arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 0809.1495cond-mat.stat-mechcond-mat.mtrl-sci
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具有内自由度的多组分系统的广义格子模型。I.一般性审议

Generalized Lattice Model of Multi-Component Systems with Internal Degrees of Freedom. I. General consideration

A. Yu. Zakharov, M. I. Bichurin

摘要:

本文是对多组分体系常用格点模型的推广。概括起来考虑了以下因素:1.原子间排斥的短程部分。这些排斥对于不同的原子对是不相同的,因此不可能通过通常的理想晶格引入来考虑排斥。2.在有效场近似下考虑了原子间长程相互作用势。3.原子间相互作用势的存在取决于某些内部自由度,如原子的电动量和/或磁动量。将广义晶格模型中的Helmholtz自由能泛函约化为Ginzburg-Landau-Cahn-Hilliard-like(GLCH)形式。得到了类GLCH泛函参数与原子间相互作用势特性之间的关系。导出了多组分体系中组分的完全平衡和部分平衡分布方程。

英文摘要:

The paper contains the generalization of usual lattice model of multicomponent systems. The generalization is related to account the following factors: 1. The short-range parts of interatomic repulsions. These repulsions are not identical for different pairs of atoms, therefore it is impossible to take into account the repulsions by means of usual ideal lattice introduction. 2. The long-range interatomic potentials take into account by means of effective fields approximation. 3. The presence the interatomic potentials depending on some inner degrees of freedoms such as atomic electric and/or magnetic momentum. The Helmholtz free energy functional in the generalized lattice model is reduced to the Ginzburg-Landau-Cahn-Hilliard-like (GLCH) form. The connection between the interatomic potentials characteristics and the parameters of the GLCH-like functional is obtained. The equations for both full and partial equilibrium distributions of the species in multicomponent systems are derived.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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