Publication detail

Ab-initio Calculations of Ideal Strength of Cubic Crystals

ČERNÝ, M. ŠANDERA, P.

Original Title

Ab-initio Calculations of Ideal Strength of Cubic Crystals

Type

conference paper

Language

English

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

ab initio calculations, ideal strength, cubic crystals

Authors

ČERNÝ, M.; ŠANDERA, P.

Released

1. 1. 1999

Publisher

MATFYZPRESS

Location

Praha

ISBN

80-85863-46-4

Book

WDS'99 Proceedings of Contributed Papers

Edition number

1

Pages from

428

Pages to

432

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"
}