Simulation of the molecular dynamics of the evolution of argon structural characteristics in the area of glass transition

被引：0

作者：

Tsydypov, Sh. B. ^{[1
]}

German, E. I. ^{[1
]}

Parfenov, V. N. ^{[1
]}

机构：

[1] Buryat State Univ, Ulan Ude 670000, Russia

来源：

GLASS PHYSICS AND CHEMISTRY | 2017年 / 43卷 / 01期

基金：

俄罗斯基础研究基金会;

关键词：

glass transition; molecular dynamics; sound velocity; radial distribution function; isochoric thermal capacity; isobaric thermal capacity; argon; VITRIFICATION; MODELS;

D O I：

10.1134/S1087659617010175

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The results of the simulation of the glass transition process of argon at cooling rates of 10(12), 10(13), 10(14), and 10(15) K/s are reported. At temperatures far below the melting point, T (f) = 83.8 K, the second maximum of the radial distribution function is split into two peaks, which is connected with the glass transition. In addition, the form of this split changes depending on the cooling rates, which points to different structural states of the system. The calculation of the sound velocity in argon by means of correlation functions gives rise to quite reasonable results in the gaseous, liquid, glass, and crystalline states, including the areas of phase transitions.

引用

页码：43 / 47

页数：5

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