Independence of grain boundary mobility and driving force for square-lattice Monte Carlo models

被引:6
|
作者
Zhang, Liangzhe [1 ]
Bartel, Timothy [2 ]
Lusk, Mark T. [1 ]
机构
[1] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA
[2] Sandia Natl Labs, Albuquerque, NM 87185 USA
基金
美国能源部; 美国国家科学基金会;
关键词
Monte Carlo; Grain boundary mobility; Driving force; Ising; Surface energy; TEMPERATURE; MIGRATION; KINETICS; TENSION; PROFILE; SHAPE;
D O I
10.1016/j.commatsci.2010.03.034
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Computational experiments are used to show that grain boundary (GB) mobility is independent of driving force for a two-dimensional, square-lattice Ising model with Metropolis kinetics. This is established over the entire Monte Carlo (MC) temperature range. A calibration methodology is also provided which endows the MC algorithm with time and length scales and expresses the MC parameters in terms of experimentally measurable quantities. These links are used to verify that the square-lattice MC paradigm delivers the desired sharp-interface grain boundary kinetics over a wide range of mixed driving forces and MC temperatures using a single mobility function. (C) 2010 Elsevier B.V. All rights reserved.
引用
收藏
页码:790 / 795
页数:6
相关论文
共 34 条
  • [1] Statistical analysis of grain boundary mobility in Al simulated using a modified synthetic driving force molecular dynamics method
    Yang, Liang
    Lai, Chunming
    Li, Saiyi
    MATERIALS LETTERS, 2018, 227 : 90 - 92
  • [2] Antiferromagnetic Potts Models on the Square Lattice: A High-Precision Monte Carlo Study
    Sabino José Ferreira
    Alan D. Sokal
    Journal of Statistical Physics, 1999, 96 : 461 - 530
  • [3] Antiferromagnetic potts models on the square lattice: A high-precision Monte Carlo study
    Ferreira, SJ
    Sokal, AD
    JOURNAL OF STATISTICAL PHYSICS, 1999, 96 (3-4) : 461 - 530
  • [4] Thermal tensor renormalization group simulations of square-lattice quantum spin models
    Li, Han
    Chen, Bin-Bin
    Chen, Ziyu
    von Delft, Jan
    Weichselbaum, Andreas
    Li, Wei
    PHYSICAL REVIEW B, 2019, 100 (04)
  • [5] Grain boundary energy and curvature in Monte Carlo and cellular automata simulations of grain boundary motion
    Mason, J. K.
    ACTA MATERIALIA, 2015, 94 : 162 - 171
  • [6] Grain boundary mobility under a stored-energy driving force: a comparison to curvature-driven boundary migration
    Taheri, ML
    Molodov, D
    Gottstein, G
    Rollett, AD
    ZEITSCHRIFT FUR METALLKUNDE, 2005, 96 (10): : 1166 - 1170
  • [7] Molecular dynamics simulations of grain boundary mobility in Al, Cu and γ-Fe using a symmetrical driving force
    Ulomek, F.
    Mohles, V.
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2014, 22 (05)
  • [8] An off-lattice kinetic Monte Carlo investigation of the kinetic properties of the Σ5(210) grain boundary in copper
    Alexander, K. C.
    Schuh, C. A.
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2019, 27 (07)
  • [9] Efficient calculation of the ECO driving force for atomistic simulations of grain boundary motion
    Schratt, Adrian A.
    Mohles, V
    COMPUTATIONAL MATERIALS SCIENCE, 2020, 182
  • [10] A Monte Carlo approach for the kinetics of grain boundary segregation and grain growth in binary alloys
    Liu, JM
    Liu, ZG
    MATERIALS LETTERS, 1997, 32 (2-3) : 67 - 72