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Mobility inference of the Cahn-Hilliard equation from a model experiment

机译:模型实验中CAHN-HILLIARD方程的移动推理

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摘要

A challenge in phase field modeling of phase-separating binary systems using the Cahn-Hilliard equation (CHE) is the determination of the mobility coefficient, which controls the kinetics of order parameter evolution. This work presents numerical simulations to assess the feasibility of determining mobility in the CHE from a notional, model experiment. The qualitative behavior of these simulations differentiates between a mobility that is uniform throughout the system and one that is restricted only to phase interfaces. Moreover, quantitative analysis of the proposed model experiment permits inference of the product of mobility and the coefficient of the uniform-free energy term as well the characteristic length of the CHE. If the free energy coefficient is determined by other means (e.g., form thermodynamic or atomistic models), then the mobility may be calculated, as well.
机译:使用CAHN-HILLIARD等式(CHE)的相位分离二元系统的相场模型中的挑战是迁移系数的确定,其控制订单参数演进的动力学。 这项工作提出了数值模拟,以评估从一个名义的模型实验中确定Che中的移动性的可行性。 这些仿真的定性行为在整个系统中均匀的移动性区分,其中仅限于相位接口。 此外,所提出的模型实验的定量分析允许迁移率的产品和均匀的无能量术语的系数推断,以及Che的特征长度。 如果自由能量系数由其他方式确定(例如,形成热力学或原子模型),则也可以计算迁移率。

著录项

  • 来源
    《Journal of Materials Research》 |2021年第13期|2830-2842|共13页
  • 作者单位

    Department of Materials Science and Engineering Texas A&M University College Station TX 77843 USA;

    Department of Materials Science and Engineering Texas A&M University College Station TX 77843 USA;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
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