Publication detail

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

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

Czech title

Ab initio výpočty ideální tahové pevnosti a mechanické stability mědi

English title

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

Type

journal article - other

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.

Czech abstract

Simulace tahové zkoušky krystalu mědi ve směru [001] je provedena užitím "Vienna ab initio simulation package" (VASP). Jsou uvedeny a analyzovány podmínky stability pro jednoose zatíženou soustavu a je určena ideální (teoretická) pevnost pro zatížení ve směru [001] o velikosti 9.4 GPa v tahu a 3.5 GPa v tlaku. Získané výsledky jsou porovnány s experimentálními.

English 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

RIV year

2004

Released

06.02.2004

ISSN

0953-8984

Journal

Journal of Physics: Condensed Matter

Volume

16

Number

2

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",
  month="February",
  issn="0953-8984"
}