Publication detail

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

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

English title

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

Type

Peer-reviewed article not indexed in WoS or Scopus

Language

en

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 in English

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

Released

2004-02-06

ISSN

0953-8984

Journal

JOURNAL OF PHYSICS-CONDENSED MATTER

Volume

16

Number

2

Pages from–to

1045–

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"
}