Molecular Dynamics simulations on devitrification

被引：0

作者：

Silva, MAP ^{[1
]}

Monteil, A ^{[1
]}

Messaddeq, Y ^{[1
]}

Ribeiro, SJL ^{[1
]}

机构：

[1] Univ Angers, UMR CNRS 6136, POMA, F-49045 Angers, France

来源：

XIIITH INTERNATIONAL SYMPOSIUM ON NON-OXIDE GLASSES AND NEW OPTICAL GLASSES PTS 1 AND 2 | 2002年

关键词：

D O I：

暂无

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：

In this work Molecular Dynamics (MD) simulations were performed to reproduce the kinetic and thermodynamic transformations occurring during melt crystallization, vitrification and glass crystallization (devitrification) of PbF2. Two potential parameters were previoulsy analysed in order to access the possibility of modelling these properties and thermodynamic properties were well reproduced by one of them, while the other revealed well addapted to simulate the crystalline structure of this fluoride. By a modelled non-isothermal heat treatment of the glass, it was obtained the devitrification of a cubic structure in which the Pb-Pb distances are in good agreement with theory and experiment.

引用

页码：431 / 434

页数：4

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