Thermodynamic consistency and fast dynamics in phase-field crystal modeling
Thermodynamic consistency and fast dynamics in phase-field crystal modeling
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DOI：
10.1080/09500839.2012.691215
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发表时间：
2008-07
影响因子：
1.2
通讯作者：
M. Cheng;J. Kundin;D. Li;H. Emmerich
中科院分区：
文献类型：
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作者：
M. Cheng;J. Kundin;D. Li;H. Emmerich
给出了一种推导运动方程的一般公式，并证明了几种相场（PF）和相场晶体（PFC）模型的热力学一致性。它可以应用于具有守恒和非守恒相场变量的模型，描述局部均匀或周期稳定状态，并包含慢速和快速热力学变量。该方法基于先前在局部均匀状态的PF模型背景下开发的熵函数形式。Galenko和d.j ou，物理学家。Rev. E 71 (2005) p.046125]，从而允许将后者的几个性质扩展到周期状态的PF模型，即PFC模型。
A general formulation is presented to derive the equation of motion and demonstrate thermodynamic consistency for several classes of phase-field (PF) and PF crystal (PFC) models. It can be applied to models with a conserved and non-conserved phase-field variable, describing either locally uniform or periodic stable states, and containing slow as well as fast thermodynamic variables. The approach is based on an entropy functional formalism previously developed in the context of PF models for locally uniform states [P. Galenko and D. Jou, Phys. Rev. E 71 (2005) p.046125] and thus allows to extend several properties of the latter to PF models for periodic states, i.e., PFC models.