Plenary Lecture

Atomic-Migration-Controlled Processes in Solid Metallic Materials: Power of Atomistic Monte Carlo Techniques

Professor Rafal Abdank-Kozubski
Solid State Physics Department
M. Smoluchowski Institute of Physics
Jagiellonian University
E-mail: rafal.kozubski@uj.edu.pl

Abstract: Atomic migration provides the basic means for any structural transformation in condensed matter. In the solid state, where atomic positions are determined by minima in the energy landscape and continuous translation of atoms is inhibited, migration proceeds via jumps between particular lattice sites. As the sites (corresponding to the energy minima) are separated by energy maxima, the atomic jumps occur due to specific fluctuations of the system consisting of atomic displacements from the sites to off-site positions showing a higher energy. Being thermally activated such a process is treatable by means of diverse atomistic models most often implemented using Transition State Rate theory. This general scheme is followed with specific mechanisms depending on the particular system. In the case of crystalline metals and alloys, atomic migration is predominantly mediated by vacancies – i.e. among a number of atomic-jump scenarios, only atomic jumps with vacancies show non-negligible probabilities. A unique insight at the details of the collectivity and statistics of atomic jumps is provided by atomistic simulations. The power of one of the techniques: the Monte Carlo simulations is demonstrated by discussing two processes commonly occurring in solid materials: (i) steady-state diffusion and (ii) structural relaxation. It is shown how atomistic origins of experimentally observed features of this two processes may be elucidated by computer simulation ‘experiments’.

Brief Biography of the Speaker: Prof. Rafal Kozubski academic carrier: 1984 Ph.D., Jagiellonian University in Kraków, 1987 - 1988 post-doctoral position, Strasbourg Institute of Physics and Chemistry of Materials (IPCMS), France, 1988, 1990, academic visitor, Institute for Applied Physics, Swiss Federal Institute of Technology, Zurich, Switzerland, 1993 - 1995 Lise-Meitner Fellow, Institute for Solid State Physics, University of Vienna, Austria, 1997 habilitation (DSc), Jagiellonian University in Kraków, 1997 - 2006 associate professor, 2006 - full professor in the Jagiellonian University, Kraków, 2006-2008 International Fellow, Queen’s University in Belfast, 2007, 2008, 2009, 2010, 2011 Visiting professor L.Pasteur University in Strasbourg/University of Strasbourg. Research output: over 100 publications in international reviewed journals, over 150 communications on international conferences.

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