Detail publikačního výsledku

Ab initio Calculations of Theoretical Strength and Phase Stability in Copper

ČERNÝ, M.; ŠOB, M.; ŠANDERA, P.

Originální název

Ab initio Calculations of Theoretical Strength and Phase Stability in Copper

Anglický název

Ab initio Calculations of Theoretical Strength and Phase Stability in Copper

Druh

Stať ve sborníku v databázi WoS či Scopus

Originální abstrakt

Simulation of tensile test of copper crystal along (001) is performed using ab initio full-potential linear augmented plane waves (FLAPW) method. Both the local density approximation (LDA) and the generalized gradient approximation (GGA) are used to evaluate exchange-correlation contribution to the total energy. The equilibrium lattice parameter as well as the Young modulus are computed to assess the reliability of our results by comparing them with the experiment. Stability conditions for uniaxially loaded system are presented and analyzed. Finally, the ideal strength of copper for (001) uniaxial loading is calculated.

Anglický abstrakt

Simulation of tensile test of copper crystal along (001) is performed using ab initio full-potential linear augmented plane waves (FLAPW) method. Both the local density approximation (LDA) and the generalized gradient approximation (GGA) are used to evaluate exchange-correlation contribution to the total energy. The equilibrium lattice parameter as well as the Young modulus are computed to assess the reliability of our results by comparing them with the experiment. Stability conditions for uniaxially loaded system are presented and analyzed. Finally, the ideal strength of copper for (001) uniaxial loading is calculated.

Klíčová slova

ideal strength

Klíčová slova v angličtině

ideal strength

Autoři

ČERNÝ, M.; ŠOB, M.; ŠANDERA, P.

Vydáno

01.01.2001

Nakladatel

ÚMI FSI VUT

Místo

Brno

ISBN

80-214-1885-0

Kniha

Juniormat 01

Strany od

150

Strany počet

2

BibTex

@inproceedings{BUT2915,
  author="Miroslav {Černý} and Mojmír {Šob} and Pavel {Šandera}",
  title="Ab initio Calculations of Theoretical Strength and Phase Stability in Copper",
  booktitle="Juniormat 01",
  year="2001",
  pages="2",
  publisher="ÚMI FSI VUT",
  address="Brno",
  isbn="80-214-1885-0"
}