Monte Carlo methods in solid state diffusion

Title: Monte Carlo methods in solid state diffusion
Creator: Murch, Graeme E.; Belova, Irina V.
Relation: ARC
Relation: Handbook of Solid State Diffusion, Volume 1: Diffusion Fundamentals and Techniques p. 435-448
Publisher Link: http://dx.doi.org/10.1016/B978-0-12-804287-8.00009-9
Publisher: Elsevier
Resource Type: book chapter
Date: 2017
Description: In this contribution, a guide is given to the history of various applications of the Monte Carlo method to solid-state diffusion using atomistic (Kinetic Monte Carlo) and phenomenological (Lattice Monte Carlo). This is followed by a detailed exposition of how a basic Kinetic Monte Carlo calculation is performed to determine tracer and collective diffusion quantities as well as how the atomic jump frequency is included. This is followed by an exposition of how a basic phenomenological diffusion problem can be addressed in which the effective diffusion coefficients and concentration profiles are determined by the Lattice Monte Carlo method.
Subject: Monte Carlo method; solid-state diffusion; kinetic Monte Carlo; lattice Monte Carlo
Identifier: http://hdl.handle.net/1959.13/1391754
Identifier: uon:33283
Identifier: ISBN:9780128042878
Language: eng

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