Detail publikačního výsledku

Stability of FCC crystals under hydrostatic loading

ČERNÝ, M.; POKLUDA, J.

Originální název

Stability of FCC crystals under hydrostatic loading

Anglický název

Stability of FCC crystals under hydrostatic loading

Druh

Článek recenzovaný mimo WoS a Scopus

Originální abstrakt

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.

Anglický abstrakt

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.

Klíčová slova

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

Klíčová slova v angličtině

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

Autoři

ČERNÝ, M.; POKLUDA, J.

Rok RIV

2011

Vydáno

01.01.2004

ISSN

0925-8388

Periodikum

Journal of Alloys and Compounds

Svazek

378

Číslo

1-2

Stát

Švýcarská konfederace

Strany od

159

Strany do

162

Strany počet

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"
}