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Using Molecular Distribution Functions to Calculate the Structural Properties of Amorphous Solids
Bulletin of the Russian Academy of Sciences: Physics Pub Date : 2020-08-20 , DOI: 10.3103/s1062873820070035
Yu. V. Agrafonov , I. S. Petrushin

Abstract

A review is performed of theoretical ways of studying the molecular structure of liquids and amorphous solids, including transitions from one state to another. The literature data show there is no analytical solution to integral equations for partial distribution functions to describe the surface amorphization of a melt. An equation is proposed for analytically solving a system of hard spheres near a solid surface.


中文翻译:

使用分子分布函数计算非晶态固体的结构性质

摘要

对研究液体和无定形固体分子结构的理论方法进行了综述,包括从一种状态到另一种状态的转变。文献数据表明,对于描述熔体表面非晶化的部分分布函数的积分方程没有解析解。提出了一个方程,用于分析求解固体表面附近的硬球体系统。
更新日期:2020-08-20
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