Detail publikačního výsledku

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

ČERNÝ, M.; ŠANDERA, P.; POKLUDA, J.

Originální název

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

Anglický název

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

Druh

Článek recenzovaný mimo WoS a Scopus

Originální abstrakt

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.

Anglický abstrakt

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.

Klíčová slova

ab initio calculations, isotropic tension, strength

Klíčová slova v angličtině

ab initio calculations, isotropic tension, strength

Autoři

ČERNÝ, M.; ŠANDERA, P.; POKLUDA, J.

Vydáno

01.01.1999

ISSN

0011-4626

Periodikum

Czechoslovak Journal of Physics

Svazek

49

Číslo

10

Stát

Česká republika

Strany od

1495

Strany počet

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"
}