MOLECULAR-DYNAMICS SIMULATION OF STRUCTURAL AND THERMODYNAMIC PROPERTIES OF BORON-NITRIDE

Authors
SEKKAL W BOUHAFS B AOURAG H CERTIER M
Citation
W. Sekkal et al., MOLECULAR-DYNAMICS SIMULATION OF STRUCTURAL AND THERMODYNAMIC PROPERTIES OF BORON-NITRIDE, Journal of physics. Condensed matter, 10(23), 1998, pp. 4975-4984
Citations number
44
Categorie Soggetti
Physics, Condensed Matter
Journal title
Journal of physics. Condensed matter → ACNP
ISSN journal
09538984
Volume
10
Issue
23
Year of publication
1998
Pages
4975 - 4984
Database
ISI
SICI code
0953-8984(1998)10:23<4975:MSOSAT>2.0.ZU;2-9
Abstract
Structural and thermodynamic properties of cubic boron nitride (c-BN) under pressure and for varying temperature are studied by molecular-dy namics (MD) simulation with the use of a well-tested Tersoff potential . Various physical quantities including the thermal expansion coeffici ent and heat capacity are predicted. Our simulation is extended to stu dy liquid boron nitride at various densities.