Mobility inference of the Cahn–Hilliard equation from a model experiment
Mobility inference of the Cahn–Hilliard equation from a model experiment
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DOI：
10.1557/s43578-021-00266-7
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发表时间：
2021-06
影响因子：
2.7
通讯作者：
Zirui Mao;M. Demkowicz
中科院分区：
文献类型：
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作者：
Zirui Mao;M. Demkowicz
在相分离二元系统的相场建模中，使用Cahn-Hilliard方程（CHE）的一个挑战是迁移率系数的确定，它控制着序参数演化的动力学。这项工作提出了数值模拟，以评估确定流动性的CHE从一个概念，模型实验的可行性。这些模拟的定性行为区分了在整个系统中均匀的流动性和仅限于相界面的流动性。此外，定量分析所提出的模型实验允许推断的产品的流动性和系数的均匀自由能项，以及特征长度的CHE。如果自由能系数是通过其他方式确定的（例如，形成热力学或原子模型），则也可以计算迁移率。
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.