# Professor Graeme Murch

Professor

School of Engineering (Mechanical Engineering)

- Email:graeme.murch@newcastle.edu.au
- Phone:(02) 4921 6191

## Career Summary

### Biography

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

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

**Research Expertise**

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

**Teaching Expertise**

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

**Administrative Expertise**

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

**Collaborations**

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

### Qualifications

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

### Keywords

- Materials Science
- Mechanical Engineering Computations
- Metallurgy

### Languages

- English (Fluent)

### Fields of Research

Code | Description | Percentage |
---|---|---|

020499 | Condensed Matter Physics not elsewhere classified | 20 |

030799 | Theoretical and Computational Chemistry not elsewhere classified | 40 |

### Professional Experience

#### UON Appointment

Dates | Title | Organisation / Department |
---|---|---|

1/01/2014 - | Professor | University of Newcastle School of Engineering Australia |

#### Academic appointment

Dates | Title | Organisation / Department |
---|---|---|

1/01/2014 - 31/12/2014 | Conference Chair | Tenth International Conference on Diffusion in Solids and Liquids, Paris, France France |

1/01/2013 - 31/12/2013 | Conference Chair | Ninth International Conference on Diffusion in Solids and Liquids, Madrid, Spain Spain |

1/01/2012 - 31/12/2012 | Conference Chair | Eighth International Conference on Diffusion in Solids and Liquids, Istanbul, Turkey Turkey |

1/01/2012 - | Editorial Board | International Journal of Biomaterials Research and Engineering Australia |

1/01/2012 - | Editorial Board | International Journal of Nanotechnology and Molecular Computation Australia |

1/01/2011 - 31/12/2011 | Conference Chair | Seventh International Conference on Diffusion in Solids and Liquids, Algarve, Portugal Portugal |

1/01/2011 - | Editorial Board | Archives of Metallurgy and Materials Australia |

1/01/2011 - 1/12/2011 | Fellow | Technion Society of Australia Australia |

1/01/2011 - | Editorial Board - Computation | Computation Australia |

1/01/2010 - | Editorial Board | Journal of Nano Research Australia |

1/01/2010 - 31/12/2010 | Conference Chair | Sixth International Conference on Diffusion in Solids and Liquids, Paris, France France |

1/01/2009 - 31/12/2009 | Conference Chair | Fifth International Conference on Diffusion in Solids and Liquids, Rome, Italy Italy |

1/01/2008 - 31/12/2008 | Conference Chair | Fourth International Conference on Diffusion in Solids and Liquids, Barcelona, Spain Spain |

1/01/2007 - 31/12/2007 | Conference Chair | Third International Conference on Diffusion in Solids and Liquids, Algarve, Portugal Portugal |

1/01/2005 - | Editorial Board | Diffusion Fundamentals Australia |

1/01/2000 - | Editorial Board | Transport and Diffusion in Matter Australia |

1/11/1993 - | Personal Chair in Materials ScienceMechanical Engineering and Mechatronics | University of Newcastle School of Engineering and Built Environments Australia |

1/01/1992 - | Membership | Engineers Australia |

1/01/1988 - 1/10/1993 | Associate professor | University of Newcastle School of Engineering and Built Environments Australia |

1/06/1986 - 1/12/1987 | Senior lecturer | University of Newcastle Engineering & Built Environment Australia |

1/01/1984 - | Editorial Board | Solid State Phenomena Australia |

1/01/1980 - 31/12/1990 | Editorial Board | Atomic Transport Activity of the ASM Australia |

1/05/1973 - 1/05/1975 | AINSE Fellow | Flinders University School of Physical Sciences Australia |

1/05/1973 - 1/05/1975 | Fellow | AINSE (Australian Institute of Nuclear Science & Engineering) |

#### Professional appointment

Dates | Title | Organisation / Department |
---|---|---|

1/04/1985 - 1/06/1986 | Principal Research Scientist | ICI Research Laboratories Australia |

1/05/1975 - 1/04/1985 | Staff scientist | Argonne National Laboratories, Chicago Materials Science and Technology Division United States |

### Awards

#### Distinction

Year | Award |
---|---|

2013 | Editor in ChiefTrans Tech Publications Inc. |

2011 | Frank-Theeman AwardTechnion - Israel Institute of Technology |

2009 | CitationsThomson Reuters |

1984 | Founder and Editor-in-Chief of the international journal: Materials Science ForumUnknown |

1982 | Editor of the international journal: Solid State PhenomenaUnknown |

#### Honours

Year | Award |
---|---|

2005 | Excellence in Engineering Education AwardUnknown |

#### Recognition

Year | Award |
---|---|

2011 | Defect and Diffusion ForumTrans Tech Publications Inc. |

#### Research Award

Year | Award |
---|---|

2008 | LeClaire-Manning AwardUnknown |

2007 | Einstein-Smoluchowski AwardUnknown |

1991 | Doctor of EngineeringUniversity of Newcastle |

1982 | Doctor of ScienceFlinders University |

### Invitations

#### Keynote Speaker

Year | Title / Rationale |
---|---|

1979 | 60 plenary and keynote lectures at major international conferencesOrganisation: 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)

Year | Citation | Altmetrics | Link | ||||
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2014 | Murch G, Ochsner A, Belova I, Diffusion in Advanced Materials, Trans Tech, Switzerland, 220 (2014) [A3]
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2013 | Murch G, Belova I, Ochsner A, Heat Transfer Processes in Engineering Materials, Trans Tech Publication, Zurich, 228 (2013) [A3]
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2011 | Ochsner A, Murch GE, Heat Transfer in Multi-Phase Materials, Springer, Heidelberg, 460 (2011) [A3] | ||||||

2008 | Ochsner A, Murch GE, Lemos MJSD, Cellular and Porous Materials: Thermal Properties Simulation and Prediction, Wiley-VCH, Weinham, Germany, 442 (2008) [A3]
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2003 | Belova IV, Murch GE, Defect and diffusion forum (vol 210, pg 55, 2002), TRANS TECH PUBLICATIONS LTD, 1 (2003)
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Show 15 more books |

### Chapter (11 outputs)

Year | Citation | Altmetrics | Link | ||||
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2013 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Computer Simulation of Diffusion and Reaction in Metallic Nanoparticles', New Frontiers of Nanoparticles and Nanocomposite Materials, Springer, New York 31-59 (2013) [B1]
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2011 | Fiedler T, Belova IV, Ochsner A, Murch GE, 'Lattice Monte Carlo analysis of thermal diffusion in multi-phase materials', Heat Transfer in Multi-Phase Materials, Springer, Heidelberg 275-300 (2011) [B1]
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2010 | Fiedler T, Belova IV, Ochsner A, Murch GE, 'A review on thermal Lattice Monte Carlo analysis', Current Trends in Chemical Engineering, Studium Press, New Delhi, India 105-130 (2010) [B1]
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2008 | Belova IV, Murch GE, 'Thermal properties of composite materials and porous media: Lattice-based Monte Carlo approaches', Cellular and Porous Materials: Thermal Properties Simulation and Prediction, Wiley-VCH, Weinheim, Germany 73-95 (2008) [B1]
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2001 | Murch GE, 'Diffusion Kinetics in Solids', Phase Transformations in Materials, Weinheim, New York 171-238 (2001) [B2] | ||||||

1999 | Murch GE, Bruff CM, 'Chemical diffusion in bulk inhomogeneous non-metallic compounds', Diffusion in semiconductors and nonmetallic solids, Springer-Verlag, Berlin 10:1-10:62 (1999) [B1] | ||||||

1998 | Murch GE, Bruff CM, 'Chemical diffusion in bulk inhomogeneous semiconductors', Diffusion in Semiconductors and Non-Metallic Solids, Springer-Verlag, Berlin 5.1-5.25 (1998) [B1] | ||||||

Show 8 more chapters |

### Journal article (398 outputs)

Year | Citation | Altmetrics | Link | |||||||||
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2015 | Evteev AV, Levchenko EV, Momenzadeh L, Sohn Y, Belova IV, Murch GE, 'Molecular dynamics study of phonon-mediated thermal transport in a Ni50Al50 melt: case analysis of the influence of the process on the kinetics of solidification', PHILOSOPHICAL MAGAZINE, 95 90-111 (2015)
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2015 | Taherishargh M, Sulong MA, Belova IV, Murch GE, Fiedler T, 'On the particle size effect in expanded perlite aluminium syntactic foam', Materials and Design, 66 294-303 (2015) Packed beds of expanded perlite (EP) particles with three different size ranges (1-1.4, 2-2.8, and 4-5.6. mm) have been infiltrated with molten Al to produce EP/A356 Al syntactic 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.
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2015 | Evteev AV, Levchenko EV, Momenzadeh L, Sohn Y, Belova IV, Murch GE, 'Molecular dynamics study of phonon-mediated thermal transport in a Ni 50Al 50 melt: Case analysis of the influence of the process on the kinetics of solidification', Philosophical Magazine, 95 90-111 (2015) The phonon-mediated contribution to the thermal transport properties of liquid NiAl alloy is investigated in detail over a wide temperature range. The calculations are performed 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.
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2015 | Taherishargh M, Belova IV, Murch GE, Fiedler T, 'Pumice/aluminium syntactic foam', Materials Science and Engineering A, 635 102-108 (2015) A novel filler material is introduced to produce high strength metal-matrix syntactic foam. Packed beds of pumice particles, a low-cost natural porous volcanic glass, with the 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.
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2014 | Kulkarni NS, Bruce Warmack RJ, Radhakrishnan B, Hunter JL, Sohn Y, Coffey KR, et al., 'Overview of SIMS-Based Experimental Studies of Tracer Diffusion in Solids and Application to Mg Self-Diffusion', Journal of Phase Equilibria and Diffusion, 35 762-778 (2014) [C1] Tracer diffusivities provide the most fundamental information on diffusion in materials, and are the foundation of robust diffusion databases that enable the use of the Onsager 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 627Â¿Â°C (523 and 900Â¿K).
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2014 | Fiedler T, Sulong MA, Vesenjak M, Higa Y, Belova IV, Oechsner A, Murch GE, 'Determination of the thermal conductivity of periodic APM foam models', INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, 73 826-833 (2014) [C1]
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2014 | Allnatt AR, Belova IV, Murch GE, 'Diffusion kinetics in dilute binary alloys with the h.c.p. crystal structure', Philosophical Magazine, 94 2487-2504 (2014) [C1] In this paper, an extended version of the matrix method is derived in order to address diffusion kinetics for the full anisotropic three-dimensional h.c.p. structure. It is shown 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. Â© 2014 Taylor & Francis.
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2014 | Fiedler T, Fisher M, Roether JA, Belova IV, Samtleben T, Bernthaler T, et al., 'Strengthening mechanism of PDLLA coated titania foam', Mechanics of Materials, 69 35-40 (2014) [C1] This paper addresses the numerical analysis of the mechanical properties of titania foam intended for use in tissue engineering scaffolds. Special focus is given to a PDLLA coating that has been shown to distinctly increase the mechanical strength of the scaffold. Micro-computed tomography (ÂµCT) 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. Â© 2013 Elsevier Ltd. All rights reserved.
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2014 | Taherishargh M, Belova IV, Murch GE, Fiedler T, 'On the mechanical properties of heat-treated expanded perlite-aluminium syntactic foam', MATERIALS & DESIGN, 63 375-383 (2014) [C1]
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2014 | Nowotny J, Bak T, Chu D, Fiechter S, Murch GE, Veziroglu TN, 'Sustainable practices: Solar hydrogen fuel and education program on sustainable energy systems', International Journal of Hydrogen Energy, (2014) [C1] Owing to the increasingly apparent climate change, it becomes imperative to use renewable energy in the production of fuel that is environmentally friendly. At the same time, 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. Â© 2014 Hydrogen Energy Publications, LLC.
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2014 | Sulong MA, Vesenjak M, Belova IV, Murch GE, Fiedler T, 'Compressive properties of Advanced Pore Morphology (APM) foam elements', MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 607 498-504 (2014) [C1]
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2014 | Taherishargh M, Belova IV, Murch GE, Fiedler T, 'Low-density expanded perlite-aluminium syntactic foam', Materials Science and Engineering A, 604 127-134 (2014) [C1] This paper addresses an innovative syntactic foam (SF) formed by counter-gravity infiltration of a packed bed of low-cost expanded perlite (EP) particles with molten A356 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. Â© 2014 Elsevier B.V.
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2014 | Fiedler T, Sulong MA, Mathier V, Belova IV, Younger C, Murch GE, 'Mechanical properties of aluminium foam derived from infiltration casting of salt dough', Computational Materials Science, 81 246-248 (2014) [C1] This paper addresses the mechanical properties of CorevoÂ® 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. Â© 2013 Elsevier B.V. All rights reserved.
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2014 | Fiedler T, Belova IV, Rawson A, Murch GE, 'Optimized Lattice Monte Carlo for thermal analysis of composites', Computational Materials Science, 95 207-212 (2014) [C1] This paper addresses the use of the Lattice Monte Carlo method for the thermal characterization of composite materials. An optimized approach that minimizes computational time is 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. Â© 2014 Elsevier Ltd. All rights reserved.
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2014 | Evteev AV, Momenzadeh L, Levchenko EV, Belova IV, Murch GE, 'Vibrational contribution to thermal transport in liquid cooper: Equilibrium molecular dynamics study', Computational Materials Science, 96 229-236 (2014) [C1] The vibrational contribution to the thermal transport properties of liquid Cu is investigated in detail in the temperature range 1300-1800 K. The calculations are performed in the 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 Ã 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.
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2014 | Nowotny J, Atanacio AJ, Bak T, Belova IV, Fiechter S, Ikuma Y, et al., 'Photosensitive oxide semiconductors for solar hydrogen fuel and water disinfection', International Materials Reviews, 59 449-478 (2014) [C1] Hydrogen is expected to become a commonly used energy carrier on the global scale in the near future. However, hydrogen as a fuel is environmentally friendly only when generated 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.
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2014 | Fiedler T, Belova IV, Murch GE, Poologasundarampillai G, Jones JR, Roether JA, Boccaccini AR, 'A comparative study of oxygen diffusion in tissue engineering scaffolds', Journal of Materials Science: Materials in Medicine, 25 2573-2578 (2014) [C1] Tissue engineering scaffolds are designed to support tissue self-healing within physiological environments by promoting the attachment, growth and differentiation of relevant 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 solÂ¿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.
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2014 | Sowa P, Biborski A, Kozubski R, Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Semigrand Canonical and Kinetic Monte Carlo simulations of binary B2-ordered nano-films with triple defects', Intermetallics, 55 40-48 (2014) [C1] Equilibrium atomic configurations and the kinetics of "order- order" and surface segregation processes in B2-ordering stoichiometric A-50 at.%B binary thin films are investigated 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. Â© 2014 Elsevier Ltd. All rights reserved.
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2014 | Ãchsner A, Murch GE, Shokuhfar A, Delgado JMPQ, 'Preface', Defect and Diffusion Forum, 353 (2014) [C3] | |||||||||||

2014 | Allnatt AR, Belova IV, Murch GE, 'Diffusion kinetics in dilute binary alloys with the h.c.p. crystal structure', PHILOSOPHICAL MAGAZINE, 94 2487-2504 (2014) [C1]
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2014 | Evteev AV, Momenzadeh L, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics prediction of phonon-mediated thermal conductivity of f.c.c. Cu', Philosophical Magazine, 94 731-751 (2014) [C1] The phonon-mediated thermal conductivity of f.c.c. Cu is investigated in detail in the temperature range 40-1300 K. The calculations are performed in the framework of equilibrium 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. Â© 2013 Â© 2013 Taylor & Francis.
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2014 | Evteev AV, Levchenko EV, Belova IV, Kozubski R, Liu Z-K, Murch GE, 'Thermotransport in binary system: Case study on Ni50Al50 melt', Philosophical Magazine, 94 3574-3602 (2014) [C1] The formalism of thermotransport in a binary system is analysed. Focus is put on a detailed consideration of the heat of transport parameter characterizing diffusion driven by a 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.
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2014 | Belova IV, Kulkarni NS, Sohn YH, Murch GE, 'Simultaneous tracer diffusion and interdiffusion in a sandwich-type configuration to provide the composition dependence of the tracer diffusion coefficients', Philosophical Magazine, 94 3560-3573 (2014) [C1] In this paper, a new formalism of a combined tracer and interdiffusion experiment for a binary interdiffusion couple is developed. The analysis requires an interdiffusion couple 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.
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2014 | Evteev AV, Momenzadeh L, Levchenko EV, Belova IV, Murch GE, 'Decomposition model for phonon thermal conductivity of a monatomic lattice', Philosophical Magazine, 94 3992-4014 (2014) [C1] An analytical treatment of decomposition of the phonon thermal conductivity of a crystal with a monatomic unit cell is developed on the basis of a two-stage decay of the heat 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.
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2014 | Evteev AV, Levchenko EV, Momenzadeh L, Sohn Y, Belova IV, Murch GE, 'Molecular dynamics study of phonon-mediated thermal transport in a Ni50Al50 melt: case analysis of the influence of the process on the kinetics of solidification', Philosophical Magazine, (2014) The phonon-mediated contribution to the thermal transport properties of liquid NiAl alloy is investigated in detail over a wide temperature range. The calculations are performed in the framework of equilibrium molecular dynamics making use of the GreenÂ¿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 2000Â¿K and less than 1% at 3000 and 4000Â¿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.
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2014 | Kulkarni NS, Bruce Warmack RJ, Radhakrishnan B, Hunter JL, Sohn Y, Coffey KR, et al., 'Overview of SIMS-Based Experimental Studies of Tracer Diffusion in Solids and Application to Mg Self-Diffusion', Journal of Phase Equilibria and Diffusion, (2014) Tracer diffusivities provide the most fundamental information on diffusion in materials, and are the foundation of robust diffusion databases that enable the use of the Onsager 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 Â°C (523 and 900 K).
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2014 | Ãchsner A, Belova IV, Murch GE, 'Preface', Journal of Nano Research, 26 (2014) [C3]
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2014 | Murch GE, Nowotny J, Atanacio AJ, Bak T, Fiechler S, Ikuma Y, et al., 'Photosensitive oxide semiconductors: materials for solar hydrogen fuel', International Materials Reviews, 59 449-478 (2014) [C1]
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2014 | Murch GE, Evteev AV, Levchenko EV, Belova IV, Liu Z-K, Kozubski R, 'Theoretical study of the heat of transport in a liquid Ni50Al50 alloy: Green-Kubo approach', Diffusion Foundations, 2 159-189 (2014) [C1]
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2013 | Fiedler T, Richards HS, Belova IV, Oechsner A, Murch GE, 'Experimental analysis on the thermal anisotropy of syntactic hollow sphere structures', EXPERIMENTAL THERMAL AND FLUID SCIENCE, 44 637-641 (2013) [C1]
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2013 | Veyhl C, Fiedler T, Jehring U, Andersen O, Bernthaler T, Belova IV, Murch GE, 'On the mechanical properties of sintered metallic fibre structures', MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 562 83-88 (2013) [C1]
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2013 | Fiedler T, Veyhl C, Belova IV, Bernthaler T, Heine B, Murch GE, 'Mechanical properties and micro-deformation of sintered metallic hollow sphere structure', COMPUTATIONAL MATERIALS SCIENCE, 74 143-147 (2013) [C1]
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2013 | Levchenko EV, Evteev AV, Lorscheider T, Belova IV, Murch GE, 'Molecular dynamics simulation of alloying in an Al-coated Ti nanoparticle', Computational Materials Science, 79 316-325 (2013) [C1]
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2013 | Levchenko EV, Evteev AV, Yavari AR, Louzguine-Luzgin DV, Belova IV, Murch GE, 'A structural model for surface-enhanced stabilization in some metallic glass formers', PHILOSOPHICAL MAGAZINE LETTERS, 93 50-57 (2013) [C1]
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2013 | Ochsner A, Belova I, Murch G, 'Preface: Defect and Diffusion Forum V.336', Defect and Diffusion Forum, 336 1-1 (2013) [C3]
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2013 | Ãchsner A, Murch GE, Shokuhfar A, Delgado JMPQ, 'Preface', Defect and Diffusion Forum, 334-335 (2013) | |||||||||||

2013 | Ochsner A, Belova I, Murch G, 'Preface: Defect and Diffusion Forum v. 333', Defect and Diffusion Forum, 333 (2013) [C3]
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2013 | Momenzadeh L, Evteev AV, Levchenko EV, Belova IV, Murch GE, Sohn Y, 'Phonon thermal conductivity of f.c.c. Cu by molecular dynamics simulation', Defect and Diffusion Forum, 336 169-184 (2013) [C1]
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2013 | Belova IV, Murch GE, 'Interdiffusion in Intermetallics', METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 44A 4417-4421 (2013) [C3]
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2013 | Fiedler T, Loosemore J, Belova IV, Murch GE, 'A comparative study of heat sink composites for temperature stabilisation', APPLIED THERMAL ENGINEERING, 58 314-320 (2013) [C1]
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2013 | Belova IV, Kulkarni NS, Sohn YH, Murch GE, 'Simultaneous measurement of tracer and interdiffusion coefficients: an isotopic phenomenological diffusion formalism for the binary alloy', PHILOSOPHICAL MAGAZINE, 93 3515-3526 (2013) [C1]
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2013 | Sowa P, Kozubski R, Biborski A, Levchenko EV, Evteev AV, Belova IV, et al., 'Self-diffusion and order-order kinetics in B2-ordering AB binary systems with a tendency for triple-defect formation: Monte Carlo simulation', Philosophical Magazine, 93 1987-1998 (2013) [C1] Self-diffusion of component atoms and order-order relaxations in a B2-ordering binary system AB showing a tendency for triple-defect formation were consistently simulated by means 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. Â© 2013 Taylor & Francis Group, LLC.
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2013 | Oechsner A, Belova IV, Murch GE, 'Preface: Journal of Nano Research v. 21', JOURNAL OF NANO RESEARCH, 21 (2013) [C3]
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2013 | Balucan RD, Dlugogorski BZ, Kennedy EM, Belova IV, Murch GE, 'Energy cost of heat activating serpentinites for CO2 storage by mineralisation', INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL, 17 225-239 (2013) [C1]
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2012 | Fiedler T, Belova IV, Murch GE, 'Critical analysis of the experimental determination of the thermal resistance of metal foams', International Journal of Heat and Mass Transfer, 55 4415-4420 (2012) [C1]
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2012 | Veyhl C, Fiedler T, Andersen O, Meinert J, Bernthaler T, Belova IV, Murch GE, 'On the thermal conductivity of sintered metallic fibre structures', International Journal of Heat and Mass Transfer, 55 2440-2448 (2012) [C1]
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2012 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics simulation of surface segregation, diffusion and reaction phenomena in equiatomic Ni-Al systems', Physics of Metals and Metallography, 113 1202-1243 (2012) [C1]
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2012 | Fiedler T, Belova IV, Murch GE, Roether JA, Boccaccini AR, 'Tailoring elastic properties of PLGA/TiO2 biomaterials', Computational Materials Science, 61 283-286 (2012) [C1]
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2012 | Hossain MF, Evteev AV, Belova IV, Nowotny J, Murch GE, 'First-principles calculations of a corrugated anatase TiO2 surface', Computational Materials Science, 51 78-82 (2012) [C1]
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2012 | Levchenko EV, Evteev AV, Loewisch G, Belova IV, Murch GE, 'Molecular dynamics simulation of alloying in a Ti-coated Al nanoparticle', Intermetallics, 22 193-202 (2012) [C1]
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2012 | Mehrer H, Schaefer H-E, Belova IV, Murch GE, 'Molybdenum disilicide: Diffusion, defects, diffusion correlation, and creep', Defect and Diffusion Forum, 322 107-128 (2012) [C1]
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2012 | Ochsner A, Murch GE, 'Recent advances in mass transport in materials: Special topic volume with invited peer review papers only', Defect and Diffusion Forum, 322 v (2012) [C6] | |||||||||||

2012 | Fiedler T, Belova IV, Murch GE, 'u-CT-based finite element analysis on imperfections in open-celled metal foam: Mechanical properties', Scripta Materialia, 67 455-458 (2012) [C1]
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2012 | Fiedler T, Veyhl C, Belova IV, Tane M, Nakajima H, Bernthaler T, et al., 'On the anisotropy of lotus-type porous copper', Advanced Engineering Materials, 14 144-152 (2012) [C1]
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2012 | Belova IV, Fiedler T, Kulkarni N, Murch GE, 'The Harrison diffusion kinetics regimes in solute grain boundary diffusion', Philosophical Magazine, 92 1748-1763 (2012) [C1]
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2012 | Levchenko EV, Evteev AV, Hossain MF, Belova IV, Murch GE, 'Structural stability and energy of a Pd2Ni Nanofilm: Ab initio calculations', Journal of Nanoscience and Nanotechnology, 12 8205-8210 (2012) [C1]
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2012 | Ochsner A, Belova IV, Murch GE, 'Selected peer-reviewed articles on carbon and oxide based nanostructured materials', Journal of Nanoscience and Nanotechnology, 12 8098-8099 (2012) [C6]
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2012 | Hossain MF, Evteev AV, Belova IV, Nowotny J, Murch GE, 'Structural, electronic and optical properties of titania nanotubes', Advances in Applied Ceramics, 111 72-93 (2012) [C1]
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2012 | Fiedler T, Belova IV, Ochsner A, Murch GE, 'A lattice Monte Carlo analysis on chemical reaction with moving boundary', Computational Thermal Sciences, 4 131-135 (2012) [C1]
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2012 | Veyhl C, Fiedler T, Herzig T, Ochsner A, Bernthaler T, Belova IV, Murch GE, 'Thermal conductivity computations of sintered hollow sphere structures', Metals, 2 113-121 (2012) [C1]
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2012 | Ochsner A, Murch GE, 'Recent advances in mass transport in materials: Special topic volume with invited peer review papers only', Defect and Diffusion Forum, 322 v (2012) [C6] | |||||||||||

2011 | Belova IV, Mehrer H, Murch GE, 'Diffusion correlation effects of molybdenum and silicon in molybdenum disilicide', Philosophical Magazine, 91 3727-3743 (2011) [C1]
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2011 | Ochsner A, Belova IV, Murch GE, 'Editors', Journal of Nano Research, 13 (2011) [C6]
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2011 | Veyhl C, Belova IV, Murch GE, Fiedler T, 'Finite element analysis of the mechanical properties of cellular aluminium based on micro-computed tomography', Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing, 528 4550-4555 (2011) [C1]
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2011 | Hossain MF, Dlugogorski BZ, Kennedy EM, Belova IV, Murch GE, 'First-principles study of the electronic, optical and bonding properties in dolomite', Computational Materials Science, 50 1037-1042 (2011) [C1]
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2011 | Fiedler T, Belova IV, Murch GE, 'Numerical simulation of Knudsen diffusion in metallic foam', Computational Materials Science, 50 1795-1799 (2011) [C1]
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2011 | Fiedler T, Belova IV, Broxtermann S, Murch GE, 'A thermal analysis on self-propagating high temperature synthesis in joining technology', Computational Materials Science, 53 251-257 (2011) [C1]
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2011 | Fiedler T, Belova IV, Murch GE, 'A comparative study of Knudsen diffusion in cellular metals', Computational Materials Science, 50 2666-2670 (2011) [C1]
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2011 | Hossain MF, Dlugogorski BZ, Kennedy EM, Belova IV, Murch GE, 'Ab-initio electronic structure, optical, dielectric and bonding properties of lizardite-1T', Computational Materials Science, 50 1725-1730 (2011) [C1]
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2011 | Veyhl C, Belova IV, Murch GE, Ochsner A, Fiedler T, 'Thermal analysis of aluminium foam based on microcomputed tomography', Materialwissenschaft und Werkstofftechnik, 42 350-355 (2011) [C1]
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2011 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics simulation of diffusion in a (110) B2-NiAl film', Intermetallics, 19 848-854 (2011) [C1]
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2011 | Evteev AV, Levchenko EV, Hagel FA, Belova IV, Murch GE, 'Molecular dynamics study of reaction pathways in an Al-coated Ni nanoparticle', Intermetallics, 19 934-941 (2011) [C1]
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2011 | Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Molecular dynamics determination of the time-temperature-transformation diagram for crystallization of an undercooled liquid Ni50A150 alloy', Acta Materialia, 59 6412-6419 (2011) [C1]
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2011 | Belova IV, Veyhl C, Fiedler T, Murch GE, 'Analysis of anisotropic behaviour of thermal conductivity in cellular metals', Scripta Materialia, 65 436-439 (2011) [C1]
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2011 | Levchenko EV, Evteev AV, Kozubski R, Belova IV, Murch GE, 'Molecular dynamics simulation of surface segregation in a (110) B2-NiAl thin film', Physical Chemistry Chemical Physics, 13 1214-1221 (2011) [C1]
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2010 | Fiedler T, Belova IV, Murch GE, 'Lattice Monte Carlo analyses of thermal diffusion in laminar flow', Proceedings of the World Academy of Science, Engineering and Technology, 63 306-310 (2010) [C1]
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2010 | Hossain MF, Dlugogorski BZ, Kennedy EM, Belova IV, Murch GE, 'Electronic, optical and bonding properties of MgCO3', Solid State Communications, 150 848-851 (2010) [C1]
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2010 | Veyhl C, Belova IV, Murch GE, Ochsner A, Fiedler T, 'On the mesh dependence of non-linear mechanical finite element analysis', Finite Elements in Analysis and Design, 46 371-378 (2010) [C1]
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2010 | Levchenko EV, Evteev AV, Riley DP, Belova IV, Murch GE, 'Molecular dynamics simulation of the alloying reaction in Al-coated Ni nanoparticle', Computational Materials Science, 47 712-720 (2010) [C1]
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2010 | Fiedler T, Belova IV, Murch GE, 'A Lattice Monte Carlo analysis on coupled reaction and mass diffusion', Computational Materials Science, 47 826-831 (2010) [C1]
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2010 | Levchenko EV, Evteev AV, Beck DR, Belova IV, Murch GE, 'Molecular dynamics simulation of the thermophysical properties of an undercooled liquid Ni50Al50 alloy', Computational Materials Science, 50 465-473 (2010) [C1]
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2010 | Fiedler T, Belova IV, Murch GE, 'Theoretical and lattice Monte Carlo analyses on thermal conduction in cellular metals', Computational Materials Science, 50 503-509 (2010) [C1]
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2010 | Murch GE, Hossain MF, Evteev AV, Belova IV, Nowotny J, 'Electronic and optical properties of anatase TiO2 nanotubes', Computational Materials Science, 48 854-858 (2010) [C1]
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2010 | Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Molecular dynamics study of density, surface energy and self-diffusion in a liquid Ni50Al50 alloy', Computational Materials Science, 50 331-337 (2010) [C1]
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2010 | Fiedler T, Kim H-S, Belova IV, Sloan SW, Murch GE, Ochsner A, 'Elastic finite element analysis on cross-sections of random hollow sphere structures', Materialwissenschaft und Werkstofftechnik, 41 250-256 (2010) [C1]
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2010 | Farnsworth J, Murch GE, Belova IV, Ochsner A, Fiedler T, 'A lattice monte carlo analysis on thermal diffusion in syntactic hollow-sphere structures', Materialwissenschaft und Werkstofftechnik, 41 283-286 (2010) [C1]
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2009 | Belova IV, Murch GE, 'Analysis of kinetics regimes in grain boundary self-diffusion', Philosophical Magazine, 89 665-675 (2009) [C1]
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2009 | Belova IV, Murch GE, Oechsner A, 'Preface', JOURNAL OF NANO RESEARCH, 7 III-III (2009) [C3]
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2009 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Formation of a hollow binary alloy nanosphere: A kinetic Monte Carlo study', Journal of Nano Research, 7 11-17 (2009) [C1]
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2009 | Belova IV, Evteev AV, Levchenko EV, Murch GE, 'The synthesis, stability and shrinkage of hollow nanoparticles: An overview', Journal of Nano Research, 7 19-26 (2009) [C1]
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2009 | Murch GE, Evteev AV, Levchenko EV, Belova IV, 'Recent progress in the simulation of diffusion associated with hollow and bi-metallic nanoparticles', Diffusion Fundamentals, 11 1-22 (2009) [C1]
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2009 | Belova IV, Shaw D, Murch GE, 'Limits of the ratios of tracer diffusivities for diffusion by vacancy pairs: Application to compound semiconductors', Journal of Applied Physics, 106 113707 (2009) [C1]
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2009 | Hossain MF, Murch GE, Belova IV, Turner BD, 'Electronic, optical and bonding properties of CaCO3 calcite', Solid State Communications, 149 1201-1203 (2009) [C1]
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2009 | Fiedler T, Loffler R, Bernthaler T, Winkler R, Belova IV, Murch GE, Ochsner A, 'Numerical analyses of the thermal conductivity of random hollow sphere structures', Materials Letters, 63 1125-1127 (2009) [C1]
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2009 | Fiedler T, Belova IV, Ochsner A, Murch GE, 'Non-linear calculations of transient thermal conduction in composite materials', Computational Materials Science, 45 434-438 (2009) [C1]
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2009 | Fiedler T, Hosseini SMH, Belova IV, Murch GE, Ochsner A, 'A refined finite element analysis on the thermal conductivity of perforated hollow sphere structures', Computational Materials Science, 47 314-319 (2009) [C1]
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2009 | Fiedler T, Solorzano E, Garcia-Moreno F, Ochsner A, Belova IV, Murch GE, 'Computed tomography based finite element analysis of the thermal properties of cellular aluminium', Materialwissenschaft und Werkstofftechnik, 40 139-143 (2009) [C1]
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2009 | Evteev AV, Levchenko EV, Riley DP, Belova IV, Murch GE, 'Reaction of a Ni-coated Al nanoparticle to form B2-NiAl: A molecular dynamics study', Philosophical Magazine Letters, 89 815-830 (2009) [C1]
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2009 | Belova IV, Murch GE, 'Investigation of Harrison type-A, B and intermediate AB kinetics regimes in grain boundary diffusion', Diffusion and Defect Data: Pt A. Defect and Diffusion Forum, 283-286 697-704 (2009) [C1]
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2009 | Belova IV, Murch GE, Fiedler T, Ochsner A, 'Lattice-based walks and the Monte Carlo method for addressing mass, thermal and elasticity problems', Diffusion and Defect Data: Pt A. Defect and Diffusion Forum, 283-286 13-23 (2009) [C1]
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2009 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Composition effect on shrinkage of hollow binary alloy nanospheres', Diffusion and Defect Data: Pt A. Defect and Diffusion Forum, 289-292 665-672 (2009) [C1]
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2009 | Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Surface-sandwich segregation phenomena in bimetallic Ag-Ni and Pd-Ni nanoparticles: A molecular dynamics study', Diffusion and Defect Data: Pt A. Defect and Diffusion Forum, 289-292 657-664 (2009) [C1]
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2009 | Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Carbon diffusion in cementite: A molecular dynamics study', Diffusion and Defect Data: Pt A. Defect and Diffusion Forum, 283-286 24-29 (2009) [C1]
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2009 | Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Molecular dynamics simulation and theoretical analysis of carbon diffusion in cementite', Acta Materialia, 57 846-853 (2009) [C1]
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2009 | Fiedler T, Solorzano E, Garcia-Moreno F, Ochsner A, Belova IV, Murch GE, 'Lattice Monte Carlo and experimental analyses of the thermal conductivity of random-shaped cellular aluminum', Advanced Engineering Materials, 11 843-847 (2009) [C1]
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2009 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Interdiffusion and surface-sandwich ordering in initial Ni-core-Pd-shell nanoparticle', Physical Chemistry Chemical Physics, 11 3233-3240 (2009) [C1]
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2008 | Fiedler T, Ochsner A, Belova IV, Murch GE, 'Recent advances in the prediction of the thermal properties of syntactic metallic hollow sphere structures', Advanced Engineering Materials, 10 361-365 (2008) [C1]
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2008 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Shrinking kinetics by vacancy diffusion of hollow binary alloy nanospheres driven by the Gibbs-Thomson effect', Philosophical Magazine, 88 1525-1541 (2008) [C1]
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2008 | Belova IV, Murch GE, 'Relations between tracer and chemical diffusion coefficients in interstitial and substitutional alloys', Materialovedenie, 39-46 (2008) [C1]
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2008 | Hossain MF, Sheppard L, Nowotny J, Murch GE, 'Optical properties of anatase and rutile titanium dioxide: Ab initio calculations for pure and anion-doped material', Journal of Physics and Chemistry of Solids, 69 1820-1828 (2008) [C1]
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2008 | Ochsner A, Belova IV, Murch GE, 'Finite element modelling of oxygen diffusion and segregation at interfaces in Ag-MgO composites: Parametric studies', Diffusion and Defect Data. Pt A Defect and Diffusion Forum, 273-276 461-466 (2008) [C1]
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2008 | Belova IV, Murch GE, Fiedler T, Ochsner A, 'The lattice Monte Carlo method for solving phenomenological mass and thermal diffusion problems', Diffusion and Defect Data. Pt A Defect and Diffusion Forum, 279 13-22 (2008) [C1]
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2008 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Theoretical analysis and atomistic modelling of diffusion and stability of pure element hollow nanospheres and nanotubes', Diffusion and Defect Data. Pt A Defect and Diffusion Forum, 277 21-26 (2008) [C1]
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2008 | Belova IV, Murch GE, 'Exploration of the transition from harrison type-A kinetics to type-B kinetics regimes in grain boundary diffusion', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 273-276 425-430 (2008) [C1]
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2008 | Belova IV, Murch GE, 'Visualization of the vacancy-wind effect occurring in chemical diffusion and ionic conductivity in solids', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 273-276 431-444 (2008) [C1]
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2008 | Belova IV, Murch GE, Samuelis D, Martin M, 'Diffusion kinetics analysis of cation diffusion in YSZ and LSGM', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 273-276 445-454 (2008) [C1]
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2008 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Theoretical studies of diffusion kinetics in austenite', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 273-276 455-460 (2008) [C1]
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2008 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Atomic mechanism of carbon diffusion in cementite', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 277 101-106 (2008) [C1]
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2008 | Fiedler T, Ochsner A, Belova IV, Murch GE, 'Thermal conductivity enhancement of compact heat sinks using cellular metals', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 273-276 222-226 (2008) [C1]
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2008 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Modelling of the formation of Pd-Ni alloy nanoparticles by interdiffusion', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 277 207-212 (2008) [C1]
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2008 | Fiedler T, Ochsner A, Belova IV, Murch GE, 'Calculations of the effective thermal conductivity in a model of syntactic metallic hollow sphere structures using a lattice Monte Carlo method', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 273-276 216-221 (2008) [C1]
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2008 | Belova IV, Murch GE, 'In-diffusion and out-diffusion of oxygen from a composite containing random traps', Diffusion and Defect Data Pt.B: Solid State Phenomena, 139 35-40 (2008) [C1]
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2007 | Belova IV, Murch GE, Samuelis D, Martin M, 'Collective and tracer diffusion via a defect cluster in LSGM', Defect and Diffusion Forum, 263 81-86 (2007) [C1]
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2007 | Belova IV, Murch GE, 'Interdiffusion data in multicomponent alloys as a source of quantitative fundamental diffusion information', Defect and Diffusion Forum, 263 1-10 (2007) [C1]
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2007 | Belova IV, Murch GE, 'Monte Carlo modelling of the effective diffusivity of a composite material', Defect and Diffusion Forum, 261-262 103-108 (2007) [C1]
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2007 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Stability and shrinkage by diffusion of hollow nanotubes', Diffusion and Defect Data. Pt A Defect and Diffusion Forum, 266 39-47 (2007) [C1]
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2007 | Belova IV, Ochsner A, Muthubandara NU, Murch GE, 'Modelling of oxygen diffusion and segregation at interfaces in Ag-MgO composites', Diffusion and Defect Data. Pt A Defect and Diffusion Forum, 266 29-38 (2007) [C1]
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2007 | Belova IV, Murch GE, 'Non-random interaction of vacancies with atoms during interdiffusion and ionic conductivity in materials', Diffusion and Defect Data. Pt A Defect and Diffusion Forum, 266 119-130 (2007) [C1]
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2007 | Kozubski R, Murch GE, ZiÂ¿ba P, 'Diffusion and Defect Data Pt. B: Solid State Phenomena - Preface', Solid State Phenomena, 129 (2007) | |||||||||||

2007 | Belova IV, Murch GE, 'Expressions for vacancy-wind factors occurring in interdiffusion in ternary and higher-order alloys', Acta Materialia, 55 627-634 (2007) [C1]
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2007 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics study of carbon diffusion in cementite', Diffusion Fundamentals, 15.1-15.2 (2007) [C1]
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2007 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics study of diffusion in palladium hollow nanosphere and nanotubes', Diffusion Fundamentals, 19.1-19.2 (2007) [C1]
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2007 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Formation of a surface-sandwich structure in Pd-Ni nanoparticles by interdiffusion: Atomistic modelling', Diffusion Fundamentals, 18.1-18.2 (2007) [C1]
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2007 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Analytical and kinetic Monte-Carlo study shrinkage by vacancy diffusion of hollow nanospheres and nanotubes', Diffusion Fundamentals, 17.1-17.2 (2007) [C1]
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2007 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Carbon diffusion in austenite: Computer simulation and theoretical analysis', Diffusion Fundamentals, 16.1-16.2 (2007) [C1]
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2007 | Belova IV, Murch GE, Fiedler T, Oechsner A, 'The Lattice Monte Carlo Method for Solving Phenomenological Mass and Heat Transport Problems', Diffusion Fundamentals, 4 15.1-15.23 (2007) [C1]
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2007 | Belova IV, Samijelis D, Martin M, Murch GE, 'Analysis of the demixing of yttria-stabilized zirconia in an electric field for different diffusion mechanisms', Philosophical Magazine, 87 1447-1463 (2007) [C1]
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2007 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Kinetic and molecular dynamics analysis of carbon diffusion in austenite', Philosophical Magazine, 87 4335-4357 (2007) [C1]
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2007 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Shrinking kinetics by vacancy diffusion of a pure element hollow nanosphere', Philosophical Magazine, 87 3787-3796 (2007) [C1]
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2007 | Belova IV, Allnatt AR, Murch GE, 'Interdiffusion in strongly ionic insulating compounds: The Nernst-Planck equation', Philosophical Magazine, 87 4169-4180 (2007) [C1]
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2007 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Stability of hollow nanospheres: A molecular dynamics study', Solid State Phenomena: Proceedings of the Symposium: Multiscale Kinetic Modelling of Materials, 125-130 (2007) [C1]
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2007 | Hossain MF, Murch GE, Sheppard L, Nowotny J, 'Reactivity of ideal and defected rutile TiO2 (110) surface with oxygen', Advances in Applied Ceramics, 106 95-100 (2007) [C1]
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2007 | Murch GE, Hossain MF, Sheppard L, Nowotny J, 'Ab initio electronic structure calculation of oxygen vacancies in rutile titanium dioxide', Solid State Ionics, 178 319-325 (2007) [C1]
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2007 | Fielder T, Ochsner A, Muthubandara NU, Belova IV, Murch GE, 'Calculation of the Effective Thermal Conductivity in Composites using Finite Element and Monte Carlo Methods', Materials Science Forum, 553 51-56 (2007) [C1]
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2006 | Belova IV, Murch GE, 'Sum-rule relations among phenomenological coefficients: Application to segregation and chemical diffusion in multicomponent alloys and mixed ceramic oxides', Defect and Diffusion Forum, 249 (Diffusion in Solids - Past, Present and Future) 17-26 (2006) [C1]
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2006 | Belova IV, Brown MJ, Murch GE, 'Calculation of phenomenological coefficients by Monte Carlo computer simulation methods', Defect and Diffusion Forum, 249 (Diffusion in Solids - Past, Present and Future) 27-34 (2006) [C1]
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2006 | Hossain MF, Murch GE, Sheppard L, Nowotny J, 'The effect of defect disorder on the electronic structure of rutile TiO2-x', Defect and Diffusion Forum, 251-252 (Diffusion and Defect Data. Pt A) 1-12 (2006) [C1]
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2006 | Gosain KL, Chaturvedi DK, Belova IV, Murch GE, 'Six-jump-cycle mechanism for collective correlations in nonstoichiometric intermetallic compounds', Defect and Diffusion Forum, 251-252 (Diffusion and Defect Data. Pt A) 59-68 (2006) [C1]
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2006 | Gosain KL, Chaturvedi DK, Belova IV, Murch GE, 'Vacancy-wind factors and collective correlation factors in nonstoichiometric B2 intermetallic compounds', Defect and Diffusion Forum, 251-252 (Diffusion and Defect Data. Pt A) 69-78 (2006) [C1]
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2006 | Belova IV, Murch GE, 'Phenomenological Aspects of Grain Boundary Diffusion', Defect and Diffusion Forum, 258-260 483-490 (2006) [C1]
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2006 | Belova IV, Murch GE, 'Analysis of Interdiffusion and Intrinsic Diffusion in Multicomponent Alloys to Obtain Information about Diffusion Mechanisms', Defect and Diffusion Forum, 258-260 237-246 (2006) [C1]
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2006 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular Dynamics Study of Carbon Diffusion in Austenite', Defect and Diffusion Forum, 258-260 253-258 (2006) [C1]
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2006 | Belova IV, Sauelis D, Martin M, Murch GE, 'Cation Diffusion and Demixing in Yttria Stabilized Zirconia: Comparison of Assumptions of Constant Electric Field and Constant Current', Defect and Diffusion Forum, 258-260 247-252 (2006) [C1]
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2006 | Belova IV, Murch GE, 'Enhancement of solute self-diffusion in fcc alloys', Philosophical Magazine, 86 1615-1629 (2006) [C1]
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2006 | Belova IV, Samuelis D, Martin M, Murch GE, 'Correlation effects for cation diffusion via vacancy-pairs in fluorite-related oxides', Philosophical Magazine, 86 3559-3567 (2006) [C1]
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2006 | Allnatt AR, Belova IV, Murch GE, 'Atom transport in random two sublattice structures: Analogue of the random alloy sum rule', Philosophical Magazine, 86 5837-5846 (2006) [C1]
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2006 | Belova IV, Murch GE, 'Analysis of Interdiffusion Data in Multicomponent Alloys to Extract Fundamental Diffusion Information', Journal of Phase Equilibria and Diffusion, 27 629-637 (2006) [C1]
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2006 | Belova IV, Murch GE, 'Extraction of Diffusion Correlation Information from Tracer, Interdiffusion and Ionic Conductivity Data', Advances in Science and Technology, 46 54-62 (2006) [C1]
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2006 | Belova IV, Murch GE, Samuelis D, Martin M, 'Contribution to the Theory of Demixing of Yttrium in Yttria-Stabilized-Zirconia in an Electric Field', Advances in Science and Technology, 46 42-47 (2006) [C1]
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2005 | Belova IV, Murch GE, 'Calculation of the effective conductivity and diffusivity in composite solid electrolytes', Journal of Physics and Chemistry of Solids, 66 722-728 (2005) [C1]
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2005 | Sandhu IS, Chaturvedi DK, Belova IV, Murch GE, 'Collective Correlation Factors In Random Non-Stoichiometric Intermetallic Compounds', Defect and Diffusion Forum, 247-248 1-8 (2005) [C1]
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2005 | Gosain KL, Chaturvedi DK, Belova IV, Murch GE, 'Tracer Diffusion by Six-Jump-Cycles in Nonstoichiometric B2 Intermetallic Compounds', Defect and Diffusion Forum, 247-248 9-19 (2005) [C1]
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2005 | Sandhu IS, Chaturvedi DK, Belova IV, Murch GE, 'Tracer Diffusion in Nonstoichiometric Intermetallic Compounds with Random Mixing on Each Sublattice', Defect and Diffusion Forum, 247-248 21-28 (2005) [C1]
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2005 | Hossain MF, Riley DP, Murch GE, 'Ab initio calculations of the electronic structure and bonding characteristics of LaB6', Physical Review B, 72 - (2005) [C1]
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2005 | Belova IV, Murch GE, Filipek R, Danielewski M, 'Theoretical analysis of experimental tracer and interdiffusion data in Cu-Ni-Fe alloys', Acta Materialia, 53 4613-4622 (2005) [C1]
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2005 | Belova IV, Murch GE, 'Analysis of vacancies produced at non-equilibrium concentrations by interdiffusion', Philosophical Magazine, 85 1191-1203 (2005) [C1]
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2005 | Belova IV, Brown MJ, Murch GE, 'Computer simulation of the phenomenological transport coefficient in the lattice gas and Fick's First Law', Philosophical Magazine, 85 1495-1506 (2005) [C1]
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2005 | Belova IV, Brown MJ, Allnatt AR, Murch GE, 'Diffusion kinetics of isolated and paired species: a Monte Carlo study', Philosophical Magazine, 85 2787-2798 (2005) [C1]
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2005 | Belova IV, Murch GE, 'Analysis of carbon diffusion in austenite revisited', Philosophical magazine, 85 4515-4523 (2005) [C1]
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2005 | Belova IV, Murch GE, 'Analysis of the formation of hollow nanocrystals: Theory and Monte Carlo simulation', Journal of Phase Equilibria and Diffusion, 26 430-434 (2005) [C1]
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2005 | Belova IV, Murch GE, 'Sum-rule relationships among phenomenological coefficients: Simplifications for the analysis of segregation and chemical diffusion', Journal of Phase Equilibria and Diffusion, 26 503-509 (2005) [C1]
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2005 | Murch GE, Belova IV, 'Phenomenological Coefficients in Solid-State Diffusion: an Introduction', Diffusion-Fundamentals, 2 8.1-8.13 (2005) [C1]
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2004 | Belova IV, Murch GE, 'Relationships between chemical and tracer diffusion coefficients in strongly ionic crystals', Zeitschrift Fur Metallkunde, 95 870-875 (2004) [C1]
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2004 | Belova IV, Brown MJ, Murch GE, 'Analysis of kinetic demixing of (A,B)O oxides in an electric field and an oxygen potential gradient', Solid State ionics, 167 175-182 (2004) [C1]
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2004 | Brown MJ, Belova IV, Murch GE, 'Prediction of high temperature demixing in oxides in an electric field or an oxygen potential gradient', Journal of Materials Processing Technology, 771-777 (2004) [C1]
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2004 | Belova IV, Murch GE, 'Monte Carlo simulation of the effective thermal conductivity in two-phase material', Journal of Materials Processing Technology, 153-154 741-745 (2004) [C1]
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2004 | Belova IV, Murch GE, 'The Effective Diffusivity in Two-Phase Material', Defect and Diffusion Forum, 218-220 79-86 (2004) [C1]
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2004 | Belova IV, Murch GE, 'Calculation of tracer and chemical diffusion coefficients in the intermetallic compound B-AgMg', Defect and Diffusion Forum, 224-225 45-52 (2004) [C1]
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2004 | Belova IV, Murch GE, 'A simple iterative method for analysing experimental tracer diffusivities in concentrated binary alloys', Defect and Diffusion Forum, 224-225 127-134 (2004) [C1]
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2004 | Belova IV, Brown MJ, Murch GE, 'Analysis of kinetic demixing in a mixed oxide (A,B)O in an oxygen potential gradient', Acta Materialia, 51 1821-1826 (2004) [C1]
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2004 | Belova IV, Murch GE, 'Analysis of the effective diffusivity in nanocrystalline materials', Journal of Metastable and Nanocrystalline Materaisl, 19 25-34 (2004) [C1]
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2004 | Belova IV, Murch GE, 'The sum-rule relation among phenomenological transport coefficients and its consequences in the analysis of collective diffusion problems', Physical Chemistry Chemical Physics: Journal of European Chemical Societies, 3620-3624 (2004) [C1]
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2004 | Belova IV, Murch GE, 'Analysis of composition profiles to obtain interdiffusion coefficients in binary intermetallic compounds', Philosophical Magazine, 84 3655-3662 (2004) [C1]
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2004 | Belova IV, Murch GE, 'The effective diffusivity in polycrystalline material in the presence of interphase boundaries', Philosophical Magazine, 84 17-28 (2004) [C1]
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2004 | Brown MJ, Belova IV, Murch GE, 'Calculation of enhancement factors for solute diffusion in the fcc dilute random alloy', Philosophical Magazine, 84 1105-1112 (2004) [C1]
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2004 | Belova IV, Murch GE, 'Analysis of interdiffusion via vacancy-pairs in strongly ionic solids', Philosophical Magazine, 84 3637-3653 (2004) [C1]
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2003 | Belova IV, Murch GE, 'Solvent diffusion kinetics in the dilute random alloy', Philosophical Magazine, 83 393-399 (2003) [C1]
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2003 | Belova IV, Murch GE, 'Correlated tracer diffusion in an ordered interface structure', Philosophical Magazine, 83 2399-2407 (2003) [C1]
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2003 | Belova IV, Murch GE, 'Computer simulation of solute-enhanced diffusion kinetics in dilute fcc alloys', Philosophical Magazine, 83 377-392 (2003) [C1]
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2003 | Brown MJ, Belova IV, Murch GE, 'Prediction of kinetic demixing in a quaternary mixed oxide (A, B, C)O in an oxygen potential gradient', Philosophical Magazine, 83 1855-1865 (2003) [C1]
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2003 | Belova IV, Murch GE, 'Diffusion in nanocrystalline materials', Journal of Physics and Chemistry of Solids, 64 873-878 (2003) [C1]
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2003 | Murch GE, Belova IV, 'The Lattice Model for Addressing Phenomenological Diffusion Problems Associated with Grain Boundaries', Interface Science, 11 91-97 (2003) [C1]
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2003 | Belova IV, Murch GE, 'Relations between interdiffusivities and intrinsic diffusivities in ternary and quaternary alloys', Philosophical Magazine Letters, 83 73-77 (2003) [C1]
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2003 | Belova IV, Murch GE, 'Erratum: Tracer diffusion in the concentrated lattice gas with self-excitation (Defect and Diffusion Forum (2002) 210-212 (55))', Defect and Diffusion Forum, 218-220 86-86 (2003) | |||||||||||

2003 | Belova IV, Murch GE, 'The Six-Jump Cycle Diffusion Mechanism in Non-Stoichiometric B2 Intermetallics: the Vacancy-Wind Factor', Defect and Diffusion Forum, 213-215 95-106 (2003) [C1]
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2002 | Belova IV, Murch GE, 'A new analysis of diffusion in ternary alloys: application to f.c.c Fe-Ni-Cr alloys', ACTA Materialia, 50 4617-4627 (2002) [C1]
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2002 | Belova IV, Murch GE, 'A theory of tracer diffusion in non-stoichiometric intermetallic compounds', Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 82 269-283 (2002) [C1]
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2002 | Belova IV, Murch GE, 'Calculation of the phenomenological coefficients for diffusion by six jump cycles in non-stoichiometric intermetallic compounds', Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 82 285-296 (2002) [C1]
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2002 | Belova IV, Gentle DS, Murch GE, 'Diffusion kinetics for divacancies in the bcc lattice', Philosophical Magazine Letters, 82 37-41 (2002) [C1]
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2002 | Belova IV, Murch GE, 'Collective and tracer diffusion kinetics in the ternary random alloy', Journal of Physics: Condensed Matter, 14 6897-6907 (2002) [C1]
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2002 | Belova IV, Murch GE, 'Diffusion in substitutionally disordered B2 intermetallics', Journal of Physics: Condensed Matter, 14 9563-9577 (2002) [C1]
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2002 | Belova IV, Murch GE, 'Tracer diffusion in the concentrated lattice gas with self-excitation', Defect and Diffusion Forum, 210-212 55-59 (2002) [C1]
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2002 | Belova IV, Murch GE, 'Determination of atom-vacancy exchange-frequency ratios from experimental intrinsic diffusivities in disordered binary and ternary alloys', Defect and Diffusion Forum, 203-205 125-130 (2002) [C1]
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2001 | Belova IV, Murch GE, 'The transition from Harrison type-B to type-A kinetics in grain-boundary tracer diffusion', Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 81 2447-2455 (2001) [C1]
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2001 | Belova IV, Murch GE, 'A new interpretation of tracer diffusion in Co-Ga', Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 81 95-108 (2001) [C1]
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2001 | Sharma S, Chaturvedi DK, Belova IV, Murch GE, 'Phenomenological coefficients for transport by dumbbell mechanisms in a dilute random bcc alloy', Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 81 431-446 (2001) [C1]
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2001 | Murch GE, Belova IV, 'The vacancy wind effect for chemical diffusion in intermetallic compounds', Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 81 83-94 (2001) [C1]
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2001 | Belova IV, Murch GE, 'Behaviour of the diffusion vacancy-wind factors in the concentrated random alloy', Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 81 1749-1758 (2001) [C1]
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2001 | Belova IV, Murch GE, 'Diffusion in the intermetallic compound CoGa', Materials Processing Technology, 118 79-81 (2001) [C1]
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2001 | Murch GE, Belova IV, 'Diffusion in nickel-based intermetallic compounds taking the L12 structure', Materials Processing Technology, 118 82-87 (2001) [C1]
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2001 | Belova IV, Murch GE, 'Analysis of intrinsic diffusivities in multicomponent alloys', Philosophical Magazine Letters, 81 661-666 (2001) [C1]
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2001 | Belova IV, Murch GE, 'Kinetics of diffusion via divacancies in a concentrated random fcc alloy', Philosophical Magazine Letters, 81 101-108 (2001) [C1]
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2001 | Belova IV, Murch GE, 'Analysis of the Hart Equation in Fine-Grained Material', Defect and Diffusion Forum, 194-199 1223-1226 (2001) [C1]
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2001 | Belova IV, Murch GE, 'A Self-Consitent Theory of Atomic Transport in the B2 Ordered Alloy: The Sum Rule', Defect and Diffusion Forum, 194-199 547-552 (2001) [C1]
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2001 | Murch GE, Belova IV, 'Chemical Diffusion in Ni3A1', Defect and Diffusion Forum, 194-199 541-546 (2001) [C1]
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2001 | Murch GE, Belova IV, 'The Vacancy Wind Effect in Intermetallic Compounds', Defect and Diffusion Forum, 194-199 533-540 (2001) [C1]
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2001 | Belova IV, Murch GE, 'The Six-Jump-Cycle Mechanism in Intermetallic Compounds: Extension to Nonstoichiometric Compositions', Defect and Diffusion Forum, 194-199 411-416 (2001) [C1]
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2001 | Belova IV, Murch GE, 'Kinetic theory and simulation of the antistructural bridge mechanism in ordered alloys/intermetallic compounds of the B2, L12 and D03 structure', Metal Physics and Advanced Technologies, 19 55-62 (2001) In this paper we make use of a number of simple models for diffusion in B2, L12 and D03 model structures in order to determine the percolation thresholds of the antistructural 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.
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2001 | Belova IV, Murch GE, 'Kinetic theory and simulation of impurity diffusion in intermetallic compounds of the B2 and L12 structures', Metal Physics and Advanced Technologies, 19 63-69 (2001) [C1] In this paper we present a formalism for diffusion kinetics of impurities in intermetallic compounds taking the common B2 and L12 structures. For the B2 structure, where only 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.
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2000 | Belova IV, Murch GE, 'The contribution of the tracer correlation factor to the diffusion activation energy in intermetallic compounds', Journal of Physics and Chemistry of Solids, 61 1755-1760 (2000) [C1]
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2000 | Belova IV, Murch GE, 'Collective diffusion in the binary random alloy', Philosophical Magazine A, 80 599-607 (2000) [C1]
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2000 | Belova IV, Murch GE, 'Tracer correlation factors in the random alloy', Philosophical Magazine A, 80 1469-1479 (2000) [C1]
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2000 | Belova IV, Murch GE, 'Diffusion correlation effects and the isotope effect in intermetallic compounds', Philosophical Magazine A, 80 2073-2081 (2000) [C1]
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2000 | Murch GE, Belova IV, 'Tracer diffusion and the isotope effect in the binary random alloy', Philosophical Magazine A, 80 2365-2373 (2000) [C1]
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2000 | Belova IV, Murch GE, 'The contribution of the six-jump cycle to tracer diffusion in a two-dimensional ordered structure', Philosophical Magazine A, 80 1481-1493 (2000) [C1]
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2000 | Murch GE, Belova IV, 'Chemical diffusion by vacancy pairs in intermetallic compounds with the B2 structure', Philosophical Magazine Letters, 80 569-575 (2000) [C1]
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2000 | Sharma S, Chaturvedi DK, Belova IV, Murch GE, 'Atomic diffusion by the dumb-bell mechanism in a concentrated random bcc alloy', Philosphical Magazine Letters, 80 65-72 (2000) [C1]
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2000 | Murch GE, Belova IV, 'Tracer Correlation, collective correlation and vacancy wind factors in intermetallics taking the B2 structure', Defect and Fiffusion Forum, 179-180 1-16 (2000) [C1]
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1999 | Belova IV, Murch GE, 'Relating tracer and chemical diffusion coefficients in intermetallic compounds', The Journal of Physics and Chemistry of Solids, 60 2023-2029 (1999) [C1]
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1999 | Belova IV, Murch GE, 'Tracer diffusion via bound vacancy pairs in cation mixed ionic crystals', The Philosophical Magazine, 79 2681-2690 (1999) [C1]
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1999 | Belova IV, Murch GE, 'Limits of the tracer diffusion coefficient ratio in highly ordered alloys and intermetallic compounds', The Philosophical Magazine A, 79 193-202 (1999) [C1]
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1999 | Belova IV, Murch GE, 'Diffusion kinetics for migration by vacancy pairs in ionic crystals', The Philosophical Magazine A, 79 1509-1515 (1999) [C1]
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1999 | Belova IV, Murch GE, 'Kinetic theory and simulation of the antistructural bridge mechanism in ordered alloys/intermetallic compounds of the B2, L1(2) and D0(3) structure', METALLOFIZIKA I NOVEISHIE TEKHNOLOGII, 21 36-40 (1999)
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1999 | Belova IV, Murch GE, 'Kinetic theory and simulation of impurity diffusion in intermetallic compounds of the B2 and L1(2) structures', METALLOFIZIKA I NOVEISHIE TEKHNOLOGII, 21 41-45 (1999)
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1999 | Murch GE, Belova IV, 'Diffusion mechanisms in intermetallic compounds', Materials Forum, 23 179-188 (1999) [C1]
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1999 | Belova IV, Murch GE, 'Analysis of diffusion mechanisms in Ni_3Al, Ni_3Ge, and Ni_3Ga', Defect and Diffusion Forum, 177 59-68 (1999) [C1]
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1999 | Murch GE, Belova IV, 'Kinetic Theory of diffusion by vacancy pairs in mixed ionic compounds with the CsCl structure', Radiation Efeects and Defects in Solids, 151 21-27 (1999) [C1]
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1998 | Belova IV, Murch GE, 'An Interpretation of Tracer Diffusion in B-Cu-Zn', Acta Metallurgica Inc., 46 849-855 (1998) [C1]
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1998 | Belova IV, Murch GE, 'The anti-structural bridge mechanism for diffusion in ordered alloys of the B2 type', Intermetallics, 6 115-119 (1998) [C1]
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1998 | Belova IV, Murch GE, 'Percolation and the anti-structural bridge mechanism for diffusion in ordered alloys of the L12 type', Intermetallics, 6 403-411 (1998) [C1]
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1998 | Belova IV, Murch GE, 'Tracer diffusion in alloys with the DO3 structure: application to Fe3Si and Cu3Sn', Journal of Physics and Chemistry of Solids, 59 1-6 (1998) [C1]
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1998 | Belova IV, Murch GE, 'Test of the validity of the Darken/Manning relation for diffusion in ordered alloys taking the L12 structure', Philosophical Magazine A, 78 1085-1092 (1998) [C1]
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1998 | Belova IV, Murch GE, 'Theory of diffusion kinetics in the bcc random alloy', Philosophical Magazine A, 77 1053-1065 (1998) [C1]
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Show 395 more journal articles |

### Review (2 outputs)

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

2001 | Murch GE, 'Diffusion: Novel measurement methods', Encyclopedia of Materials: Science and Technology (2001) [D1] |

### Conference (70 outputs)

Year | Citation | Altmetrics | Link | ||||||
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2014 | Sulong MA, Mathier V, Fiedler T, Belova IV, Murch GE, 'Compressive properties of corevoÂ® 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 CorevoÂ® foam. CorevoÂ® foam is a cellular metal manufactured by the infiltration casting of salt dough with aluminium. CorevoÂ® 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 (ÂµCT). 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. Â© (2014) Trans Tech Publications, Switzerland.
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2014 | Kammerer C, Kulkarni N, Warmack R, Perry K, Belova I, Murch G, Sohn Y, 'Impurity diffusion coefficients of Al and Zn in Mg determined from solid-to-solid diffusion couples', Magnesium Technology (2014) [E1] Increasing use and development of lightweight Mg-alloys have led to the desire for more fundamental research in and understanding of Mg-based systems. As property enhancing 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.
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2013 | Murch G, Ochsner A, Shokuhfar A, Delgado J, 'Diffusion in Solids and Liquids VIII' (2013) [E4] | ||||||||

2012 | Ochsner A, Murch GE, Shokuhfar A, Delgado JMPQ, 'Diffusion in Solids and Liquids VII. Selected, peer reviewed papers from the 7th International Conference on Diffusion in Solids and Liquids', Diffusion in Solids and Liquids VII. Selected, peer reviewed papers from the 7th International Conference on Diffusion in Solids and Liquids, Mass Transfer - Heat Transfer - Microstructure & Propertie, Algarve, Portugal (2012) [E4] | ||||||||

2012 | Ochsner A, Murch GE, Shokuhfar A, Delgado JMPQ, 'Diffusion in Solids and Liquids VII. Selected, peer reviewed papers from the 7th International Conference on Diffusion in Solids and Liquids', Diffusion in Solids and Liquids VII. Selected, peer reviewed papers from the 7th International Conference on Diffusion in Solids and Liquids, Mass Transfer - Heat Transfer - Microstructure & Propertie, Algarve, Portugal (2012) [E4] | ||||||||

2011 | Wang M, Mignone PJ, Riley DP, Franks GV, Fiedler T, Murch GE, 'Electronic poster: A massively parallel Lattice Monte Carlo algorithm in CUDA for thermal conduction simulations', Proceedings of the 2011 companion on High Performance Computing Networking, Storage and Analysis Companion, Seattle, WA (2011) [E1]
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2011 | Belova IV, Murch GE, Fiedler T, 'The Harrison diffusion kinetics regimes in grain boundary diffusion: Lattice Monte Carlo Modelling of the effect of segregation', Defect and Diffusion Forum Series, Moscow, Russia (2011) [E1]
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2011 | Ochsner A, Murch GE, Delgado JMPQ, 'Conference Editors', Diffusion in Solids and Liquids VI, Paris, France (2011) [E4] | ||||||||

2010 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Monte Carlo simulation of hollow sphere formation by the Kirkendall effect in a core-shell diffusion couple with an ordering tendency', 1st International Conference. Reaction Kinetics in Condensed Matter (RKCM). Book of Abstracts, Moscow, Russia (2010) [E3]
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2010 | Levchenko EV, Evteev AV, Hagel FA, Belova IV, Murch GE, 'Atomistic simulation of self-heating reactions in Al-coated Ni nanoparticles', 1st International Conference. Reaction Kinetics in Condensed Matter (RKCM). Book of Abstracts, Moscow, Russia (2010) [E3]
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2010 | Evteev AV, Levchenko EV, Beck DR, Belova IV, Murch GE, 'Molecular dynamics simulation of liquid Ni50Al50 alloy', European Materials Research Society: Fall Meeting, E-MRS 2010, Warsaw, Poland (2010) [E3]
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2010 | Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Molecular dynamics study of diffusion and surface segregation in Ni-Al nanoparticles and thin films', European Materials Research Society: Fall Meeting, E-MRS 2010, Warsaw, Poland (2010) [E3]
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2010 | Evteev AV, Levchenko EV, Riley DP, Belova IV, Murch GE, 'Molecular dynamics simulation of reactions forming Ni-Al nanoparticles', TMS Annual Meeting. Final Program, Washington, DC (2010) [E3]
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2010 | Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Pd2Ni surface-sandwich ordering at the nanoscale: Atomistic simulations and first-principles calculations', TMS Annual Meeting. Final Program, Washington, DC (2010) [E3]
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2010 | Murch GE, Belova IV, Fiedler T, 'Full delineation of Harrison's diffusion kinetics regimes for grain boundary diffusion: A Monte Carlo Study', TMS Annual Meeting. Final Program, Washington, DC (2010) [E3]
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2010 | Fiedler T, Veyhl C, Belova IV, Murch GE, 'Numerical simulation of thermal management with heat sink composites', Proceedings - 12th IEEE Intersociety Conference on Thermal and Thermomechanical Phenomena in Electronic Systems, ITherm 2010, Las Vegas, NV (2010) [E1]
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2010 | Fiedler T, Murch GE, Belova IV, 'Solving complex thermal and mass transport problems with the Lattice Monte Carlo method', Materials Science Forum, Carins, Australia (2010) [E1]
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2010 | Fiedler T, Murch GE, Bernthaler T, Belova IV, 'Numerical characterization of anisotropic heat sink composites', Materials Science Forum, Cairns, Australia (2010) [E1]
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2010 | Fiedler T, Belova IV, Ochsner A, Murch GE, 'A lattice Monte Carlo analysis of thermal transport in phase change materials', Diffusion in Solids and Liquids V: Proceedings of the 5th International Conference on Diffusion in Solids and Liquids (DSL-2009), Grand Hotel Palazzo Carpegna, Rome Italy (2010) [E1]
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2010 | Belova IV, Murch GE, Fiedler T, 'Parametric analysis of the classification of Harrison kinetics regimes in grain boundary diffusion', Diffusion in Solids and Liquids V: Proceedings of the 5th International Conference on Diffusion in Solids and Liquids (DSL-2009), Grand Hotel Palazzo Carpegna, Rome Italy (2010) [E1]
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2010 | Belova IV, Murch GE, 'The nature of the vacancy-wind effect occurring in diffusion via six- jump-cycles in B2 intermetallics', Diffusion in Solids and Liquids V: Proceedings of the 5th International Conference on Diffusion in Solids and Liquids (DSL-2009), Grand Hotel Palazzo Carpegna, Rome Italy (2010) [E1]
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2009 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Monte Carlo simulation of the formation and shrinkage of hollow binary alloy nanospheres', International Conference and Exhibition on Materials and AustCeram 2009: Program and Abstracts, Surfers Paradise, QLD (2009) [E3]
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2009 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Prediction of Pd2Ni surface-sandwich ordering at the nanoscale', International Conference and Exhibition on Materials and AustCeram 2009: Program and Abstracts, Surfers Paradise, QLD (2009) [E3]
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2009 | Murch GE, Evteev AV, Levchenko EV, Belova IV, 'Diffusion and reaction in nanoparticles simulation studies', International Symposium on Thermodynamics and Transport Kinetics of Nanostructured Materials (TTk), Castle Nordkirchen, Germany (2009) [E3]
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2009 | Ochsner A, Murch GE, Shokuhfar A, 'Conference editors', Diffusion in Solids and Liquids IV, Barcelona, Spain (2009) [E4] | ||||||||

2008 | Belova IV, Murch GE, Evteev AV, Levchenko EV, 'A combined molecular dynamics and Monte Carlo calculation of the chemical diffusivity in cementite (Fe3C)', Abstracts of DIMAT 2008: 7th International Conference on Diffusion in Materials, Lanzarote, Canary Islands (2008) [E3]
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2008 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Phenomenological analysis and Monte Carlo simulation of diffusion in hollow binary alloy nanospheres', Scientific Programme and Book of Abstracts E-MRS 2008 Fall Meeting, Warsaw, Poland (2008) [E3]
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2008 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics study of formation by interdiffusion of Pd-Ni and Ag-Ni nanoparticles', Scientific Programme and Book of Abstracts E-MRS 2008 Fall Meeting, Warsaw, Poland (2008) [E3]
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2007 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Phenomenological and atomistic study of the shrinking kinetics of hollow nanospheres and nanotubes', ARNAM 2007 Annual Workshop. Conference Booklet, Kioloa, NSW (2007) [E3]
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2007 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Effect of surface segregation on the structure of Pd-Ni alloy nanoparticles', ARNAM 2007 Annual Workshop. Conference Booklet, Kioloa, NSW (2007) [E3]
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2007 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Hollow nanospheres and nanotubes: Diffusion and stability', DIFTRANS-07. 4th International Workshop. Diffusion and Diffusional Phase Transformations in Alloys. Abstract Booklet, Sofiyivka, Ukraine (2007) [E3]
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2007 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Surface segregation in bimetallic Pd-Ni Nanoparticles: a molecular dynamics study', DIFTRANS-07. 4th International Workshop. Diffusion and Diffusional Phase Transformations in Alloys. Abstract Booklet, Sofiyivka, Ukraine (2007) [E3]
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2007 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Recent simulation and analytical findings on carbon diffusion processes in austenite', DIFTRANS-07. 4th International Workshop. Diffusion and Diffusional Phase Transformations in Alloys. Abstract Booklet, Sofiyivka, Ukraine (2007) [E3]
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2007 | Belova IV, Evteev AV, Levchenko EV, Murch GE, 'The formation, stability and shrinkage of hollow nanocrystalline structures', NMD-ATM 2007. 61st Annual Technical Meeting. Programme and Abstracts, Mumbai, India (2007) [E3]
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2007 | Belova IV, Murch GE, 'Bridging different length and time scales in diffusion problems using a lattice Monte Carlo method', Solid State Phenomena: Proceedings of the Symposium: Multiscale Kinetic Modelling of Materials, Warsaw, Poland (2007) [E1]
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2007 | Belova IV, Murch GE, Muthubandara NU, Ochsner A, 'Analysis of oxygen segregation at metal-oxide interfaces using a new lattice Monte Carlo method', Solid State Phenomena: Proceedings of the Symposium: Multiscale Kinetic Modelling of Materials, Warsaw, Poland (2007) [E1]
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2006 | Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics study of carbon diffusion in austenite', Diffusion in Solids and Liquids, Univ Aveiro, Aveiro, PORTUGAL (2006) [E1]
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2005 | Belova IV, Murch GE, 'Analysis of atomic concentration profiles in interdiffusion and access to non-equilibrium vacancy concentrations', Diffusion in Materials - DIMAT2004, Krakow, Poland (2005) [E1]
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2005 | Belova IV, Murch GE, 'Analysis of the effective diffusivity and conductivity in three-phase composite material consisting of the host and coated inclusions', Diffusion in Materials - DIMAT2004, Krakow, Poland (2005) [E1]
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2005 | Mishin Y, Belova IV, Murch GE, 'Atomistic modeling of diffusion in the TiAl compound', Diffusion in Materials - DIMAT2004, Krakow, Poland (2005) [E1]
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2005 | Belova IV, Murch GE, 'Consequences on chemical diffusion in materials of sum-rule relations between phenomenological coefficients', Diffusion in Materials - DIMAT2004, Krakow, Poland (2005) [E1]
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2005 | Belova IV, Murch GE, 'Random-walk calculations in intermetallic compounds', Diffusion in Materials - DIMAT2004, Krakow, Poland (2005) [E1]
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2005 | Belova IV, Brown MJ, Murch GE, 'Simulation of the phenomenological and diffusion coefficients for interstitial diffusion in interstitial solid solutions', Diffusion in Materials - DIMAT2004, Krakow, Poland (2005) [E1]
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2005 | Belova IV, Murch GE, 'Computer simulation of the formation of hollow nanocrystals', Diffusion Fundamentals, Leipzig (2005) [E2]
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2005 | Belova IV, Murch GE, 'Carbon Interstitial diffusion in y-Fe', Diffusion Fundamentals, Leipzig (2005) [E2]
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2004 | Belova IV, Murch GE, 'Expressions for the effective diffusivity in materials with interphase boundaries', MRS 2004 Spring Conference, San Francisco (2004) [E1]
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2004 | Belova IV, Brown MJ, Murch GE, 'A formalism to describe demixing of mixed oxides of large and small grain size in an electric field', MRS 2004 Spring Conference, San Francisco (2004) [E1]
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2003 | Belova IV, Murch GE, 'The sum-rule relation among phenomenological transport coefficients and its consequences in the analysis of collective diffusion problems', Atomic Transport in Solids: Theory and Experiments, Germany (2003) [E3]
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2003 | Brown MJ, Belova IV, Murch GE, 'Prediction of High Temperature Demixing in Oxides in an Electric Field or an Oxygen Potential Gradient', Proceedings of the International Conference on Advanced in Materials and Processing Technologies (AMPT 2003), Dublin, Republic of Ireland (2003) [E2]
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2003 | Belova IV, Murch GE, 'Monte Carlo Simulation of the Effective Thermal Conductivity in Two-Phase Material', Proceedings of the International Conference on Advanced in Materials and Processing Technologies (AMPT 2003), Dublin, Republic of Ireland (2003) [E2]
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2003 | Murch GE, Belova IV, 'The effective diffusivity in porous media and nanocrystalline materials', Mass and Charge Transport in Inorganic Materials II, Florence, Italy (2003) [E1]
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2003 | Murch GE, Belova IV, 'Diffusion in Multicomponent Alloys', Mass and Charge Transport in Inorganic Materials II, Florence, Italy (2003) [E2]
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2003 | Belova IV, Murch GE, 'Diffusion kinetics in nonstoichiometric intermetallic compounds', Mass and Charge Transport in Inorganic Materials II, Florence, Italy (2003) [E1]
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2002 | Belova IV, Murch GE, 'Estimation of the phenomenological effective diffusivity in nanocrystalline materials', 2002 Spring Meeting Proceedings - MRS Proceedings Volume 731, San Francisco (2002) [E1]
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2002 | Belova IV, Murch GE, 'Time Dependence of the Segregation of Diffusing Solute in Nanocrystalline Materials', 2002 Spring Meeting Proceedings - MRS Proceedings Volume 731, San Francisco (2002) [E1]
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2001 | Belova IV, Murch GE, 'A Simulation Study of Tracer Diffusion Concentration Profiles Resulting from the Transition from Dislocation Pipes to a Grain Boundary Slab', 2001 Spring Meeting Proceedings Symposium AA Advances in Materials Tehory and Modelling--Bridging Over Multiple-Length and Time Scales, San Francisco (2001) [E1]
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2001 | Riley DP, Belova IV, Murch GE, 'Percolation/Diffusion through the Void Space of a Bed of Randomly Packed Particles of Different Sizes', 2001 Spring Meeting Proceedings Symposium AA Advances in Materials Theory and Modelling--Bridging Over Multiple-Length and Time Scales, San Francisco (2001) [E1]
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2001 | Belova IV, Murch GE, 'Diffusion in the Presence of Grain Boundaries: a Variable Length Scale Simulation Method', 2001 Spring Meeting Proceedings Symposium AA Advances in Materials Theory and Modelling--Bridging Over Multiple-Length and Time Scales, San Francisco (2001) [E1]
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2001 | Belova IV, Murch GE, 'The Origin of the Vacancy-Wind Effect in Intermetallic Compounds', Nonstoichiometric Ceramics and Intermetallics, Italy (2001) [E3]
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2001 | Belova IV, Murch GE, 'A theory of diffusion in nonstoichiometric intermetallic compounds', Nonstoichiometric Ceramics and Intermetallics, Italy (2001) [E3]
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1999 | Belova IV, Murch GE, 'Impurity diffusion kinetics in nickel-based intermetallic compounds of the L1_2 structure', Abstracts of the 1999 MRS Spring Meeting, San Francisco (1999) [E3]
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1999 | Murch GE, Belova IV, 'The contribution of the six-jump-cycle mechanism to tracer diffusion in intermetallic compounds', Abstracts of the 1999 MRS Spring Meeting, San Francisco (1999) [E3]
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1999 | Belova IV, Murch GE, 'Diffusion in the intermetallic compound CoGa', Proceedings of the International Conference on advances in materials and processing technologies, Dublin (1999) [E1]
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1999 | Murch GE, Belova IV, 'Diffusion in nickel-based intermetallic compounds taking the L1_2 structure', Proceedings of the international conference on advances in materials and processing technologies, Dublin (1999) [E1]
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1998 | Belova IV, Murch GE, 'Analysis of impurity diffusion in ordered alloys and intermetallic compounds of the L12 type', Materials REsearch Society Symposium Proceedings Volume 527, San Francisco, April 13-16, 1998 (1998) [E1]
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1998 | Murch GE, Belova IV, 'Theory and simulation of diffusion kinetics in intermetallic compounds', Materials Research Society Symposium Proceedings Volume 527, San Francisco, April 13-16, 1998 (1998) [E1]
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Show 67 more conferences |

*Edit*

## Grants and Funding

### Summary

Number of grants | 49 |
---|---|

Total funding | $7,330,650 |

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

## 20141 grants / $8,847

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch, Professor Zi-Kui Liu |

Scheme | International Research Visiting Fellowship |

Role | Lead |

Funding Start | 2014 |

Funding Finish | 2014 |

GNo | G1400852 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 20132 grants / $1,115,000

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Irina Belova, Professor Graeme Murch, Professor Yongho Sohn |

Scheme | Discovery Projects |

Role | Investigator |

Funding Start | 2013 |

Funding Finish | 2013 |

GNo | G1200054 |

Type Of Funding | Aust Competitive - Commonwealth |

Category | 1CS |

UON | Y |

### Structural design of third generation biomaterials$305,000

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch, Doctor Thomas Fiedler, Professor Aldo Boccaccini |

Scheme | Discovery Projects |

Role | Lead |

Funding Start | 2013 |

Funding Finish | 2013 |

GNo | G1200061 |

Type Of Funding | Aust Competitive - Commonwealth |

Category | 1CS |

UON | Y |

## 20122 grants / $50,000

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Elena Pereloma, Professor Shi Xue Dou, Professor Peter Hodgson, Professor Gordon Wallace, Dr David Wexler, Professor Graeme Murch, Dr Zhixin Chen, Dr Ilana Timokhina, Dr Hossein Beladi, Dr Nicole Stanford, Dr Pavel Cizek, Dr Dhriti Bhattacharyya, Professor Irina Belova, Dr Frank Barbaro |

Scheme | Equipment Grant |

Role | Lead |

Funding Start | 2012 |

Funding Finish | 2012 |

GNo | G1100809 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch, Doctor Elena Levchenko, Doctor Alexander Evteev |

Scheme | Near Miss Grant |

Role | Lead |

Funding Start | 2012 |

Funding Finish | 2012 |

GNo | G1200670 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 20101 grants / $360,000

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Irina Belova, Professor Graeme Murch |

Scheme | Discovery Projects |

Role | Investigator |

Funding Start | 2010 |

Funding Finish | 2010 |

GNo | G0189976 |

Type Of Funding | Aust Competitive - Commonwealth |

Category | 1CS |

UON | Y |

## 20091 grants / $60,000

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Irina Belova, Doctor Thomas Fiedler, Professor Andreas Oechsner, Professor Graeme Murch, Doctor Elena Levchenko, Doctor Alexander Evteev |

Scheme | Near Miss Grant |

Role | Investigator |

Funding Start | 2009 |

Funding Finish | 2009 |

GNo | G0189820 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 20081 grants / $2,500

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Travel Grant |

Role | Lead |

Funding Start | 2008 |

Funding Finish | 2008 |

GNo | G0189633 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 20071 grants / $743,484

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Discovery Projects |

Role | Lead |

Funding Start | 2007 |

Funding Finish | 2007 |

GNo | G0186247 |

Type Of Funding | Aust Competitive - Commonwealth |

Category | 1CS |

UON | Y |

## 20061 grants / $524,282

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Laureate Professor Scott Sloan, Professor Irina Belova, Emeritus Professor John Carter, Professor Graeme Murch, Professor Daichao Sheng, Professor Stephen Fityus, Professor Andrei Lyamin, Associate Professor Andrew Abbo, Associate Professor Kristian Krabbenhoft |

Scheme | Priority Research Centre |

Role | Investigator |

Funding Start | 2006 |

Funding Finish | 2006 |

GNo | G0186948 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 20052 grants / $1,261,588

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | |

Scheme | Linkage Projects |

Role | Investigator |

Funding Start | 2005 |

Funding Finish | 2007 |

GNo | |

Type Of Funding | Not Known |

Category | UNKN |

UON | Y |

### Theory for the Formation of Nanospheres$11,588

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Irina Belova, Professor Graeme Murch |

Scheme | Project Grant |

Role | Investigator |

Funding Start | 2005 |

Funding Finish | 2005 |

GNo | G0184743 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 20043 grants / $1,007,584

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Irina Belova, Professor Graeme Murch |

Scheme | Discovery Projects |

Role | Investigator |

Funding Start | 2004 |

Funding Finish | 2004 |

GNo | G0182791 |

Type Of Funding | Aust Competitive - Commonwealth |

Category | 1CS |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Irina Belova, Professor Graeme Murch |

Scheme | Project Grant |

Role | Investigator |

Funding Start | 2004 |

Funding Finish | 2004 |

GNo | G0183393 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Travel Grant |

Role | Lead |

Funding Start | 2004 |

Funding Finish | 2004 |

GNo | G0184469 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 20032 grants / $15,359

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Irina Belova, Professor Graeme Murch |

Scheme | Project Grant |

Role | Investigator |

Funding Start | 2003 |

Funding Finish | 2003 |

GNo | G0182335 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Travel Grant |

Role | Lead |

Funding Start | 2003 |

Funding Finish | 2003 |

GNo | G0183176 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 20023 grants / $652,873

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Discovery Projects |

Role | Lead |

Funding Start | 2002 |

Funding Finish | 2002 |

GNo | G0181103 |

Type Of Funding | Aust Competitive - Commonwealth |

Category | 1CS |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Irina Belova, Professor Graeme Murch |

Scheme | Project Grant |

Role | Investigator |

Funding Start | 2002 |

Funding Finish | 2002 |

GNo | G0181323 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Travel Grant |

Role | Lead |

Funding Start | 2002 |

Funding Finish | 2002 |

GNo | G0182001 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 20013 grants / $212,418

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Irina Belova, Professor Graeme Murch |

Scheme | Large Grant |

Role | Investigator |

Funding Start | 2001 |

Funding Finish | 2001 |

GNo | G0179260 |

Type Of Funding | Aust Competitive - Commonwealth |

Category | 1CS |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Irina Belova, Professor Graeme Murch |

Scheme | Project Grant |

Role | Investigator |

Funding Start | 2001 |

Funding Finish | 2001 |

GNo | G0179981 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Travel Grant |

Role | Lead |

Funding Start | 2001 |

Funding Finish | 2001 |

GNo | G0181430 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 20003 grants / $279,608

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Large Grant |

Role | Lead |

Funding Start | 2000 |

Funding Finish | 2000 |

GNo | G0178508 |

Type Of Funding | Aust Competitive - Commonwealth |

Category | 1CS |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch, Professor Erich Kisi |

Scheme | Multi-Year Project Grant Scholarship |

Role | Lead |

Funding Start | 2000 |

Funding Finish | 2000 |

GNo | G0178876 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Travel Grant |

Role | Lead |

Funding Start | 2000 |

Funding Finish | 2000 |

GNo | G0179714 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 19994 grants / $404,133

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Large Grant |

Role | Lead |

Funding Start | 1999 |

Funding Finish | 1999 |

GNo | G0177793 |

Type Of Funding | Aust Competitive - Commonwealth |

Category | 1CS |

UON | Y |

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Large Grant |

Role | Lead |

Funding Start | 1999 |

Funding Finish | 1999 |

GNo | G0177794 |

Type Of Funding | Aust Competitive - Commonwealth |

Category | 1CS |

UON | Y |

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Small Grant |

Role | Lead |

Funding Start | 1999 |

Funding Finish | 1999 |

GNo | G0178101 |

Type Of Funding | Scheme excluded from IGS |

Category | EXCL |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Travel Grant |

Role | Lead |

Funding Start | 1999 |

Funding Finish | 1999 |

GNo | G0180466 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 19984 grants / $73,164

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch, Assoc. Prof C Sholl |

Scheme | Special Scholarship Initiative Grants |

Role | Lead |

Funding Start | 1998 |

Funding Finish | 1998 |

GNo | G0177745 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Small Grant |

Role | Lead |

Funding Start | 1998 |

Funding Finish | 1998 |

GNo | G0177382 |

Type Of Funding | Scheme excluded from IGS |

Category | EXCL |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Visitor Grant |

Role | Lead |

Funding Start | 1998 |

Funding Finish | 1998 |

GNo | G0177720 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Travel Grant |

Role | Lead |

Funding Start | 1998 |

Funding Finish | 1998 |

GNo | G0180366 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 19973 grants / $195,056

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Large Grant |

Role | Lead |

Funding Start | 1997 |

Funding Finish | 1997 |

GNo | G0176158 |

Type Of Funding | Aust Competitive - Commonwealth |

Category | 1CS |

UON | Y |

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Small Grant |

Role | Lead |

Funding Start | 1997 |

Funding Finish | 1997 |

GNo | G0176549 |

Type Of Funding | Scheme excluded from IGS |

Category | EXCL |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Travel Grant |

Role | Lead |

Funding Start | 1997 |

Funding Finish | 1997 |

GNo | G0179531 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 19964 grants / $17,206

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Multi-Year Small Grant Scholarship |

Role | Lead |

Funding Start | 1996 |

Funding Finish | 1996 |

GNo | G0175730 |

Type Of Funding | Aust Competitive - Commonwealth |

Category | 1CS |

UON | Y |

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Small Grant |

Role | Lead |

Funding Start | 1996 |

Funding Finish | 1996 |

GNo | G0175732 |

Type Of Funding | Scheme excluded from IGS |

Category | EXCL |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Travel Grant |

Role | Lead |

Funding Start | 1996 |

Funding Finish | 1996 |

GNo | G0176435 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Travel Grant |

Role | Lead |

Funding Start | 1996 |

Funding Finish | 1996 |

GNo | G0176101 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 19952 grants / $183,310

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Large Grant |

Role | Lead |

Funding Start | 1995 |

Funding Finish | 1995 |

GNo | G0174464 |

Type Of Funding | Aust Competitive - Commonwealth |

Category | 1CS |

UON | Y |

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Small Grant |

Role | Lead |

Funding Start | 1995 |

Funding Finish | 1995 |

GNo | G0174975 |

Type Of Funding | Scheme excluded from IGS |

Category | EXCL |

UON | Y |

## 19943 grants / $25,000

### Structural Analysis and Computer Generation of Melody$20,000

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch, Professor Robert Constable |

Scheme | Small Grant |

Role | Lead |

Funding Start | 1994 |

Funding Finish | 1994 |

GNo | G0174817 |

Type Of Funding | Scheme excluded from IGS |

Category | EXCL |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Travel Grant |

Role | Lead |

Funding Start | 1994 |

Funding Finish | 1994 |

GNo | G0174518 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Travel Grant |

Role | Lead |

Funding Start | 1994 |

Funding Finish | 1994 |

GNo | G0175107 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

## 19923 grants / $139,238

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Large Grant |

Role | Lead |

Funding Start | 1992 |

Funding Finish | 1992 |

GNo | G0173080 |

Type Of Funding | Aust Competitive - Commonwealth |

Category | 1CS |

UON | Y |

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

**Funding body: **ARC (Australian Research Council)

Funding body | ARC (Australian Research Council) |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Small Grant |

Role | Lead |

Funding Start | 1992 |

Funding Finish | 1992 |

GNo | G0173591 |

Type Of Funding | Scheme excluded from IGS |

Category | EXCL |

UON | Y |

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

**Funding body: **University of Newcastle

Funding body | University of Newcastle |
---|---|

Project Team | Professor Graeme Murch |

Scheme | Project Grant |

Role | Lead |

Funding Start | 1992 |

Funding Finish | 1992 |

GNo | G0174186 |

Type Of Funding | Internal |

Category | INTE |

UON | Y |

*Edit*

## Research Supervision

### Current Supervision

Commenced | Research Title / Program / Supervisor Type |
---|---|

2015 | Modelling of Thermotransport in Engineering MaterialsMechanical Engineering, Faculty of Engineering and Built Environment Principal Supervisor |

2014 | Onsager Transport CoefficientsMechanical Engineering, Faculty of Engineering and Built Environment Principal Supervisor |

2014 | Thermotransport in Engineering Materials.Mechanical Engineering, Faculty of Engineering and Built Environment Principal Supervisor |

2012 | Characterisation of Advanced Porous MaterialsMechanical Engineering, Faculty of Engineering and Built Environment Co-Supervisor |

2012 | Prediction of Phonon Thermal Conductivity of Materials by Molecular Dynamics SimulationMechanical Engineering, Faculty of Engineering and Built Environment Principal Supervisor |

2012 | Fabrication and Mechanical Properties of Advanced Lightweight MaterialsMechanical Engineering, Faculty of Engineering and Built Environment Co-Supervisor |

### Past Supervision

Year | Research Title / Program / Supervisor Type |
---|---|

2014 | Ti3SiC2 and Ti3AIC2 Single Crystal Elastic Shear Modulus: Investigation via Inelastic Neutron Scattering and Computer SimulationMechanical Engineering, Faculty of Engineering and Built Environment Co-Supervisor |

2009 | Modelling of Heat and Mass Transport in Composite MaterialsMechanical Engineering, Faculty of Engineering and Built Environment Co-Supervisor |

2006 | New Toughening Methods for ThermosetsMechanical Engineering, Faculty of Engineering and Built Environment Co-Supervisor |

2004 | In-situ Neutron Diffraction Analysis of Titanium Silicon Carbide (Ti3SiC2) during Self-Propagating High-Temperature SynthesisMechanical Engineering, Faculty of Engineering and Built Environment Co-Supervisor |

2003 | In-situ Diffraction Study of Perturbed Ferroelectric Crystal StructuresMechanical Engineering, Faculty of Engineering and Built Environment Co-Supervisor |

*Edit*

## 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

graeme.murch@newcastle.edu.au | |

Phone | (02) 4921 6191 |

Fax | (02) 4921 6946 |

### Office

Room | ES421 |
---|---|

Building | Engineering Science - D.W. George |

Location | CallaghanUniversity DriveCallaghan, NSW 2308 Australia |

*Edit*