler T, Belova IV, Murch GE, Öchsner A, 'Recent Advances in the Prediction of the Thermal Properties of Metallic Hollow Sphere Structures 73-110 (2010)
DOI10.1002/9783527632312.ch3
Co-authorsThomas Fiedler, Irina Belova
2010Eliasson B, Stenflo L, Bingham R, Mendonca JT, Mamun AA, Shaikh D, 'Preface', JOURNAL OF PLASMA PHYSICS, 76 257-257 (2010) [C3]
DOI10.1017/S0022377809990936Author URL
2010Hossain MF, Dlugogorski BZ, Kennedy EM, Belova IV, Murch GE, 'Electronic, optical and bonding properties of MgCO3', Solid State Communications, 150 848-851 (2010) [C1]
DOI10.1016/j.ssc.2010.02.008
CitationsScopus - 6Web of Science - 6
Co-authorsBogdan Dlugogorski, Irina Belova, Eric Kennedy
2010Veyhl 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]
DOI10.1016/j.finel.2009.12.003
CitationsScopus - 15Web of Science - 16
Co-authorsIrina Belova, Thomas Fiedler
2010Levchenko 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]
DOI10.1016/j.commatsci.2009.10.014
CitationsScopus - 28Web of Science - 27
Co-authorsElena Levchenko, Irina Belova, Alexander Evteev
2010Fiedler T, Belova IV, Murch GE, 'A Lattice Monte Carlo analysis on coupled reaction and mass diffusion', Computational Materials Science, 47 826-831 (2010) [C1]
DOI10.1016/j.commatsci.2009.11.010
CitationsScopus - 3Web of Science - 1
Co-authorsIrina Belova, Thomas Fiedler
2010Levchenko 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]
DOI10.1016/j.commatsci.2010.09.006
CitationsScopus - 12Web of Science - 12
Co-authorsAlexander Evteev, Elena Levchenko, Irina Belova
2010Fiedler 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]
DOI10.1016/j.commatsci.2010.09.011
CitationsScopus - 19Web of Science - 21
Co-authorsIrina Belova, Thomas Fiedler
2010Murch 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]
DOI10.1016/j.commatsci.2010.04.007
CitationsScopus - 20Web of Science - 18
Co-authorsAlexander Evteev, Irina Belova
2010Levchenko 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]
DOI10.1016/j.commatsci.2010.08.022
CitationsScopus - 8Web of Science - 8
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2010Fiedler 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]
DOI10.1002/mawe.201000593
CitationsScopus - 2Web of Science - 2
Co-authorsThomas Fiedler, Scott Sloan, Irina Belova, Ho-Sung Kim
2010Farnsworth 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]
DOI10.1002/mawe.201000598
CitationsScopus - 3Web of Science - 3
Co-authorsThomas Fiedler, Irina Belova
2010Öchsner A, Murch GE, Shokuhfar A, Delgado JMPQ, 'Defect and Diffusion Forum: Preface', Defect and Diffusion Forum, 297-301 (2010) [C3]
DOI10.4028/www.scientific.net/DDF.297-301.-3
2010Talley NJ, DeVault KR, Fleischer DE, 'Preface', Practical Gastroenterology and Hepatology: Esophagus and Stomach, (2010)
DOI10.1002/9781444327311
2010Talley NJ, Kane SV, Wallace MB, 'Preface', Practical Gastroenterology and Hepatology: Small and Large Intestine and Pancreas, (2010)
DOI10.1002/9781444328417
2009Belova IV, Murch GE, 'Analysis of kinetics regimes in grain boundary self-diffusion', Philosophical Magazine, 89 665-675 (2009) [C1]
DOI10.1080/14786430802555714
CitationsScopus - 10Web of Science - 9
Co-authorsIrina Belova
2009Belova IV, Murch GE, Oechsner A, 'Preface', JOURNAL OF NANO RESEARCH, 7 III-III (2009) [C3]
Author URL
Co-authorsMarcel Maeder
2009Belova IV, Murch GE, Öchsner A, 'Journal of Nano Research: Preface', Journal of Nano Research, 7 (2009) [C3]
DOI10.4028/www.scientific.net/JNanoR.7.0
2009Evteev 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]
DOI10.4028/www.scientific.net/jnanor.7.11
CitationsScopus - 7Web of Science - 8
Co-authorsElena Levchenko, Alexander Evteev, Irina Belova
2009Belova 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]
DOI10.4028/www.scientific.net/jnanor.7.19
CitationsScopus - 3Web of Science - 3
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2009Murch 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-authorsIrina Belova, Elena Levchenko, Alexander Evteev
2009Belova 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]
DOI10.1063/1.3264719
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova
2009Hossain MF, Murch GE, Belova IV, Turner BD, 'Electronic, optical and bonding properties of CaCO3 calcite', Solid State Communications, 149 1201-1203 (2009) [C1]
DOI10.1016/j.ssc.2009.04.026
CitationsScopus - 15Web of Science - 13
Co-authorsIrina Belova
2009Fiedler 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]
DOI10.1016/j.matlet.2008.10.030
CitationsScopus - 17Web of Science - 17
Co-authorsThomas Fiedler, Irina Belova
2009Fiedler 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]
DOI10.1016/j.commatsci.2008.10.021
CitationsScopus - 9Web of Science - 6
Co-authorsThomas Fiedler, Irina Belova
2009Fiedler 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]
DOI10.1016/j.commatsci.2009.08.007
CitationsScopus - 14Web of Science - 13
Co-authorsIrina Belova, Thomas Fiedler
2009Fiedler 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]
DOI10.1002/mawe.200900419
CitationsScopus - 17Web of Science - 16
Co-authorsThomas Fiedler, Irina Belova
2009Evteev 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]
DOI10.1080/09500830903321384
CitationsScopus - 19Web of Science - 19
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2009Öchsner A, Murch GE, Shokuhfar A, 'Diffusion and Defect Data. Pt A Defect and Diffusion Forum: Preface', Defect and Diffusion Forum, 283-286 (2009) [C3]
DOI10.4028/www.scientific.net/DDF.283-286.0
2009Belova 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]
DOI10.4028/www.scientific.net/ddf.283-286.697
CitationsScopus - 2Web of Science - 2
Co-authorsIrina Belova
2009Belova 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]
DOI10.4028/www.scientific.net/ddf.283-286.13
CitationsScopus - 6Web of Science - 5
Co-authorsThomas Fiedler, Irina Belova
2009Evteev 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]
DOI10.4028/www.scientific.net/ddf.289-292.665
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2009Levchenko 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]
DOI10.4028/www.scientific.net/ddf.289-292.657
CitationsScopus - 1Web of Science - 1
Co-authorsElena Levchenko, Alexander Evteev, Irina Belova
2009Levchenko 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]
DOI10.4028/3-908454-50-6.24
CitationsScopus - 2Web of Science - 2
Co-authorsElena Levchenko, Alexander Evteev, Irina Belova
2009Levchenko 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]
DOI10.1016/j.actamat.2008.10.025
CitationsScopus - 13Web of Science - 9
Co-authorsElena Levchenko, Alexander Evteev, Irina Belova
2009Fiedler 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]
DOI10.1002/adem.200900132
CitationsScopus - 18Web of Science - 15
Co-authorsIrina Belova, Thomas Fiedler
2009Evteev 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]
DOI10.1039/b822112j
CitationsScopus - 12Web of Science - 12
Co-authorsAlexander Evteev, Elena Levchenko, Irina Belova
2008Fiedler 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]
DOI10.1002/adem.200700335
CitationsScopus - 15Web of Science - 14
Co-authorsThomas Fiedler, Irina Belova
2008Evteev 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]
DOI10.1080/14786430802213413
CitationsScopus - 8Web of Science - 8
Co-authorsElena Levchenko, Irina Belova, Alexander Evteev
2008Belova IV, Murch GE, 'Relations between tracer and chemical diffusion coefficients in interstitial and substitutional alloys', Materialovedenie, 39-46 (2008) [C1]
Co-authorsIrina Belova
2008Hossain 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]
DOI10.1016/j.jpcs.2008.01.017
CitationsScopus - 43Web of Science - 34
2008Öchsner A, Murch GE, 'Diffusion and Defect Data. Pt A Defect and Diffusion Forum: Preface', Defect and Diffusion Forum, 273-276 (2008) [C3]
2008Ochsner 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]
DOI10.4028/www.scientific.net/DDF.273-276.461
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova
2008Belova 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]
DOI10.4028/www.scientific.net/DDF.279.13
CitationsScopus - 9
Co-authorsThomas Fiedler, Irina Belova
2008Evteev 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]
DOI10.4028/www.scientific.net/DDF.277.21
CitationsScopus - 6Web of Science - 5
Co-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2008Belova 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]
DOI10.4028/www.scientific.net/DDF.273-276.425
CitationsScopus - 4Web of Science - 4
Co-authorsIrina Belova
2008Belova 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]
DOI10.4028/www.scientific.net/DDF.273-276.431
CitationsScopus - 3Web of Science - 2
Co-authorsIrina Belova
2008Belova 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]
DOI10.4028/www.scientific.net/DDF.273-276.445
Co-authorsIrina Belova
2008Evteev 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]
DOI10.4028/www.scientific.net/DDF.273-276.455
Co-authorsElena Levchenko, Irina Belova, Alexander Evteev
2008Evteev 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]
DOI10.4028/www.scientific.net/DDF.277.101
CitationsScopus - 2Web of Science - 2
Co-authorsIrina Belova, Elena Levchenko, Alexander Evteev
2008Fiedler 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]
DOI10.4028/www.scientific.net/DDF.273-276.222
CitationsScopus - 14Web of Science - 14
Co-authorsIrina Belova, Thomas Fiedler
2008Evteev 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]
DOI10.4028/www.scientific.net/DDF.277.207
CitationsScopus - 4Web of Science - 4
Co-authorsAlexander Evteev, Irina Belova, Elena Levchenko
2008Fiedler 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]
DOI10.4028/www.scientific.net/DDF.273-276.216
CitationsScopus - 11Web of Science - 9
Co-authorsThomas Fiedler, Irina Belova
2008Belova 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]
DOI10.4028/www.scientific.net/SSP.139.35
Co-authorsIrina Belova
2008Tikare V, Murch G, Soisson F, Kang JK, 'Theory, Modeling and Numerical Simulation of Multi-Physics Materials Behavior: Preface', Solid State Phenomena, 139 (2008) [C3]
2007Belova 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]
DOI10.4028/www.scientific.net/DDF.263.81
CitationsScopus - 4Web of Science - 4
Co-authorsIrina Belova
2007Belova 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]
DOI10.4028/www.scientific.net/DDF.263.1
Co-authorsIrina Belova
2007Belova IV, Murch GE, 'Monte Carlo modelling of the effective diffusivity of a composite material', Defect and Diffusion Forum, 261-262 103-108 (2007) [C1]
DOI10.4028/www.scientific.net/DDF.261-262.103
CitationsScopus - 4
Co-authorsIrina Belova
2007Evteev 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]
DOI10.4028/www.scientific.net/DDF.266.39
CitationsScopus - 4Web of Science - 4
Co-authorsIrina Belova, Elena Levchenko, Alexander Evteev
2007Belova 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]
DOI10.4028/www.scientific.net/DDF.266.29
CitationsScopus - 2Web of Science - 3
Co-authorsIrina Belova
2007Belova 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]
DOI10.4028/www.scientific.net/DDF.266.119
Co-authorsIrina Belova
2007Kozubski R, Murch GE, Zi¿ba P, 'Diffusion and Defect Data Pt. B: Solid State Phenomena - Preface', Solid State Phenomena, 129 (2007)
2007Belova IV, Murch GE, 'Expressions for vacancy-wind factors occurring in interdiffusion in ternary and higher-order alloys', Acta Materialia, 55 627-634 (2007) [C1]
DOI10.1016/j.actamat.2006.08.055
CitationsScopus - 5Web of Science - 4
Co-authorsIrina Belova
2007Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics study of carbon diffusion in cementite', Diffusion Fundamentals, 15.1-15.2 (2007) [C1]
Co-authorsElena Levchenko, Irina Belova, Alexander Evteev
2007Evteev 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-authorsElena Levchenko, Alexander Evteev, Irina Belova
2007Evteev 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-authorsElena Levchenko, Irina Belova, Alexander Evteev
2007Evteev 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-authorsElena Levchenko, Alexander Evteev, Irina Belova
2007Evteev 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-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2007Belova 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-authorsThomas Fiedler, Irina Belova
2007Belova 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]
DOI10.1080/14786430600835805
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova
2007Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Kinetic and molecular dynamics analysis of carbon diffusion in austenite', Philosophical Magazine, 87 4335-4357 (2007) [C1]
DOI10.1080/14786430701530982
CitationsScopus - 2Web of Science - 1
Co-authorsElena Levchenko, Irina Belova, Alexander Evteev
2007Evteev 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]
DOI10.1080/14786430601103005
CitationsScopus - 19Web of Science - 19
Co-authorsElena Levchenko, Irina Belova, Alexander Evteev
2007Belova IV, Allnatt AR, Murch GE, 'Interdiffusion in strongly ionic insulating compounds: The Nernst-Planck equation', Philosophical Magazine, 87 4169-4180 (2007) [C1]
DOI10.1080/14786430701531014
Co-authorsIrina Belova
2007Evteev 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]
CitationsScopus - 5Web of Science - 6
Co-authorsElena Levchenko, Alexander Evteev, Irina Belova
2007Hossain 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]
DOI10.1179/174367607X156052
CitationsScopus - 7Web of Science - 6
2007Murch 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]
DOI10.1016/j.ssi.2006.12.015
CitationsScopus - 23Web of Science - 20
2007Fielder 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]
DOI10.4028/www.scientific.net/MSF.553.51
CitationsScopus - 13Web of Science - 10
Co-authorsThomas Fiedler, Irina Belova
2006Belova 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]
DOI10.4028/www.scientific.net/DDF.249.17
Co-authorsIrina Belova
2006Belova 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]
DOI10.4028/www.scientific.net/DDF.249.27
Co-authorsIrina Belova
2006Hossain 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]
DOI10.4028/www.scientific.net/DDF.251-252.1
CitationsScopus - 4
2006Gosain 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]
DOI10.4028/www.scientific.net/DDF.251-252.59
Co-authorsIrina Belova
2006Gosain 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]
DOI10.4028/www.scientific.net/DDF.251-252.69
CitationsScopus - 1
Co-authorsIrina Belova
2006Belova IV, Murch GE, 'Phenomenological Aspects of Grain Boundary Diffusion', Defect and Diffusion Forum, 258-260 483-490 (2006) [C1]
DOI10.4028/www.scientific.net/DDF.258-260.483
CitationsScopus - 1Web of Science - 2
Co-authorsIrina Belova
2006Belova 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]
DOI10.4028/www.scientific.net/DDF.258-260.237
Co-authorsIrina Belova
2006Evteev 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]
DOI10.4028/www.scientific.net/DDF.258-260.253
Co-authorsElena Levchenko, Alexander Evteev, Irina Belova
2006Belova 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]
DOI10.4028/www.scientific.net/DDF.258-260.247
Co-authorsIrina Belova
2006Belova IV, Murch GE, 'Enhancement of solute self-diffusion in fcc alloys', Philosophical Magazine, 86 1615-1629 (2006) [C1]
DOI10.1080/14786430500437470
Co-authorsIrina Belova
2006Belova 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]
DOI10.1080/14786430600669808
Co-authorsIrina Belova
2006Allnatt 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]
DOI10.1080/14786430600835821
Co-authorsIrina Belova
2006Belova 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]
DOI10.1361/154770306X153657
CitationsScopus - 6Web of Science - 6
Co-authorsIrina Belova
2006Belova 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]
DOI10.4028/www.scientific.net/AST.46.54
Co-authorsIrina Belova
2006Belova 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]
DOI10.4028/www.scientific.net/AST.46.42
Co-authorsIrina Belova
2005Belova 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]
DOI10.1016/j.jpcs.2004.09.009
CitationsScopus - 16Web of Science - 14
Co-authorsIrina Belova
2005Sandhu 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]
DOI10.4028/www.scientific.net/DDF.247-248.1
CitationsScopus - 1
Co-authorsIrina Belova
2005Gosain 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]
DOI10.4028/www.scientific.net/DDF.247-248.9
CitationsScopus - 1
Co-authorsIrina Belova
2005Sandhu 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]
DOI10.4028/www.scientific.net/DDF.247-248.21
Co-authorsIrina Belova
2005Hossain MF, Riley DP, Murch GE, 'Ab initio calculations of the electronic structure and bonding characteristics of LaB6', Physical Review B, 72 - (2005) [C1]
DOI10.1103/PhysRevB.72.235101
CitationsScopus - 24Web of Science - 16
2005Belova 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]
DOI10.1016/j.actamat.2005.06.015
CitationsScopus - 8Web of Science - 6
Co-authorsIrina Belova
2005Belova IV, Murch GE, 'Analysis of vacancies produced at non-equilibrium concentrations by interdiffusion', Philosophical Magazine, 85 1191-1203 (2005) [C1]
DOI10.1080/14786430412331331998
CitationsScopus - 6Web of Science - 6
Co-authorsIrina Belova
2005Belova 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]
DOI10.1080/14786430500036637
Co-authorsIrina Belova
2005Belova 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]
DOI10.1080/14786430500155296
CitationsScopus - 3Web of Science - 3
Co-authorsIrina Belova
2005Belova IV, Murch GE, 'Analysis of carbon diffusion in austenite revisited', Philosophical magazine, 85 4515-4523 (2005) [C1]
DOI10.1080/14786430500300058
CitationsScopus - 8Web of Science - 8
Co-authorsIrina Belova
2005Belova 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]
DOI10.1007/s11669-005-0030-7
CitationsScopus - 10Web of Science - 11
Co-authorsIrina Belova
2005Belova 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]
DOI10.1007/s11669-005-0042-3
Co-authorsIrina Belova
2005Murch GE, Belova IV, 'Phenomenological Coefficients in Solid-State Diffusion: an Introduction', Diffusion-Fundamentals, 2 8.1-8.13 (2005) [C1]
Co-authorsIrina Belova
2004Belova IV, Murch GE, 'Relationships between chemical and tracer diffusion coefficients in strongly ionic crystals', Zeitschrift Fur Metallkunde, 95 870-875 (2004) [C1]
Co-authorsIrina Belova
2004Belova 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]
DOI10.1016/j.ssi.2003.12.013
CitationsScopus - 8Web of Science - 7
Co-authorsIrina Belova
2004Brown 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]
DOI10.1016/j.jmatprotec.2004.04.351
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova
2004Belova 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]
DOI10.1016/j.jmatprotec.2004.04.191
CitationsScopus - 17Web of Science - 15
Co-authorsIrina Belova
2004Belova IV, Murch GE, 'The Effective Diffusivity in Two-Phase Material', Defect and Diffusion Forum, 218-220 79-86 (2004) [C1]
CitationsScopus - 5Web of Science - 5
Co-authorsIrina Belova
2004Belova 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]
DOI10.4028/www.scientific.net/DDF.224-225.45
CitationsScopus - 2Web of Science - 2
Co-authorsIrina Belova
2004Belova 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]
DOI10.4028/www.scientific.net/DDF.224-225.127
CitationsScopus - 4Web of Science - 4
Co-authorsIrina Belova
2004Belova 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]
DOI10.1016/S1359-6454(02)00580-3
CitationsScopus - 7Web of Science - 8
Co-authorsIrina Belova
2004Belova IV, Murch GE, 'Analysis of the effective diffusivity in nanocrystalline materials', Journal of Metastable and Nanocrystalline Materaisl, 19 25-34 (2004) [C1]
DOI10.4028/www.scientific.net/JMNM.19.25
CitationsScopus - 12
Co-authorsIrina Belova
2004Belova 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]
DOI10.1039/b316170f
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova
2004Belova IV, Murch GE, 'Analysis of composition profiles to obtain interdiffusion coefficients in binary intermetallic compounds', Philosophical Magazine, 84 3655-3662 (2004) [C1]
DOI10.1080/14786430412331293559
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova
2004Belova IV, Murch GE, 'The effective diffusivity in polycrystalline material in the presence of interphase boundaries', Philosophical Magazine, 84 17-28 (2004) [C1]
DOI10.1080/14786430310001616054
CitationsScopus - 26Web of Science - 23
Co-authorsIrina Belova
2004Brown 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]
DOI10.1080/14786430310001646754
CitationsScopus - 3Web of Science - 3
Co-authorsIrina Belova
2004Belova IV, Murch GE, 'Analysis of interdiffusion via vacancy-pairs in strongly ionic solids', Philosophical Magazine, 84 3637-3653 (2004) [C1]
DOI10.1080/14786430412331293540
CitationsScopus - 6Web of Science - 4
Co-authorsIrina Belova
2003Belova IV, Murch GE, 'Solvent diffusion kinetics in the dilute random alloy', Philosophical Magazine, 83 393-399 (2003) [C1]
DOI10.1080/0141861021000025838
CitationsScopus - 10Web of Science - 11
Co-authorsIrina Belova
2003Belova IV, Murch GE, 'Correlated tracer diffusion in an ordered interface structure', Philosophical Magazine, 83 2399-2407 (2003) [C1]
DOI10.1080/0141861031000109582
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova
2003Belova IV, Murch GE, 'Computer simulation of solute-enhanced diffusion kinetics in dilute fcc alloys', Philosophical Magazine, 83 377-392 (2003) [C1]
DOI10.1080/0141861021000025810
CitationsScopus - 8Web of Science - 8
Co-authorsIrina Belova
2003Brown 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]
DOI10.1080/1478643031000107096
CitationsScopus - 4Web of Science - 4
Co-authorsIrina Belova
2003Belova IV, Murch GE, 'Diffusion in nanocrystalline materials', Journal of Physics and Chemistry of Solids, 64 873-878 (2003) [C1]
DOI10.1016/S0022-3697(02)00421-3
CitationsScopus - 42Web of Science - 30
Co-authorsIrina Belova
2003Murch GE, Belova IV, 'The Lattice Model for Addressing Phenomenological Diffusion Problems Associated with Grain Boundaries', Interface Science, 11 91-97 (2003) [C1]
DOI10.1023/A:1021591108276
CitationsScopus - 8Web of Science - 14
Co-authorsIrina Belova
2003Belova IV, Murch GE, 'Relations between interdiffusivities and intrinsic diffusivities in ternary and quaternary alloys', Philosophical Magazine Letters, 83 73-77 (2003) [C1]
DOI10.1080/0950083021000054904
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova
2003Belova 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)
2003Belova 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]
DOI10.4028/www.scientific.net/DDF.213-215.95
CitationsScopus - 3Web of Science - 3
Co-authorsIrina Belova
2002Belova 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]
DOI10.1016/S1359-6454(02)00312-9
CitationsScopus - 7Web of Science - 7
Co-authorsIrina Belova
2002Belova 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]
CitationsScopus - 17Web of Science - 12
Co-authorsIrina Belova
2002Belova 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]
CitationsScopus - 11Web of Science - 6
Co-authorsIrina Belova
2002Belova IV, Gentle DS, Murch GE, 'Diffusion kinetics for divacancies in the bcc lattice', Philosophical Magazine Letters, 82 37-41 (2002) [C1]
CitationsScopus - 3Web of Science - 3
Co-authorsIrina Belova
2002Belova IV, Murch GE, 'Collective and tracer diffusion kinetics in the ternary random alloy', Journal of Physics: Condensed Matter, 14 6897-6907 (2002) [C1]
DOI10.1088/0953-8984/14/28/301
CitationsScopus - 7Web of Science - 7
Co-authorsIrina Belova
2002Belova IV, Murch GE, 'Diffusion in substitutionally disordered B2 intermetallics', Journal of Physics: Condensed Matter, 14 9563-9577 (2002) [C1]
CitationsScopus - 10Web of Science - 5
Co-authorsIrina Belova
2002Belova IV, Murch GE, 'Tracer diffusion in the concentrated lattice gas with self-excitation', Defect and Diffusion Forum, 210-212 55-59 (2002) [C1]
CitationsWeb of Science - 1
Co-authorsIrina Belova
2002Belova 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]
CitationsScopus - 2Web of Science - 2
Co-authorsIrina Belova
2001Belova 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]
CitationsScopus - 28Web of Science - 22
Co-authorsIrina Belova
2001Belova 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]
CitationsScopus - 2Web of Science - 2
Co-authorsIrina Belova
2001Sharma 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]
CitationsScopus - 3Web of Science - 3
Co-authorsIrina Belova
2001Murch 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]
CitationsScopus - 6Web of Science - 8
Co-authorsIrina Belova
2001Belova 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]
DOI10.1080/01418610010008488
CitationsScopus - 15Web of Science - 16
Co-authorsIrina Belova
2001Belova IV, Murch GE, 'Diffusion in the intermetallic compound CoGa', Materials Processing Technology, 118 79-81 (2001) [C1]
Co-authorsIrina Belova
2001Murch GE, Belova IV, 'Diffusion in nickel-based intermetallic compounds taking the L12 structure', Materials Processing Technology, 118 82-87 (2001) [C1]
Co-authorsIrina Belova
2001Belova IV, Murch GE, 'Analysis of intrinsic diffusivities in multicomponent alloys', Philosophical Magazine Letters, 81 661-666 (2001) [C1]
DOI10.1080/09500830110062834
CitationsScopus - 13Web of Science - 11
Co-authorsIrina Belova
2001Belova IV, Murch GE, 'Kinetics of diffusion via divacancies in a concentrated random fcc alloy', Philosophical Magazine Letters, 81 101-108 (2001) [C1]
Co-authorsIrina Belova
2001Belova IV, Murch GE, 'Analysis of the Hart Equation in Fine-Grained Material', Defect and Diffusion Forum, 194-199 1223-1226 (2001) [C1]
CitationsScopus - 7Web of Science - 6
Co-authorsIrina Belova
2001Belova 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]
CitationsScopus - 6Web of Science - 4
Co-authorsIrina Belova
2001Murch GE, Belova IV, 'Chemical Diffusion in Ni3A1', Defect and Diffusion Forum, 194-199 541-546 (2001) [C1]
CitationsScopus - 3Web of Science - 4
Co-authorsIrina Belova
2001Murch GE, Belova IV, 'The Vacancy Wind Effect in Intermetallic Compounds', Defect and Diffusion Forum, 194-199 533-540 (2001) [C1]
CitationsScopus - 5Web of Science - 4
Co-authorsIrina Belova
2001Belova 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-authorsIrina Belova
2001Belova 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 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-authorsIrina Belova
2001Belova 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 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-authorsIrina Belova
2000Belova 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]
CitationsScopus - 5Web of Science - 5
Co-authorsIrina Belova
2000Belova IV, Murch GE, 'Collective diffusion in the binary random alloy', Philosophical Magazine A, 80 599-607 (2000) [C1]
CitationsScopus - 32Web of Science - 31
Co-authorsIrina Belova
2000Belova IV, Murch GE, 'Tracer correlation factors in the random alloy', Philosophical Magazine A, 80 1469-1479 (2000) [C1]
CitationsScopus - 25Web of Science - 26
Co-authorsIrina Belova
2000Belova IV, Murch GE, 'Diffusion correlation effects and the isotope effect in intermetallic compounds', Philosophical Magazine A, 80 2073-2081 (2000) [C1]
CitationsScopus - 4Web of Science - 4
Co-authorsIrina Belova
2000Murch GE, Belova IV, 'Tracer diffusion and the isotope effect in the binary random alloy', Philosophical Magazine A, 80 2365-2373 (2000) [C1]
CitationsScopus - 5Web of Science - 8
Co-authorsIrina Belova
2000Belova 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]
CitationsScopus - 8Web of Science - 9
Co-authorsIrina Belova
2000Murch GE, Belova IV, 'Chemical diffusion by vacancy pairs in intermetallic compounds with the B2 structure', Philosophical Magazine Letters, 80 569-575 (2000) [C1]
CitationsScopus - 3Web of Science - 2
Co-authorsIrina Belova
2000Sharma 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]
CitationsScopus - 11Web of Science - 9
Co-authorsIrina Belova
2000Murch 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]
CitationsScopus - 3Web of Science - 2
Co-authorsIrina Belova
1999Belova 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]
CitationsScopus - 16Web of Science - 15
Co-authorsIrina Belova
1999Belova IV, Murch GE, 'Tracer diffusion via bound vacancy pairs in cation mixed ionic crystals', The Philosophical Magazine, 79 2681-2690 (1999) [C1]
CitationsScopus - 4Web of Science - 6
Co-authorsIrina Belova
1999Belova 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]
CitationsScopus - 12Web of Science - 6
Co-authorsIrina Belova
1999Belova IV, Murch GE, 'Diffusion kinetics for migration by vacancy pairs in ionic crystals', The Philosophical Magazine A, 79 1509-1515 (1999) [C1]
CitationsScopus - 7Web of Science - 10
Co-authorsIrina Belova
1999Belova 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)
Author URL
CitationsScopus - 2Web of Science - 2
Co-authorsIrina Belova
1999Belova 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)
Author URL
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova
1999Murch GE, Belova IV, 'Diffusion mechanisms in intermetallic compounds', Materials Forum, 23 179-188 (1999) [C1]
Co-authorsIrina Belova
1999Belova IV, Murch GE, 'Analysis of diffusion mechanisms in Ni_3Al, Ni_3Ge, and Ni_3Ga', Defect and Diffusion Forum, 177 59-68 (1999) [C1]
CitationsScopus - 1Web of Science - 1
Co-authorsIrina Belova
1999Murch 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-authorsIrina Belova
1998Belova IV, Murch GE, 'An Interpretation of Tracer Diffusion in B-Cu-Zn', Acta Metallurgica Inc., 46 849-855 (1998) [C1]
CitationsScopus - 11Web of Science - 9
Co-authorsIrina Belova
1998Belova IV, Murch GE, 'The anti-structural bridge mechanism for diffusion in ordered alloys of the B2 type', Intermetallics, 6 115-119 (1998) [C1]
CitationsScopus - 29Web of Science - 21
Co-authorsIrina Belova
1998Belova 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]
CitationsScopus - 8Web of Science - 6
Co-authorsIrina Belova
1998Belova 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]
CitationsScopus - 14Web of Science - 11
Co-authorsIrina Belova
1998Belova 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]
CitationsScopus - 22Web of Science - 24
Co-authorsIrina Belova
1998Belova IV, Murch GE, 'Theory of diffusion kinetics in the bcc random alloy', Philosophical Magazine A, 77 1053-1065 (1998) [C1]
CitationsScopus - 2Web of Science - 2
Co-authorsIrina Belova
1997Belova 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]
CitationsScopus - 15Web of Science - 13
Co-authorsIrina Belova
1997Belova 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]
CitationsScopus - 17Web of Science - 14
Co-authorsIrina Belova
1997Belova IV, Murch GE, 'Tracer Diffusion in the A15 Alloy Structure', Journal of Physics and Chemistry of Solids, 58 1383-1390 (1997) [C1]
CitationsScopus - 10Web of Science - 8
Co-authorsIrina Belova
1997Belova IV, Murch GE, 'The Manning Relations for Atomic Diffusion in a Binary Ordered Alloy', Philosophical Magazine A, 75 1715-1723 (1997) [C1]
CitationsScopus - 19Web of Science - 20
Co-authorsIrina Belova
1997Belova 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]
CitationsScopus - 1
Co-authorsIrina Belova
1997Zhang L, Murch GE, 'Diffusion in the lattice gas .1. The Haven ratio', DEFECT AND DIFFUSION FORUM, 141 49-58 (1997)
Author URL
1997Zhang L, Murch GE, 'Diffusion in the lattice gas .2. The isotope effect', DEFECT AND DIFFUSION FORUM, 141 59-64 (1997)
Author URL
1997Belova IV, Murch GE, 'Analysis of Diffusion in Ni3Al and Ni3Ge', Defect and Diffusion Forum, 143 321-326 (1997) [C1]
CitationsScopus - 6Web of Science - 6
Co-authorsIrina Belova
1997Belova 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-authorsIrina Belova
1997Belova 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]
CitationsScopus - 2Web of Science - 3
Co-authorsIrina Belova
1996Belova 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)
Author URL
CitationsScopus - 3Web of Science - 3
Co-authorsIrina Belova
1996Murch GE, 'Recent Advances in the Theory of Chemical Diffusion in Defective Solids', Solid State Ionics, 6 295-302 (1996) [C1]
CitationsScopus - 5Web of Science - 9
1996Murch 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-authorsIrina Belova
1996Murch 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 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.

1996Murch 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 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-authorsIrina Belova
1996Murch 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]
1996Belova IV, Murch GE, 'A Theory of Diffusion in the Ordered Alloy IIl: Chemical Diffusion', Philosophical Magazine A, 73 1699-1713 (1996) [C1]
CitationsScopus - 9Web of Science - 11
Co-authorsIrina Belova
1996Belova IV, Murch GE, 'A Theory of Diffusion in the Ordered Alloy II: Percolation and Tracer Diffusion', Philosophical Magazine A, 73 1223-1235 (1996) [C1]
CitationsScopus - 11Web of Science - 12
Co-authorsIrina Belova
1996Belova IV, Murch GE, 'A Theory of Diffusion in the Ordered Alloy I: Tracer Correlation Effects', Philosophical Magazine A, 73 117-129 (1996) [C1]
CitationsScopus - 40Web of Science - 32
Co-authorsIrina Belova
1996Belova IV, Murch GE, 'The Symmetry Properties of the Collective Diffusion Correlation Factors in the Random Alloy', Philosophical Magazine A, 73 101-115 (1996) [C1]
CitationsScopus - 5Web of Science - 6
Co-authorsIrina Belova
1995Belova IV, Murch GE, 'Diffusion in a Model of an Ordered Alloy', Philosophical Magazine A, 72 871-880 (1995) [C1]
CitationsWeb of Science - 28
Co-authorsIrina Belova
1995QIN 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)
Author URL
CitationsWeb of Science - 8
1995MURCH 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)
Author URL
CitationsWeb of Science - 8
1994QIN 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)
Author URL
CitationsWeb of Science - 9
1993Belova IV, Murch GE, 'Thermal and Diffusion-Induced Stresses in Crystalline Solids', Journal of Applied Physics, 77 127-137 (1993) [C1]
CitationsScopus - 5Web of Science - 6
Co-authorsIrina Belova
1993QIN 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)
Author URL
CitationsWeb of Science - 5
1993QIN 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)
Author URL
CitationsWeb of Science - 2
1993QIN 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)
Author URL
CitationsWeb of Science - 10
1993QIN 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)
Author URL
CitationsWeb of Science - 9
1993QIN 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)
Author URL
CitationsWeb of Science - 11
1993QIN 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)
Author URL
CitationsWeb of Science - 10
1993QIN 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)
DOI10.1080/13642819308220151Author URL
CitationsWeb of Science - 8
1992Murch GE, 'Diffusion-Limited Evaporation: A Monte Carlo Approach', High Temperature Science, 20 75-85 (1992) [C1]
CitationsWeb of Science - 1
1992LIM 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)
DOI10.1016/0022-3697(92)90025-9Author URL
CitationsScopus - 3Web of Science - 3
1992LIM 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)
DOI10.1016/0022-3697(92)90026-AAuthor URL
CitationsScopus - 8Web of Science - 9
1992QIN 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)
Author URL
CitationsWeb of Science - 14
1991ZHANG 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)
DOI10.1016/0167-2738(91)90190-MAuthor URL
CitationsScopus - 6Web of Science - 6
1991MURCH GE, 'COMPUTER-SIMULATION OF ATOMIC TRANSPORT IN IONIC SOLIDS - AN OVERVIEW', RADIATION EFFECTS AND DEFECTS IN SOLIDS, 119 753-758 (1991)
DOI10.1080/10420159108220815Author URL
1990LIM 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)
DOI10.1016/0022-3697(90)90063-LAuthor URL
CitationsScopus - 2Web of Science - 2
1990ZHANG 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)
Author URL
CitationsWeb of Science - 10
1990LIDIARD 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)
Author URL
CitationsWeb of Science - 13
1990OATES 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)
DOI10.1080/13642819008208638Author URL
CitationsScopus - 8Web of Science - 8
1990LIM 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)
DOI10.1080/13642819008226984Author URL
CitationsWeb of Science - 4
1990LIM 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)
DOI10.1080/13642819008226985Author URL
CitationsWeb of Science - 9
1990CHATURVEDI 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)
DOI10.1016/0167-2738(90)90430-YAuthor URL
1990LIM 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)
DOI10.1016/0364-5916(90)90037-ZAuthor URL
CitationsScopus - 2Web of Science - 2
1989LIM 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)
DOI10.1016/0022-3697(89)90397-1Author URL
CitationsScopus - 3Web of Science - 4
1989ZHANG 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)
Author URL
CitationsWeb of Science - 7
1989ZHANG 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)
DOI10.1080/13642818908211195Author URL
CitationsScopus - 14Web of Science - 21
1989MURCH GE, DYRE JC, 'CORRELATION-EFFECTS IN IONIC-CONDUCTIVITY', CRC CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES, 15 345-365 (1989)
DOI10.1080/10408438908243739Author URL
CitationsWeb of Science - 35
1989LIM 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)
DOI10.1016/0364-5916(89)90014-XAuthor URL
CitationsWeb of Science - 4
1988ZHANG 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)
Author URL
CitationsScopus - 14Web of Science - 22
1988OATES WA, LIM SH, MURCH GE, 'DIRECT CALCULATION OF INCOHERENT PHASE-DIAGRAMS BY MONTE-CARLO SIMULATION', PHILOSOPHICAL MAGAZINE LETTERS, 57 11-16 (1988)
DOI10.1080/09500838808227791Author URL
CitationsScopus - 2Web of Science - 4
1987MURCH GE, CATLOW CRA, 'OXYGEN DIFFUSION IN UO2, THO2 AND PUO2 - A REVIEW', JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 83 1157-1169 (1987)
DOI10.1039/f29878301157Author URL
CitationsScopus - 45Web of Science - 53
1987MURCH GE, OATES WA, 'AN ELASTIC-ENERGY-RELAXATION MONTE-CARLO HYBRID SCHEME OF COMPUTER-SIMULATION FOR SOLIDS', PHILOSOPHICAL MAGAZINE LETTERS, 56 187-190 (1987)
DOI10.1080/09500838708214706Author URL
CitationsWeb of Science - 3
1987Murch GE, Oates WA, 'ELASTIC-ENERGY-RELAXATION MONTE CARLO HYBRID SCHEME OF COMPUTER SIMULATION FOR SOLIDS.', Philosophical Magazine Letters, 56 165-171 (1987)
1986MURRAY 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)
DOI10.1016/0167-2738(86)90111-6Author URL
CitationsScopus - 33Web of Science - 47
1986MURCH GE, DYRE JC, 'CORRELATION-EFFECTS IN TRACER DIFFUSION AND IONIC-CONDUCTIVITY', SOLID STATE IONICS, 20 203-207 (1986)
DOI10.1016/0167-2738(86)90215-8Author URL
CitationsScopus - 6Web of Science - 10
1986DYRE JC, MURCH GE, 'CORRELATION-EFFECTS IN TRACER DIFFUSION AND IONIC-CONDUCTIVITY .2.', SOLID STATE IONICS, 21 139-142 (1986)
DOI10.1016/0167-2738(86)90204-3Author URL
CitationsScopus - 4Web of Science - 9
1985Murch GE, 'Ionic Conductivity and Tracer Diffusion in a System Containing Random Traps', Journal of Physics and Chemistry of Solids, 46 53-59 (1985) [C1]
CitationsScopus - 10Web of Science - 14
1985Murch GE, Rothman SJ, 'Grain Boundary Diffusion at High Densities of Grain Boundaries', Diffusion and Defect Data, 42 17-28 (1985) [C1]
1985Murch 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]
1984MURCH GE, 'THE DIFFUSION EQUATION - A RANDOM-WALK METHOD OF SOLUTION', JOURNAL OF METALS, 36 79-79 (1984)
Author URL
1984SATO 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)
Author URL
1984MURCH GE, 'DIFFUSION-LIMITED-EVAPORATION - THE EFFECT OF A CONCENTRATION DEPENDENT DIFFUSION-COEFFICIENT', JOURNAL OF METALS, 36 36-36 (1984)
Author URL
1984Murch GE, 'Monte Carlo Calculation of Correlation and Vacancy-Wind Effects in Diffusion', Materials Science Forum, 1 199-209 (1984) [C1]
1984Murch GE, Rothman SJ, 'Application of the Monte Carlo Method to Solid State Diffusion: A Tutorial Approach', Nontraditional Methods in Diffusion, 281-305 (1984) [C1]
1984Murch GE, 'Some Tracer Correlation Factors in the FCC Lattice', Journal of Physics and Chemistry of Solids, 45 451-452 (1984) [C1]
CitationsScopus - 5Web of Science - 8
1984Murch GE, 'Diffusion Correlation and Isotope Effects in High Defect Content Solids', Philiosophical Magazine A, 49 21-29 (1984) [C1]
CitationsScopus - 17Web of Science - 28
1983MURCH GE, ROTHMAN SJ, 'APPLICATION OF THE MONTE-CARLO METHOD TO SOLID-STATE DIFFUSION', JOURNAL OF METALS, 35 A42-A42 (1983)
Author URL
CitationsWeb of Science - 1
1983Murch GE, 'A Computer Simulated Random Walk Analysis of Diffusion in Dislocations', Diffusion and Defect Data, 32 1-8 (1983) [C1]
1983Murch GE, 'Oxygen Diffusion in Uranium Dioxide: An Overview', Diffusion and Defect Data, 32 9-19 (1983) [C1]
1983MURCH 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)
DOI10.1080/00337578308220688Author URL
1982Murch GE, 'Chemical Diffusion in a One-Dimensional Lattice With Two Sites Inequivalent', Journal of Physics and Chemistry of Solids, 43 773-776 (1982) [C1]
CitationsWeb of Science - 1
1982Murch GE, 'Correlation Effects in Diffusion in a Two-Sublattice Structure', Journal of Physics and Chemistry of Solids,, 43 243-247 (1982) [C1]
CitationsScopus - 9Web of Science - 14
1982Murch GE, 'The Nernst-Einstein Relation in High Defect Content Solids', Philosophical Magazine A, 45 685-692 (1982) [C1]
CitationsScopus - 7Web of Science - 12
1982Murch GE, 'Computer Simulation of Tracer Diffusion in a Concentrated Alloy With Short Range Order', Philosophical Magazine A, 45 941-956 (1982) [C1]
CitationsScopus - 13Web of Science - 28
1982Murch GE, 'Computer Simulation of Tracer Diffusion in a Concentrated Alloy With Long Range Order', Philosophical Magazine A, 46 565-573 (1982) [C1]
CitationsScopus - 6Web of Science - 15
1982Murch 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]
CitationsScopus - 13Web of Science - 23
1982Murch GE, 'An Expression for the Vacancy-Wind Effect in Diffusion in a Binary Substitutional Alloy', Philosophical Magazine A, 46 151-159 (1982) [C1]
CitationsWeb of Science - 27
1982Murch 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]
CitationsScopus - 3Web of Science - 7
1982Murch 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]
CitationsScopus - 9Web of Science - 16
1982Murch 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 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.

CitationsScopus - 8
1982MURCH GE, 'DIFFUSION AND THE VACANCY-WIND EFFECT IN A CONCENTRATED BINARY ALLOY WITH ORDER', JOURNAL OF METALS, 34 3-3 (1982)
Author URL
1982Murch GE, 'The Haven Ratio in Fast Ion Conductors', Solid State Ionics, 7 177-198 (1982) [C1]
CitationsScopus - 103Web of Science - 126
1981Murch GE, 'Self-Diffusion in Nonstoichiometric Compounds', Journal of Physics and Chemistry of Solids, 42 227-231 (1981) [C1]
CitationsScopus - 3Web of Science - 4
1981Murch GE, Rothman SJ, 'Diffusion, Correlation and Percolation in a Random Alloy', Philosophical Magazine A, 43 229-238 (1981) [C1]
CitationsScopus - 22Web of Science - 41
1981Murch GE, 'A Monte Carlo Study of Diffusion in a Model of an Ordered Adsorbate', Philosophical Magazine A, 43 871-882 (1981) [C1]
CitationsScopus - 53Web of Science - 66
1981Murch 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]
CitationsScopus - 4Web of Science - 8
1980Murch GE, 'Carbon Diffusion in Hyperstoichiometric Uranium Carbide', Journal of Nuclear Materials, 58 244-245 (1980) [C1]
CitationsScopus - 3Web of Science - 6
1980MURCH GE, 'HIGH-TEMPERATURE THERMODYNAMIC PROPERTIES OF THE UC-2-]2 PHASE - COMMENT', JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 41 411-411 (1980)
DOI10.1016/0022-3697(80)90217-6Author URL
1980Murch GE, 'Comments on "high-temperature thermodynamic properties of the UC1¿2 phase"', Journal of Physics and Chemistry of Solids, 41 411-411 (1980)
DOI10.1016/0022-3697(80)90217-6
1980Murch GE, 'Comments on the High Temperature Thermodynamics of the UC1_2 Phase', Journal of Physics and Chemistry of Solids, 41 (1980) [C1]
1980Murch 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]
CitationsScopus - 16Web of Science - 19
1980Murch GE, 'Diffusion in Highly Defective Solids: the Haven Ratio in the Athermal Lattice Gas', Philosophical Magazine, 41 701-711 (1980) [C1]
CitationsScopus - 10Web of Science - 23
1980Murch GE, 'Chemical Diffusion in Highly Defective Solids', Philosophical Magazine A, 41 157-163 (1980) [C1]
CitationsWeb of Science - 26
1980MURCH GE, 'COMPUTER-SIMULATION OF BULK AND SURFACE CHEMICAL DIFFUSION OF LIGHT-ATOMS IN METALS', JOURNAL OF METALS, 32 14-14 (1980)
Author URL
1980ROTHMAN SJ, NOWICKI LJ, MURCH GE, 'SELF-DIFFUSION IN AUSTENITIC FE-CR-NI ALLOYS', JOURNAL OF PHYSICS F-METAL PHYSICS, 10 383-398 (1980)
DOI10.1088/0305-4608/10/3/009Author URL
CitationsScopus - 96Web of Science - 115
1980Murch GE, 'Computer Simulation of the Diffusion Behaviour of an Ordered Absorbate', Ordering in Two Dimensions, 323-325 (1980) [C1]
1979Murch GE, 'A Monte Carlo Demonstration of Diffusion in an Electric Field', American Journal of Physics, 47 958-960 (1979) [C1]
CitationsWeb of Science - 10
1979Murch GE, 'A Monte Carlo Calculation as an Aid in Teaching Solid State Diffusion', American Journal of Physics, 97 78-80 (1979) [C1]
CitationsWeb of Science - 13
1979Murch GE, Thorn RJ, 'A Model for the Carbon Activity in Nonstoichiometric Thorium Carbide', Journal of Nuclear Materials, 82 430-434 (1979) [C1]
CitationsScopus - 3Web of Science - 3
1979Murch GE, 'Calculation of the Correlation Factor for a Carbon Diffusion Mechanism in Hyperstoichiometric Uranium Carbide', Journal of Nuclear Materials, 57 239-242 (1979) [C1]
CitationsScopus - 10Web of Science - 18
1979Murch GE, Thorn RJ, 'Computer Simulation of the Carbon Diffusivity in Austenite', Journal of Physics and Chemistry of Solids, 40 389-391 (1979) [C1]
CitationsScopus - 8Web of Science - 7
1979Murch GE, Thorn RJ, 'Calculation of the Diffusion Correlation Factor by Monte Carlo Methods', Philosophical Magazine A, 39 673-677 (1979) [C1]
CitationsScopus - 9Web of Science - 15
1979Murch GE, Thorn RJ, 'Isothermal Transport in the Lattice Gas', Philosophical Magazine A, 40 477-484 (1979) [C1]
CitationsScopus - 16Web of Science - 29
1979Murch 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]
CitationsScopus - 8Web of Science - 10
1979Murch GE, Thorn RJ, 'Physical Correlation Effects in the Lattice Gas', Solid State Ionics, 1 333-335 (1979) [C1]
1979Murch 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]
CitationsScopus - 5Web of Science - 4
1979Murch GE, Thorn RJ, 'Computer Simulation of the Carbon Activity in Austenite', Acta Metallurgica, 27 201-204 (1979) [C1]
CitationsScopus - 21Web of Science - 25
1978MURCH GE, THORN RJ, 'COMPUTER-SIMULATION OF IONIC-CONDUCTIVITY', JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 125 C130-C130 (1978)
Author URL
1978Murch 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]
CitationsScopus - 5Web of Science - 13
1978Murch GE, Thorn RJ, 'The Co-operative Nature of Interstitial Diffusion in Metals', Journal of Nuclear Materials, 69-70 571-572 (1978) [C1]
1978Murch GE, Thorn RJ, 'The Mechanism of Oxygen Diffusion in Near Stoichiometric Uranium Dioxide', Journal of Nuclear Materials, 11 219-226 (1978) [C1]
CitationsScopus - 17Web of Science - 18
1978Murch GE, Thorn RJ, 'Drift Mobility Correlation in a Simple Cubic Lattice', Physics and Chemistry of Solids, 39 1301-1305 (1978) [C1]
CitationsScopus - 5Web of Science - 11
1978Murch GE, Thorn RJ, 'Monte Carlo Calculation of the Simultaneous Ionic Conductivity and Tracer Diffusion in b-Alumina', Philosophical Magazine, 37 85-93 (1978) [C1]
CitationsScopus - 11Web of Science - 17
1978Murch GE, Thorn RJ, 'Computer Simulation of the Correlation Factor for Impurity Diffusion', Philosophical Magazine, 38 125-130 (1978) [C1]
CitationsScopus - 2Web of Science - 13
1977Murch GE, Thorn RJ, 'Computer Simulation of the Carbon Activity and Transport in UCx', Transactions of the American Nuclear Society, 27 299-300 (1977) [C1]
1977Murch GE, Thorn RJ, 'Interstitial Solute Diffusion in Metals', Journal of Physics and Chemistry of Solids, 38 789-793 (1977) [C1]
CitationsScopus - 36Web of Science - 57
1977MURCH GE, THORN RJ, 'MONTE-CARLO STUDY OF SODIUM DIFFUSION IN BETA-ALUMINA', PHILOSOPHICAL MAGAZINE, 36 517-527 (1977)
DOI10.1080/14786437708239736Author URL
CitationsScopus - 17Web of Science - 24
1977Murch GE, Thorn RJ, 'Diffusional Aspects of Nonstoichiometry: a Model for UCx', Philosophical Magazine, 35 1441-1451 (1977) [C1]
CitationsScopus - 7Web of Science - 11
1977Murch GE, Thorn RJ, 'Computer Simulation of Sodium Diffusion in Beta"-Alumina', Philosophical Magazine, 35 493-502 (1977) [C1]
CitationsWeb of Science - 81
1977Murch GE, Thorn RJ, 'Computer Simulation of Ionic Conductivity: Application to Beta-Alumina', Philosophical Magazine, 36 529-539 (1977) [C1]
CitationsScopus - 35Web of Science - 56
1977Murch GE, 'A Monte Carlo Analysis of Sodium Diffusion in b-Alumina', Philosophical Magazine, 36 512-527 (1977) [C1]
1976Murch GE, Thorn RJ, 'Thermodynamics of Nonstoichiometry: a Model for UCx', Philosophical Magazine, 34 299-309 (1976) [C1]
CitationsScopus - 12Web of Science - 20
1976Murch GE, Thorn RJ, 'Computer Simulation of the Chemical Potential', Nuclear Metallurgy, 20 245-251 (1976) [C1]
CitationsScopus - 1
1975Murch GE, 'Comments on the Mechanism of Self-Diffusion of Carbon in Hyperstoichiometric Uranium Carbide', Journal of Nuclear Materials, 55 355-356 (1975) [C1]
CitationsScopus - 6Web of Science - 8
1975Debruin HJ, Murch GE, Bakker H, Van Der Meij LJ, 'Diffusion Correlation in Random Alloys', Thin Solid Films, 25 47-62 (1975) [C1]
CitationsScopus - 22Web of Science - 51
1975Murch GE, 'A Monte Carlo Analysis of Diffusion and Thermodynamics in UO2+x', Philiosophical Magazine, 32 1129-1140 (1975) [C1]
CitationsScopus - 12Web of Science - 27
1975Murch GE, Bradhurst DH, Debruin HJ, 'Oxygen Self-Diffusion in Nonstoichiometric Uranium Dioxide', Philosophical Magazine, 32 1141-1150 (1975) [C1]
CitationsScopus - 16Web of Science - 21
1974Murch GE, Rolls JM, Debruin HJ, 'Diffusion in Nonstoichiometric Solids: a Monte Carlo Analysis for Pyrrhotite', Philosophical Magazine, 29 337-348 (1974) [C1]
CitationsScopus - 11
1973Debruin HJ, Murch GE, 'Diffusion Correlation Effects in Nonstoichiometric Solids', The Philosophical Magazine, 27 1475-1488 (1973) [C1]
CitationsScopus - 36
Show 395 more journal articles

Review (2 outputs)

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

Conference (70 outputs)

YearCitationAltmetricsLink
2014Sulong 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 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.

DOI10.4028/www.scientific.net/AMM.597.121
Co-authorsThomas Fiedler, Irina Belova
2014Kammerer 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 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.

CitationsScopus - 1
Co-authorsIrina Belova
2013Murch G, Ochsner A, Shokuhfar A, Delgado J, 'Diffusion in Solids and Liquids VIII' (2013) [E4]
2012Ochsner 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]
2012Ochsner 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]
2011Wang 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]
DOI10.1145/2148600.2148648
Co-authorsThomas Fiedler
2011Belova 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]
DOI10.4028/www.scientific.net/DDF.309-310.9
CitationsScopus - 2Web of Science - 2
Co-authorsThomas Fiedler, Irina Belova
2011Ochsner A, Murch GE, Delgado JMPQ, 'Conference Editors', Diffusion in Solids and Liquids VI, Paris, France (2011) [E4]
2010Evteev 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-authorsAlexander Evteev, Elena Levchenko, Irina Belova
2010Levchenko 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-authorsElena Levchenko, Irina Belova, Alexander Evteev
2010Evteev 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-authorsElena Levchenko, Alexander Evteev, Irina Belova
2010Levchenko 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-authorsElena Levchenko, Alexander Evteev, Irina Belova
2010Evteev 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-authorsAlexander Evteev, Elena Levchenko, Irina Belova
2010Levchenko 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-authorsAlexander Evteev, Irina Belova, Elena Levchenko
2010Murch 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-authorsThomas Fiedler, Irina Belova
2010Fiedler 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]
DOI10.1109/ITHERM.2010.5501427
Co-authorsIrina Belova, Thomas Fiedler
2010Fiedler 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]
DOI10.4028/www.scientific.net/MSF.654-656.1476
CitationsScopus - 5Web of Science - 4
Co-authorsThomas Fiedler, Irina Belova
2010Fiedler T, Murch GE, Bernthaler T, Belova IV, 'Numerical characterization of anisotropic heat sink composites', Materials Science Forum, Cairns, Australia (2010) [E1]
DOI10.4028/www.scientific.net/MSF.654-656.1500
CitationsScopus - 3Web of Science - 3
Co-authorsThomas Fiedler, Irina Belova
2010Fiedler 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]
CitationsScopus - 3Web of Science - 2
Co-authorsThomas Fiedler, Irina Belova
2010Belova 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]
DOI10.4028/www.scientific.net/DDF.297-301.1226
CitationsScopus - 1
Co-authorsThomas Fiedler, Irina Belova
2010Belova 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]
DOI10.4028/www.scientific.net/DDF.297-301.1218
Co-authorsIrina Belova
2009Evteev 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-authorsAlexander Evteev, Irina Belova, Elena Levchenko
2009Evteev 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-authorsAlexander Evteev, Elena Levchenko, Irina Belova
2009Murch 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-authorsAlexander Evteev, Elena Levchenko, Irina Belova
2009Ochsner A, Murch GE, Shokuhfar A, 'Conference editors', Diffusion in Solids and Liquids IV, Barcelona, Spain (2009) [E4]
2008Belova 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-authorsElena Levchenko, Alexander Evteev, Irina Belova
2008Evteev 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-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2008Evteev 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-authorsIrina Belova, Elena Levchenko, Alexander Evteev
2007Evteev 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-authorsElena Levchenko, Alexander Evteev, Irina Belova
2007Evteev 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-authorsElena Levchenko, Alexander Evteev, Irina Belova
2007Evteev 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-authorsElena Levchenko, Alexander Evteev, Irina Belova
2007Evteev 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-authorsIrina Belova, Alexander Evteev, Elena Levchenko
2007Evteev 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-authorsIrina Belova, Elena Levchenko, Alexander Evteev
2007Belova 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-authorsAlexander Evteev, Irina Belova, Elena Levchenko
2007Belova 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]
CitationsScopus - 7Web of Science - 7
Co-authorsIrina Belova
2007Belova 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]
CitationsScopus - 6Web of Science - 6
Co-authorsIrina Belova
2006Evteev 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]
Author URL
Co-authorsElena Levchenko, Alexander Evteev, Irina Belova
2005Belova 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-authorsIrina Belova
2005Belova 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-authorsIrina Belova
2005Mishin Y, Belova IV, Murch GE, 'Atomistic modeling of diffusion in the TiAl compound', Diffusion in Materials - DIMAT2004, Krakow, Poland (2005) [E1]
CitationsScopus - 7Web of Science - 7
Co-authorsIrina Belova
2005Belova 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-authorsIrina Belova
2005Belova IV, Murch GE, 'Random-walk calculations in intermetallic compounds', Diffusion in Materials - DIMAT2004, Krakow, Poland (2005) [E1]
CitationsScopus - 8Web of Science - 2
Co-authorsIrina Belova
2005Belova 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-authorsIrina Belova
2005Belova IV, Murch GE, 'Computer simulation of the formation of hollow nanocrystals', Diffusion Fundamentals, Leipzig (2005) [E2]
Co-authorsIrina Belova
2005Belova IV, Murch GE, 'Carbon Interstitial diffusion in y-Fe', Diffusion Fundamentals, Leipzig (2005) [E2]
Co-authorsIrina Belova
2004Belova IV, Murch GE, 'Expressions for the effective diffusivity in materials with interphase boundaries', MRS 2004 Spring Conference, San Francisco (2004) [E1]
Co-authorsIrina Belova
2004Belova 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-authorsIrina Belova
2003Belova 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-authorsIrina Belova
2003Brown 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-authorsIrina Belova
2003Belova 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-authorsIrina Belova
2003Murch 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-authorsIrina Belova
2003Murch GE, Belova IV, 'Diffusion in Multicomponent Alloys', Mass and Charge Transport in Inorganic Materials II, Florence, Italy (2003) [E2]
Co-authorsIrina Belova
2003Belova IV, Murch GE, 'Diffusion kinetics in nonstoichiometric intermetallic compounds', Mass and Charge Transport in Inorganic Materials II, Florence, Italy (2003) [E1]
Co-authorsIrina Belova
2002Belova IV, Murch GE, 'Estimation of the phenomenological effective diffusivity in nanocrystalline materials', 2002 Spring Meeting Proceedings - MRS Proceedings Volume 731, San Francisco (2002) [E1]
CitationsScopus - 2
Co-authorsIrina Belova
2002Belova 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-authorsIrina Belova
2001Belova 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-authorsIrina Belova
2001Riley 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]
CitationsScopus - 1
Co-authorsIrina Belova
2001Belova 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-authorsIrina Belova
2001Belova IV, Murch GE, 'The Origin of the Vacancy-Wind Effect in Intermetallic Compounds', Nonstoichiometric Ceramics and Intermetallics, Italy (2001) [E3]
Co-authorsIrina Belova
2001Belova IV, Murch GE, 'A theory of diffusion in nonstoichiometric intermetallic compounds', Nonstoichiometric Ceramics and Intermetallics, Italy (2001) [E3]
Co-authorsIrina Belova
1999Belova 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-authorsIrina Belova
1999Murch 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-authorsIrina Belova
1999Belova 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-authorsIrina Belova
1999Murch 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]
CitationsScopus - 3Web of Science - 1
Co-authorsIrina Belova
1998Belova 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]
CitationsWeb of Science - 5
Co-authorsIrina Belova
1998Murch 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]
CitationsWeb of Science - 19
Co-authorsIrina Belova
1997Belova 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)
Author URL
CitationsScopus - 5Web of Science - 4
Co-authorsIrina Belova
1997Belova IV, Murch GE, 'A theory of tracer diffusion in the Ising ordered alloy', DEFECT AND DIFFUSION FORUM, NORDKIRCHEN, GERMANY (1997)
Author URL
CitationsScopus - 5Web of Science - 7
Co-authorsIrina Belova
1995Murch GE, 'Computer simulation of the thermodynamics and diffusion in nonstoichiometric materials', RADIATION EFFECTS AND DEFECTS IN SOLIDS, ECOLE NORMALE SUPIRIEURE LYON, LYON, FRANCE (1995)
DOI10.1080/10420159508227175Author URL
1990MURCH GE, ZHANG L, 'MONTE-CARLO SIMULATION OF DIFFUSION IN SOLIDS - SOME RECENT DEVELOPMENTS', DIFFUSION IN MATERIALS, AUSSOIS, FRANCE (1990)
Author URL
CitationsWeb of Science - 6
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Grants and Funding

Summary

Number of grants49
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 bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch, Professor Zi-Kui Liu
SchemeInternational Research Visiting Fellowship
RoleLead
Funding Start2014
Funding Finish2014
GNoG1400852
Type Of FundingInternal
CategoryINTE
UONY

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 bodyARC (Australian Research Council)
Project TeamProfessor Irina Belova, Professor Graeme Murch, Professor Yongho Sohn
SchemeDiscovery Projects
RoleInvestigator
Funding Start2013
Funding Finish2013
GNoG1200054
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

Structural design of third generation biomaterials$305,000

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch, Doctor Thomas Fiedler, Professor Aldo Boccaccini
SchemeDiscovery Projects
RoleLead
Funding Start2013
Funding Finish2013
GNoG1200061
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

20122 grants / $50,000

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor 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
SchemeEquipment Grant
RoleLead
Funding Start2012
Funding Finish2012
GNoG1100809
Type Of FundingInternal
CategoryINTE
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch, Doctor Elena Levchenko, Doctor Alexander Evteev
SchemeNear Miss Grant
RoleLead
Funding Start2012
Funding Finish2012
GNoG1200670
Type Of FundingInternal
CategoryINTE
UONY

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 bodyARC (Australian Research Council)
Project TeamProfessor Irina Belova, Professor Graeme Murch
SchemeDiscovery Projects
RoleInvestigator
Funding Start2010
Funding Finish2010
GNoG0189976
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

20091 grants / $60,000

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Irina Belova, Doctor Thomas Fiedler, Professor Andreas Oechsner, Professor Graeme Murch, Doctor Elena Levchenko, Doctor Alexander Evteev
SchemeNear Miss Grant
RoleInvestigator
Funding Start2009
Funding Finish2009
GNoG0189820
Type Of FundingInternal
CategoryINTE
UONY

20081 grants / $2,500

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeTravel Grant
RoleLead
Funding Start2008
Funding Finish2008
GNoG0189633
Type Of FundingInternal
CategoryINTE
UONY

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 bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeDiscovery Projects
RoleLead
Funding Start2007
Funding Finish2007
GNoG0186247
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

20061 grants / $524,282

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamLaureate 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
SchemePriority Research Centre
RoleInvestigator
Funding Start2006
Funding Finish2006
GNoG0186948
Type Of FundingInternal
CategoryINTE
UONY

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 bodyARC (Australian Research Council)
Project Team
SchemeLinkage Projects
RoleInvestigator
Funding Start2005
Funding Finish2007
GNo
Type Of FundingNot Known
CategoryUNKN
UONY

Theory for the Formation of Nanospheres$11,588

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Irina Belova, Professor Graeme Murch
SchemeProject Grant
RoleInvestigator
Funding Start2005
Funding Finish2005
GNoG0184743
Type Of FundingInternal
CategoryINTE
UONY

20043 grants / $1,007,584

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

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Irina Belova, Professor Graeme Murch
SchemeDiscovery Projects
RoleInvestigator
Funding Start2004
Funding Finish2004
GNoG0182791
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Irina Belova, Professor Graeme Murch
SchemeProject Grant
RoleInvestigator
Funding Start2004
Funding Finish2004
GNoG0183393
Type Of FundingInternal
CategoryINTE
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeTravel Grant
RoleLead
Funding Start2004
Funding Finish2004
GNoG0184469
Type Of FundingInternal
CategoryINTE
UONY

20032 grants / $15,359

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Irina Belova, Professor Graeme Murch
SchemeProject Grant
RoleInvestigator
Funding Start2003
Funding Finish2003
GNoG0182335
Type Of FundingInternal
CategoryINTE
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeTravel Grant
RoleLead
Funding Start2003
Funding Finish2003
GNoG0183176
Type Of FundingInternal
CategoryINTE
UONY

20023 grants / $652,873

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

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeDiscovery Projects
RoleLead
Funding Start2002
Funding Finish2002
GNoG0181103
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Irina Belova, Professor Graeme Murch
SchemeProject Grant
RoleInvestigator
Funding Start2002
Funding Finish2002
GNoG0181323
Type Of FundingInternal
CategoryINTE
UONY

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 bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeTravel Grant
RoleLead
Funding Start2002
Funding Finish2002
GNoG0182001
Type Of FundingInternal
CategoryINTE
UONY

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 bodyARC (Australian Research Council)
Project TeamProfessor Irina Belova, Professor Graeme Murch
SchemeLarge Grant
RoleInvestigator
Funding Start2001
Funding Finish2001
GNoG0179260
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Irina Belova, Professor Graeme Murch
SchemeProject Grant
RoleInvestigator
Funding Start2001
Funding Finish2001
GNoG0179981
Type Of FundingInternal
CategoryINTE
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeTravel Grant
RoleLead
Funding Start2001
Funding Finish2001
GNoG0181430
Type Of FundingInternal
CategoryINTE
UONY

20003 grants / $279,608

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

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeLarge Grant
RoleLead
Funding Start2000
Funding Finish2000
GNoG0178508
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch, Professor Erich Kisi
SchemeMulti-Year Project Grant Scholarship
RoleLead
Funding Start2000
Funding Finish2000
GNoG0178876
Type Of FundingInternal
CategoryINTE
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeTravel Grant
RoleLead
Funding Start2000
Funding Finish2000
GNoG0179714
Type Of FundingInternal
CategoryINTE
UONY

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 bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeLarge Grant
RoleLead
Funding Start1999
Funding Finish1999
GNoG0177793
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

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

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeLarge Grant
RoleLead
Funding Start1999
Funding Finish1999
GNoG0177794
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

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

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeSmall Grant
RoleLead
Funding Start1999
Funding Finish1999
GNoG0178101
Type Of FundingScheme excluded from IGS
CategoryEXCL
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeTravel Grant
RoleLead
Funding Start1999
Funding Finish1999
GNoG0180466
Type Of FundingInternal
CategoryINTE
UONY

19984 grants / $73,164

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch, Assoc. Prof C Sholl
SchemeSpecial Scholarship Initiative Grants
RoleLead
Funding Start1998
Funding Finish1998
GNoG0177745
Type Of FundingInternal
CategoryINTE
UONY

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

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeSmall Grant
RoleLead
Funding Start1998
Funding Finish1998
GNoG0177382
Type Of FundingScheme excluded from IGS
CategoryEXCL
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeVisitor Grant
RoleLead
Funding Start1998
Funding Finish1998
GNoG0177720
Type Of FundingInternal
CategoryINTE
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeTravel Grant
RoleLead
Funding Start1998
Funding Finish1998
GNoG0180366
Type Of FundingInternal
CategoryINTE
UONY

19973 grants / $195,056

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

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeLarge Grant
RoleLead
Funding Start1997
Funding Finish1997
GNoG0176158
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

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

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeSmall Grant
RoleLead
Funding Start1997
Funding Finish1997
GNoG0176549
Type Of FundingScheme excluded from IGS
CategoryEXCL
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeTravel Grant
RoleLead
Funding Start1997
Funding Finish1997
GNoG0179531
Type Of FundingInternal
CategoryINTE
UONY

19964 grants / $17,206

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

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeMulti-Year Small Grant Scholarship
RoleLead
Funding Start1996
Funding Finish1996
GNoG0175730
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

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

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeSmall Grant
RoleLead
Funding Start1996
Funding Finish1996
GNoG0175732
Type Of FundingScheme excluded from IGS
CategoryEXCL
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeTravel Grant
RoleLead
Funding Start1996
Funding Finish1996
GNoG0176435
Type Of FundingInternal
CategoryINTE
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeTravel Grant
RoleLead
Funding Start1996
Funding Finish1996
GNoG0176101
Type Of FundingInternal
CategoryINTE
UONY

19952 grants / $183,310

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

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeLarge Grant
RoleLead
Funding Start1995
Funding Finish1995
GNoG0174464
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

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

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeSmall Grant
RoleLead
Funding Start1995
Funding Finish1995
GNoG0174975
Type Of FundingScheme excluded from IGS
CategoryEXCL
UONY

19943 grants / $25,000

Structural Analysis and Computer Generation of Melody$20,000

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch, Professor Robert Constable
SchemeSmall Grant
RoleLead
Funding Start1994
Funding Finish1994
GNoG0174817
Type Of FundingScheme excluded from IGS
CategoryEXCL
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeTravel Grant
RoleLead
Funding Start1994
Funding Finish1994
GNoG0174518
Type Of FundingInternal
CategoryINTE
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeTravel Grant
RoleLead
Funding Start1994
Funding Finish1994
GNoG0175107
Type Of FundingInternal
CategoryINTE
UONY

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 bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeLarge Grant
RoleLead
Funding Start1992
Funding Finish1992
GNoG0173080
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

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

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Graeme Murch
SchemeSmall Grant
RoleLead
Funding Start1992
Funding Finish1992
GNoG0173591
Type Of FundingScheme excluded from IGS
CategoryEXCL
UONY

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

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamProfessor Graeme Murch
SchemeProject Grant
RoleLead
Funding Start1992
Funding Finish1992
GNoG0174186
Type Of FundingInternal
CategoryINTE
UONY
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Research Supervision

Current Supervision

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

Past Supervision

YearResearch Title / Program / Supervisor Type
2014Ti3SiC2 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
2009Modelling of Heat and Mass Transport in Composite Materials
Mechanical Engineering, Faculty of Engineering and Built Environment
Co-Supervisor
2006New Toughening Methods for Thermosets
Mechanical Engineering, Faculty of Engineering and Built Environment
Co-Supervisor
2004In-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
2003In-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

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

Office

RoomES421
BuildingEngineering Science - D.W. George
LocationCallaghan
University Drive
Callaghan, NSW 2308
Australia
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