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   COLLOQUIUM OF THE LABORATORY FOR COMPUTER DESIGN OF MATERIALS        
                   School of Computational Sciences	
                           (CSI 898-Sec 001) 
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               Random walk theory of diffusion in solids

                            Y. Mishin
    School of Computational Sciences, George Mason University

There are several approaches to describe diffusion in solids, such as
thermodynamics of irreversible processes, transition state theory, random
walk theory, etc. The goal of this talk is to discuss random-walk aspects
of diffusion in solids. The following specific examples where the
random-walk approach is of key importance are considered: (i) structural
and defect-induced jump correlations in long-period structures, (ii)
diffusion mechanisms in highly ordered compounds, (iii) diffusion in
atomically disordered crystals ("random alloys"). In each case, recent
progress in understanding is discussed and challenging problems are
indicated. Such problems include coupling between different random-walk
mechanisms, random walk near the percolation threshold, random-alloy
simulations beyond the rigid-lattice model, etc.  Computational approaches
allowing to address the existing problems are discussed.

                        Monday , October 23, 2000
                                  4:30 pm
                        Room 206, Science & Tech. I

Refreshments will be served at 4:15 PM.
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Find the schedule at http://csi.gmu.edu/lcdm/seminar/schedule.html