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Kinetic Monte Carlo Simulations of Precipitation
Author(s) -
Clouet E.,
Hin C.,
Gendt D.,
Nastar M.,
Soisson F.
Publication year - 2006
Publication title -
advanced engineering materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.938
H-Index - 114
eISSN - 1527-2648
pISSN - 1438-1656
DOI - 10.1002/adem.200600183
Subject(s) - kinetic monte carlo , nucleation , statistical physics , monte carlo method , materials science , homogeneous , precipitation , diffusion , kinetic energy , thermodynamics , transformation (genetics) , physics , mathematics , chemistry , classical mechanics , statistics , meteorology , biochemistry , gene
We present some recent applications of the atomistic diffusion model and of the kinetic Monte Carlo (KMC) algorithm to systems of industrial interest, i.e. Al‐Zr‐Sc and Fe‐Nb‐C alloys, or to model systems. These applications include study of homogeneous and heterogeneous precipitation as well as of phase transformation under irradiation. The KMC simulations are also used to test the main assumptions and limitations of more simple models and classical theories used in the industry, e.g. the classical nucleation theory.