Molecular-dynamics simulation of structural and thermodynamic properties of boron nitride

被引：108

作者：

Sekkal, W ^{[1
]}

Bouhafs, B

Aourag, H

Certier, M

机构：

[1] Univ Djillali Liabes Sidi Bel Abbes, Dept Phys, Computat Mat Sci Lab, Algiers 22000, Algeria

[2] IUT Mesures Phys, LSOM, F-57078 Metz 3, France

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1998年 / 10卷 / 23期

关键词：

D O I：

10.1088/0953-8984/10/23/006

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Structural and thermodynamic properties of cubic boron nitride (c-BN) under pressure and for varying temperature are studied by molecular-dynamics (MD) simulation with the use of a well-tested Tersoff potential. Various physical quantities including the thermal expansion coefficient and heat capacity are predicted. Our simulation is extended to study liquid boron nitride at various densities.

引用

页码：4975 / 4984

页数：10

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