### 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 L1_{2} 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 language | English |
---|---|

Pages (from-to) | 114-124 |

Number of pages | 11 |

Journal | Materials Science and Engineering A |

Volume | 223 |

Issue number | 1-2 |

Publication status | Published - 1997 Feb 28 |

### Fingerprint

### Keywords

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

### ASJC Scopus subject areas

- Materials Science(all)

### Cite this

*Materials Science and Engineering A*,

*223*(1-2), 114-124.

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

Research output: Contribution to journal › Article

*Materials Science and Engineering A*, vol. 223, no. 1-2, pp. 114-124.

}

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

UR - http://www.scopus.com/inward/record.url?scp=0031073119&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0031073119&partnerID=8YFLogxK

M3 - Article

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 -