Detail publikačního výsledku

Ab-initio Calculations of Ideal Strength of Cubic Crystals

ČERNÝ, M.; ŠANDERA, P.

Originální název

Ab-initio Calculations of Ideal Strength of Cubic Crystals

Anglický název

Ab-initio Calculations of Ideal Strength of Cubic Crystals

Druh

Stať ve sborníku v databázi WoS či Scopus

Originální abstrakt

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.

Anglický abstrakt

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.

Klíčová slova

ab initio calculations, ideal strength, cubic crystals

Klíčová slova v angličtině

ab initio calculations, ideal strength, cubic crystals

Autoři

ČERNÝ, M.; ŠANDERA, P.

Vydáno

01.01.1999

Nakladatel

MATFYZPRESS

Místo

Praha

ISBN

80-85863-46-4

Kniha

WDS'99 Proceedings of Contributed Papers

Strany od

428

Strany počet

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"
}