Publication detail

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

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

Original Title

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

Type

journal article - other

Language

English

Original Abstract

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.

Keywords

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

Authors

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

RIV year

2004

Released

6. 2. 2004

ISBN

0953-8984

Periodical

Journal of Physics: Condensed Matter

Year of study

16

Number

2

State

United Kingdom of Great Britain and Northern Ireland

Pages from

1045

Pages to

1052

Pages count

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"
}