Detail publikace
Ab initio Calculations of Theoretical Strength and Phase Stability in Copper
ČERNÝ, M. ŠOB, M. ŠANDERA, P.
Anglický název
Ab initio Calculations of Theoretical Strength and Phase Stability in Copper
Typ
Stať ve sborníku v databázi WoS či Scopus
Jazyk
en
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.
Klíčová slova anglicky
ideal strength
Vydáno
2001-01-01
Nakladatel
ÚMI FSI VUT
Místo
Brno
ISBN
80-214-1885-0
Kniha
Juniormat 01
Strany od–do
150–
Počet stran
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"
}