Publication result detail

Stability of FCC crystals under hydrostatic loading

ČERNÝ, M.; POKLUDA, J.

Original Title

Stability of FCC crystals under hydrostatic loading

English Title

Stability of FCC crystals under hydrostatic loading

Type

Peer-reviewed article not indexed in WoS or Scopus

Original Abstract

Elastic moduli of three perfect fcc crystals (Al, Cu, Ag) are calculated via ab initio study of the energy changes under an hydrostatic strain imposed to the crystal system. Stability conditions for the system are expressed in terms of the computed elastic moduli (the bulk modulus, tetragonal and trigonal shear moduli) and system stability is analyzed along whole deformation path from the minimum up to the inflection point of the dependence of the total energy on the volume. Theoretical tensile strength under hydrostatic loading is evaluated as a stress at the first onset of instability. The calculated values of the elastic moduli and the equilibrium lattice parameters agree well with available experimental data.

English abstract

Elastic moduli of three perfect fcc crystals (Al, Cu, Ag) are calculated via ab initio study of the energy changes under an hydrostatic strain imposed to the crystal system. Stability conditions for the system are expressed in terms of the computed elastic moduli (the bulk modulus, tetragonal and trigonal shear moduli) and system stability is analyzed along whole deformation path from the minimum up to the inflection point of the dependence of the total energy on the volume. Theoretical tensile strength under hydrostatic loading is evaluated as a stress at the first onset of instability. The calculated values of the elastic moduli and the equilibrium lattice parameters agree well with available experimental data.

Keywords

Metals; Crystal structure and symmetry; Elasticity; Strain; High pressure

Key words in English

Metals; Crystal structure and symmetry; Elasticity; Strain; High pressure

Authors

ČERNÝ, M.; POKLUDA, J.

RIV year

2011

Released

01.01.2004

ISBN

0925-8388

Periodical

Journal of Alloys and Compounds

Volume

378

Number

1-2

State

Swiss Confederation

Pages from

159

Pages to

162

Pages count

4

BibTex

@article{BUT42330,
  author="Miroslav {Černý} and Jaroslav {Pokluda}",
  title="Stability of FCC crystals under hydrostatic loading",
  journal="Journal of Alloys and Compounds",
  year="2004",
  volume="378",
  number="1-2",
  pages="159--162",
  issn="0925-8388"
}