- 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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