The Monte Carlo simulation of microstructural evolution in metals

Y. Saito

Research output: Contribution to journalArticle

33 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)114-124
Number of pages11
JournalMaterials Science and Engineering A
Volume223
Issue number1-2
Publication statusPublished - 1997 Feb 28

Fingerprint

Microstructural evolution
Metals
Kinetics
Potts model
metals
Statistical mechanics
simulation
Cluster analysis
Materials science
Alloying elements
Grain growth
Ion exchange
kinetics
Atoms
cluster analysis
materials science
statistical mechanics
alloying
Monte Carlo simulation
engineering

Keywords

  • Metals
  • Microstructural evolutions
  • Monte Carlo simulation method
  • Statistical mechanics

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

The Monte Carlo simulation of microstructural evolution in metals. / Saito, Y.

In: Materials Science and Engineering A, Vol. 223, No. 1-2, 28.02.1997, p. 114-124.

Research output: Contribution to journalArticle

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