Detail publikace

Ab-initio Calculations of Ideal Strength of Cubic Crystals

ČERNÝ, M. ŠANDERA, P.

Originální název

Ab-initio Calculations of Ideal Strength of Cubic Crystals

Typ

článek ve sborníku ve WoS nebo Scopus

Jazyk

angličtina

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.

Klíčová slova

ab initio calculations, ideal strength, cubic crystals

Autoři

ČERNÝ, M.; ŠANDERA, P.

Vydáno

1. 1. 1999

Nakladatel

MATFYZPRESS

Místo

Praha

ISBN

80-85863-46-4

Kniha

WDS'99 Proceedings of Contributed Papers

Číslo edice

1

Strany od

428

Strany do

432

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"
}