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相场法中界面化学平衡的通用模型

A General Model of Interfacial Chemical Equilibrium in Phase-Field Method

Yanzhou Ji, Long-Qing Chen

arXiv 2607.24620首次发表:更新:

AI 中文总结

该研究提出相场法中多溶液相界面平衡新方法,用辅助非守恒变量描述成分差异,时间演化受化学扩散势差异驱动,可简化为两种模型,能直接纳入热力学数据库,适用于多种成分演化和化学平衡问题。

AI 中文摘要

我们报告了一种相场法中多溶液相界面平衡的新方法。它采用辅助非守恒变量描述不同相之间的成分差异,其时间演化由不同化学扩散势的差异驱动。在两种极限情况下,它可简化为界面化学成分相等的惠勒 - 博廷格 - 麦克法登(WBM)模型和界面化学扩散势相等的金 - 金 - 铃木(KKS)模型。它能直接纳入热力学数据库,无需进一步近似和简化。普遍适用于涉及成分演化和化学平衡的广泛问题,包括两个无共同成分范围的有序相之间的互扩散等现有WBM和KKS模型处理有困难的过程。

英文摘要

We report a new approach to interfacial equilibria among multiple solution phases in the phase-field method. It employs auxiliary non-conserved variables to describe the composition differences among different phases, and their temporal evolution is driven by the differences among different chemical diffusional potentials. It is reduced to the Wheeler-Boettinger-McFadden (WBM) model of equal interfacial chemical compositions and to the Kim-Kim-Suzuki (KKS) model of equal interfacial chemical diffusion potentials as two limiting cases. It can directly incorporate thermodynamic databases without any further approximations and simplifications. It is generally applicable to a wide range of problems involving composition evolution and chemical equilibria, including processes such as interdiffusion between two ordered phases not sharing any common composition range, which would pose difficulty to the existing treatments using WBM and KKS models.

论文原文

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