Publication detail
Ab-initio Calculations of Ideal Strength of Cubic Crystals
ČERNÝ, M. ŠANDERA, P.
English title
Ab-initio Calculations of Ideal Strength of Cubic Crystals
Type
Paper in proceedings (conference paper)
Language
en
Original abstract
Ab initio calculations of ideal strength of cubic crystals under three-axial tension are performed using the LMTO-ASA method. Computed values are compared with those obtained previously by means of semi-empirical approach. Values of equilibrium lattice parameter obtained in the framework of ab-initio method are well comparable with experimental data whereas a less satisfactory agreement was achieved in case of bulk moduli and cohesive energy.
Keywords in English
ab initio calculations, ideal strength, cubic crystals
Released
1999-01-01
Publisher
MATFYZPRESS
Location
Praha
ISBN
80-85863-46-4
Book
WDS'99 Proceedings of Contributed Papers
Pages from–to
428–
Pages count
5
BIBTEX
@inproceedings{BUT3217,
author="Miroslav {Černý} and Pavel {Šandera}",
title="Ab-initio Calculations of Ideal Strength of Cubic Crystals",
booktitle="WDS'99 Proceedings of Contributed Papers",
year="1999",
number="1",
pages="5",
publisher="MATFYZPRESS",
address="Praha",
isbn="80-85863-46-4"
}