Publication result detail

Ab Initio Calculation of Ideal Strength for Cubic Crystals Under Three-axial Tension

ČERNÝ, M.; ŠANDERA, P.; POKLUDA, J.

Original Title

Ab Initio Calculation of Ideal Strength for Cubic Crystals Under Three-axial Tension

English Title

Ab Initio Calculation of Ideal Strength for Cubic Crystals Under Three-axial Tension

Type

Peer-reviewed article not indexed in WoS or Scopus

Original Abstract

Ab initio calculation of ideal strength of cubic crystals under three-axial tension was performed using the LMTO-ASA method. Computed values are in a good agreement with those obtained previously by means of semi-empirical polynomial 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.

English abstract

Ab initio calculation of ideal strength of cubic crystals under three-axial tension was performed using the LMTO-ASA method. Computed values are in a good agreement with those obtained previously by means of semi-empirical polynomial 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.

Keywords

ab initio calculations, isotropic tension, strength

Key words in English

ab initio calculations, isotropic tension, strength

Authors

ČERNÝ, M.; ŠANDERA, P.; POKLUDA, J.

Released

01.01.1999

ISBN

0011-4626

Periodical

Czechoslovak Journal of Physics

Volume

49

Number

10

State

Czech Republic

Pages from

1495

Pages count

7

BibTex

@article{BUT39942,
  author="Miroslav {Černý} and Pavel {Šandera} and Jaroslav {Pokluda}",
  title="Ab Initio Calculation of Ideal Strength for Cubic Crystals Under Three-axial Tension",
  journal="Czechoslovak Journal of Physics",
  year="1999",
  volume="49",
  number="10",
  pages="7",
  issn="0011-4626"
}