Using kinetic Monte Carlo simulations to study phase separation in alloys

Richard Weinkamer; Peter Fratzl; Himadri S. Gupta; Oliver Penrose; Joel L. Lebowitz

doi:10.1080/01411590410001672639

Using kinetic Monte Carlo simulations to study phase separation in alloys

Richard Weinkamer, Peter Fratzl, Himadri S. Gupta, Oliver Penrose, Joel L. Lebowitz

Research output: Contribution to journal › Literature review › peer-review

29 Citations (Scopus)

Abstract

We review recent extensions of the kinetic Ising model used to investigate phase separation in binary alloys. Firstly, vacancies are included to model the diffusion of the atoms on the microscopic scale more realistically. These can change the coarsening rate and the coarsening mechanism. Secondly, the lattice is allowed to deform owing to the different sizes of the atoms and the resulting misfit between precipitates and matrix. The deformability of the lattice induces long-range elastic interactions between the atoms. These change the shape, orientation, and arrangement of the precipitates. The growth of the precipitates need not follow the R(t) a t^1/3 law.

Original language	English
Pages (from-to)	433-456
Number of pages	24
Journal	Phase Transitions
Volume	77
Issue number	5-7
DOIs	https://doi.org/10.1080/01411590410001672639
Publication status	Published - May 2004

Keywords

Elastic interactions
Kinetic Ising model
Monte Carlo simulation
Phase separation
Rafting
Vacancy

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10.1080/01411590410001672639

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title = "Using kinetic Monte Carlo simulations to study phase separation in alloys",

abstract = "We review recent extensions of the kinetic Ising model used to investigate phase separation in binary alloys. Firstly, vacancies are included to model the diffusion of the atoms on the microscopic scale more realistically. These can change the coarsening rate and the coarsening mechanism. Secondly, the lattice is allowed to deform owing to the different sizes of the atoms and the resulting misfit between precipitates and matrix. The deformability of the lattice induces long-range elastic interactions between the atoms. These change the shape, orientation, and arrangement of the precipitates. The growth of the precipitates need not follow the R(t) a t1/3 law.",

keywords = "Elastic interactions, Kinetic Ising model, Monte Carlo simulation, Phase separation, Rafting, Vacancy",

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T1 - Using kinetic Monte Carlo simulations to study phase separation in alloys

AU - Weinkamer, Richard

AU - Fratzl, Peter

AU - Gupta, Himadri S.

AU - Penrose, Oliver

AU - Lebowitz, Joel L.

PY - 2004/5

Y1 - 2004/5

N2 - We review recent extensions of the kinetic Ising model used to investigate phase separation in binary alloys. Firstly, vacancies are included to model the diffusion of the atoms on the microscopic scale more realistically. These can change the coarsening rate and the coarsening mechanism. Secondly, the lattice is allowed to deform owing to the different sizes of the atoms and the resulting misfit between precipitates and matrix. The deformability of the lattice induces long-range elastic interactions between the atoms. These change the shape, orientation, and arrangement of the precipitates. The growth of the precipitates need not follow the R(t) a t1/3 law.

AB - We review recent extensions of the kinetic Ising model used to investigate phase separation in binary alloys. Firstly, vacancies are included to model the diffusion of the atoms on the microscopic scale more realistically. These can change the coarsening rate and the coarsening mechanism. Secondly, the lattice is allowed to deform owing to the different sizes of the atoms and the resulting misfit between precipitates and matrix. The deformability of the lattice induces long-range elastic interactions between the atoms. These change the shape, orientation, and arrangement of the precipitates. The growth of the precipitates need not follow the R(t) a t1/3 law.

KW - Elastic interactions

KW - Kinetic Ising model

KW - Monte Carlo simulation

KW - Phase separation

KW - Rafting

KW - Vacancy

U2 - 10.1080/01411590410001672639

DO - 10.1080/01411590410001672639

M3 - Literature review

SN - 0141-1594

VL - 77

SP - 433

EP - 456

JO - Phase Transitions

JF - Phase Transitions

IS - 5-7

ER -

Using kinetic Monte Carlo simulations to study phase separation in alloys

Abstract

Keywords

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