Detail publikace

Ab initio calculations of ideal tensile strength and mechanical stability in copper

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

Originální název

Ab initio calculations of ideal tensile strength and mechanical stability in copper

Typ

článek v časopise - ostatní, Jost

Jazyk

angličtina

Originální abstrakt

Simulation of a tensile test of~copper crystal along the [001] direction is performed using the Vienna ab initio simulation package (VASP). Stability conditions for uniaxially loaded system are presented and analysed and the ideal (theoretical) tensile strength for the loading along the [001] direction is determined to be 9.4 GPa in tension and 3.5 GPa in compression. A comparison with experimental values is performed.

Klíčová slova

ab initio, elastic stability, theoretical strength, copper, uniaxial loading

Autoři

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

Rok RIV

2004

Vydáno

6. 2. 2004

ISSN

0953-8984

Periodikum

Journal of Physics: Condensed Matter

Ročník

16

Číslo

2

Stát

Spojené království Velké Británie a Severního Irska

Strany od

1045

Strany do

1052

Strany počet

8

BibTex

@article{BUT42029,
  author="Miroslav {Černý} and Mojmír {Šob} and Jaroslav {Pokluda} and Pavel {Šandera}",
  title="Ab initio calculations of ideal tensile strength and mechanical stability in copper",
  journal="Journal of Physics: Condensed Matter",
  year="2004",
  volume="16",
  number="2",
  pages="8",
  issn="0953-8984"
}