Detail publikace

Ab initio Calculations of Theoretical Strength of Copper under Uniaxial Tension

ČERNÝ, M. ŠOB, M. ŠANDERA, P. POKLUDA, J.

Originální název

Ab initio Calculations of Theoretical Strength of Copper under Uniaxial Tension

Typ

abstrakt

Jazyk

angličtina

Originální abstrakt

Ideal strength of copper based on simulation of tensile test along [001] direction is performed using ab-initio full-potential linear augmented plane waves (FLAPW) method. Both the local density approximation (LDA) and generalized gradient approximation (GGA) were used to evaluate exchange-correlation contribution to the total energy. Equilibrium lattice parameter and Young modulus are computed to asses reliability of our results by comparing them with experiment. Stability conditions for uniaxialy loaded system are presented and analysed.

Klíčová slova

Ab initio calculations, Theoretical strength, Uniaxial tension, copper.

Autoři

ČERNÝ, M.; ŠOB, M.; ŠANDERA, P.; POKLUDA, J.

Vydáno

1. 1. 2002

ISSN

0003-0503

Periodikum

Bulletin of the American Physical Society

Ročník

47

Číslo

1

Stát

Spojené státy americké

Strany od

183

Strany do

183

Strany počet

1

BibTex

@misc{BUT60142,
  author="Miroslav {Černý} and Mojmír {Šob} and Pavel {Šandera} and Jaroslav {Pokluda}",
  title="Ab initio Calculations of Theoretical Strength of Copper under Uniaxial Tension",
  year="2002",
  journal="Bulletin of the American Physical Society",
  volume="47",
  number="1",
  pages="1",
  issn="0003-0503",
  note="abstract"
}