TY - JOUR

T1 - The Monte Carlo simulation of microstructural evolution in metals

AU - Saito, Y.

PY - 1997/2/28

Y1 - 1997/2/28

N2 - The Monte Carlo simulation method is now widely applied to materials science and engineering. This review surveys recent developments in mesoscale and atomistic Monte Carlo simulation based on statistical mechanics. Fundamentals of simulation techniques and dynamical and topological behaviors of microstructural evolutions are described. The simulation of grain growth based on Potts' model is described as an mesoscale simulation example. Kinetics of interface migration can be traced by flipping of spin variables. Scaling behaviors of domain structure are given by cluster analysis method. As an atomistic scale simulation example, the ordering of f.c.c. to L12 structure in Ni base alloy is introduced. Ordering kinetics is controlled by a direct exchange of neighbouring single atoms. The ordering kinetics, the temporal evolution of atomic arrangement, the site occupancy of alloying elements are predicted by the model.

AB - The Monte Carlo simulation method is now widely applied to materials science and engineering. This review surveys recent developments in mesoscale and atomistic Monte Carlo simulation based on statistical mechanics. Fundamentals of simulation techniques and dynamical and topological behaviors of microstructural evolutions are described. The simulation of grain growth based on Potts' model is described as an mesoscale simulation example. Kinetics of interface migration can be traced by flipping of spin variables. Scaling behaviors of domain structure are given by cluster analysis method. As an atomistic scale simulation example, the ordering of f.c.c. to L12 structure in Ni base alloy is introduced. Ordering kinetics is controlled by a direct exchange of neighbouring single atoms. The ordering kinetics, the temporal evolution of atomic arrangement, the site occupancy of alloying elements are predicted by the model.

KW - Metals

KW - Microstructural evolutions

KW - Monte Carlo simulation method

KW - Statistical mechanics

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M3 - Article

AN - SCOPUS:0031073119

VL - 223

SP - 114

EP - 124

JO - Materials Science & Engineering A: Structural Materials: Properties, Microstructure and Processing

JF - Materials Science & Engineering A: Structural Materials: Properties, Microstructure and Processing

SN - 0921-5093

IS - 1-2

ER -