Selected Recent Publications of the Centre

2007 Publications (including those in press) :

1. Interdiffusion Data in Multicomponent Alloys as a Source of Quantitative Fundamental Diffusion Information, I. V. Belova, and G. E. Murch, Defect and Diffusion Forum, 263, pp 1-10 (2007).
2. Collective and Tracer Diffusion via a Defect Cluster in LSGM, I. V. Belova, D. Samuelis, M. Martin and G. E. Murch, Defect and Diffusion Forum, 263, pp 81-86 (2007).
3. Expressions for Vacancy-Wind Factors Occurring in Interdiffusion in Ternary and Higher Order Alloys, I V Belova and G E Murch, Acta Materialia, 55, pp 627-634 (2007).
4. Analysis of the Demixing of Yttria-Stabilized Zirconia in an Electric Field for Different Diffusion Mechanisms, I V Belova, D Samuelis, M Martin and G E Murch, Philosophical Magazine, accepted for publication and in press.
5. Calculation of the Effective Thermal Conducivity in Composites Using Finite Element and Monte Carlo Methods, T. Fiedler, A Öchsner, N Muthubandara, I V Belova and G E Murch, Material Science Forum, 553, pp 51-56 (2007).
6. Reactivity of Ideal and Defected Rutile TiO2 (110) Surface with Oxygen, F M Hossain, G E Murch, L Sheppard and J Nowotny, Advances in Applied Ceramics, 106, pp 95-100 (2007).
7. Bridging Different Length and Time Scales in Diffusion Problems Using Variable Length Lattice Models, I V Belova and G E Murch, Solid State Phenomena, accepted for publication and in press.
8. Analysis of the Time-Dependence of the Segregation of Oxygen at Metal-Ceramic Oxide Interfaces Using Lattice Monte Carlo and Finite Element Methods, I V Belova, N Muthubandara, G E Murch,  M Stasiek,  A Öchsner, Solid State Phenomena, accepted for publication and in press.
9. Stability of Hollow Nanospheres: a Molecular Dynamics Study, A V Evteev, E V Levchenko, I V Belova and G E Murch, Solid State Phenomena, accepted for publication and in press. Online
10. Shrinking Kinetics by Vacancy Diffusion of a Pure Element Hollow Nanosphere, A V Evteev, E V Levchenko, I V Belova and G E Murch, Philosophical Magazine, accepted for publication and in press.
11. Monte Carlo Modeling of the Effective Diffusivity in Composite Material, I.V. Belova and G.E. Murch, Defect and Diffusion Forum, accepted for publication and in press.
12. Thermal Properties of Composite Materials and Porous Media: Lattice-Based Monte Carlo Approaches, G E Murch and I V Belova, in Cellular and Porous Materials. Thermal Properties Simulation and Prediction, edited by A. Öchsner, G. E. Murch and J.S. de Lemos (Wiley – VCH; Weinheim) in press.
13. Ab initio Electronic Structure Calculation of Oxygen Vacancies in Rutile Titanium Dioxide, F M Hossain, G E Murch, L Sheppard and J Nowotny, Solid State Ionics, accepted for publication and in press.

2006 Publications:

1. Enhancement of Solute Self-Diffusion in F.C.C. Alloys, I V Belova and G E Murch, Philosophical Magazine, 86, pp 161-1629 (2006).
2. Sum-Rule Relations among Phenomenological Coefficients: Application to Segregation and Chemical Diffusion in Multicomponent Alloys and Mixed Ceramic Oxides, I V Belova and G E Murch, Defect and Diffusion Forum, 249, pp 17-26 (2006).
3. Calculation of Phenomenological Coefficients by Monte Carlo Computer Simulation Methods and Verification of Fick’s First Law, G E Murch, M.J. Brown and I V Belova, Defect and Diffusion Forum, 249, pp 27-34 (2006).
4. Atom Transport in Random Two Sublattice Structure: Analogue of the Random Alloy Sum Rule. A R Allnatt, G E Murch and I V Belova, Philosophical Magazine, 86, pp 5837-5846 (2006).
5. Six-Jump-Cycle Mechanism for Collective Correlations in Nonstoichiometric Intermetallic Compounds, K L Gosain, D K Chaturvedi, I V Belova and G E Murch, Defect and Diffusion Forum, 251-252, pp 59-68 (2006).
6. The Effect of Defect Disorder on the Electronic Structure of Rutile TiO2-x, F M Hossain, G E Murch, L Sheppard and J Nowotny, Defect and Diffusion Forum, 251-252, pp 1-12 (2006).
7. Correlation Effects for Cation Diffusion via Vacancy-Pairs in Fluorite-Related Oxides, I V Belova, D Samuelis, G E Murch, and M Martin, Philosophical Magazine, 86, pp 3559-3569 (2006).
8. Vacancy-Wind Factors and Collective Correlation Factors in Nonstoichiometric B2 Intermetallic Compounds, K L Gosain, D K Chaturvedi, I V Belova and G E Murch, Defect and Diffusion Forum, 251-252, pp 69-78 (2006).
9. Analysis of Interdiffusion Data in Multicomponent Alloys to Extract Fundamental Diffusion Information, I V Belova and G E Murch, Journal of Phase Equilibria and Diffusion, 27 pp 629-637 (2006).
10. Extraction of Diffusion Correlation Information from Tracer, Interdiffusion and Ionic Conductivity Data, I V Belova and G E Murch, Advances in Science and Technology, 46, pp 54-62 (2006).
11. Contribution to the Theory of Demixing of Yttrium in Yttria-Stabilized Zirconia in an Electric Field, I V Belova, G E Murch, D Samuelis and M Martin, Advances in Science and Technology, 46, pp. 42-47 (2006).
12. Phenomenological Aspects of Grain Boundary Diffusion, I.V. Belova and G.E. Murch, Defect and Diffusion Forum, 258-260, pp 483-490 (2006).
13. Analysis of Interdiffusion and Intrinsic Diffusion Coefficients in Multicomponent Alloys to Obtain Information about Diffusion Mechanisms, G E Murch and I V Belova, Defect and Diffusion Forum, 258-260, pp 237-246 (2006).
14. Molecular Dynamics Study of Carbon Diffusion in Austenite, A. Evteev, E. Levchenko, I.V. Belova and G.E. Murch, Defect and Diffusion Forum, 258-260, pp 253-258 (2006).
15. Cation Diffusion and Demixing in Yttria-Stabilized Zirconia: Comparison of Assumption of Constant Electric Field and Constant Current, I V Belova, G E Murch, D Samuelis and M Martin, Defect and Diffusion Forum, 258-260, pp 247-252 (2006).

2005 Publications:

1. Calculation of the Effective Conductivity and Diffusivity in Composite Solid Electrolytes, I.V. Belova and G.E. Murch, Journal of Physics and Chemistry of Solids, 66, pp 722-728 (2005).
2. Simulation of the Phenomenological and Diffusion Coefficients for Interstitial Diffusion in Interstitial Solid Solutions, I V Belova, M J Brown and G E Murch, Defect and Diffusion Forum, 237-240, pp 703-708 (2005). Online
3. Random-Walk Calculations in Intermetallic Compounds, I V Belova and G E Murch, Defect and Diffusion Forum, 237-240, pp 291-302 (2005). Online
4. Relationships Between Chemical and Tracer Diffusion Coefficients in Strongly Ionic Crystals, I V Belova and G E Murch, Zeitschrift für Metallkunde, 95, pp 870-875 (2004).
5. Consequences on Chemical Diffusion in Materials of Sum-Rule Relations between Phenomenological Coefficients, I V Belova and G E Murch, Defect and Diffusion Forum, 237-240, pp 789-800 (2005). Online
6. Analysis of the Effective Diffusivity and Conductivity in Three-Phase Composite Material Consisting of the Host and Coated Inclusions, I V Belova and G E Murch, Defect and Diffusion Forum, 237-240, pp 384-389 (2005). Online
7. Analysis of Atomic Concentration Profiles in Interdiffusion and Access to Non-Equilibrium Vacancy Concentrations, I V Belova and G E Murch, Defect and Diffusion Forum, 237-240, pp 861-866 (2005). Online
8. Atomistic Modelling of Diffusion in the TiAl Compound, Y Mishin, I V Belova and G E Murch, Defect and Diffusion Forum, 237-240, pp 271-276 (2005). Online
9. Computer Simulation of the Phenomenological Transport Coefficient in the Lattice Gas and Fick’s First Law, I V Belova, M J Brown and G E Murch, Philosophical Magazine, 85, pp 1495-1506 (2005). Online
10. Diffusion Kinetics of Isolated and Paired Species: a Monte Carlo Study, I V Belova, M J Brown, A R Allnatt and G E Murch, Philosophical Magazine, 85, pp 2787-2798 (2005). Online
11. Analysis of Carbon Diffusion in Austenite Revisited, I V Belova and G E Murch, Philosophical Magazine, 85, pp 4515-4523 (2005).Online
12. Theoretical Analysis of Experimental Tracer and Interdiffusion Data in Cu-Ni-Fe Alloys, I V Belova, G E Murch, R Filipek and M Danielewski, Acta Materialia, 53, pp 4613-4622 (2005).
13. Analysis of Vacancies Produced at Non-Equilibrium Concentrations by Interdiffusion, I V Belova and G E Murch, Philosophical Magazine, 85, pp 1191-1203 (2005).Online
14. Carbon Interstitial Diffusion in γ-Fe, I V Belova and G E Murch, Diffusion Fundamentals 2, pp 9.1-9.2 (2005). Online
15. Computer Simulation of the Formation of Hollow Nanocrystals, I V Belova and G E Murch, Diffusion Fundamentals 2, pp 48.1-48.2 (2005). Online
16. Phenomenological Coefficients in Solid-State Diffusion, G E Murch and I V Belova, Diffusion Fundamentals,2, pp 8.1-8.4 (2005). Online
17. Analysis of the Formation of Hollow Nanocrystals:  Theory and Monte Carlo Simulation, I V Belova and G E Murch, Journal of Phase Equilibria and Diffusion, 26, pp 430-434 (2005).
18. Tracer Diffusion in Nonstoichiometric Intermetallic Compounds with Random Mixing on Each Sublattice, I S Sandhu, D K Chaturvedi, I V Belova and G E Murch, Defect and Diffusion Forum, 247-248, pp 21-29 (2005). Online
19. Sum-Rule Relationships among Phenomenological Coefficients: Simplifications for the Analysis of Segregation and Chemical Diffusion, by I V Belova and G E Murch, Journal of Phase Equilibria and Diffusion, 26, pp 503-509 (2005).
20. Tracer Diffusion by Six-Jump-Cycles in Nonstoichiometric B2 Intermetallic Compounds, K L Gosain, D K Chaturvedi, I V Belova and G E Murch, Defect and Diffusion Forum, 247-248, pp 9-21 (2005). Online
21. Collective Correlation Factors in Random Non-Stoichiometric Intermetallic Compounds, I S Sandhu, D K Chaturvedi, I V Belova and G E Murch, Defect and Diffusion Forum, 247-248, pp 1-9 (2005). Online
22. Ab initio Calculations of the Electronic Structure and Bonding Characteristics of LaB6, F M Hussain, D P Riley and G E Murch, Phys. Rev. B, 72, pp 235101-234106 2005).

2004 Publications: