Molecular dynamics simulations of Ba1-xGdxF2+x solid solutions over a wide temperature range:: I.: Thermodynamic and transport properties

被引：3

作者：

Gotlib, IY ^{[1
]}

Murin, IV ^{[1
]}

Piotrovskaya, EM ^{[1
]}

Brodskaya, EN ^{[1
]}

机构：

[1] St Petersburg State Univ, Petrodvorets Branch, St Petersburg 198904, Russia

来源：

INORGANIC MATERIALS | 2001年 / 37卷 / 09期

关键词：

D O I：

10.1023/A:1011622520143

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The internal energy and transport properties of Ba1-xGdxF2+x solid solutions are investigated over a wide temperature range, including the superionic transition, by molecular dynamics simulations with Born-Mayer-Huggins pair potentials. The simulation results are in reasonable agreement with available experimental data.

引用

页码：975 / 978

页数：4

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