Detail publikace

Mechanická stabilita: diamant jako případová studie

ŘEHÁK, P. ČERNÝ, M.

Český název

Mechanická stabilita: diamant jako případová studie

Anglický název

Mechanical stability: diamond as a case study

Typ

článek ve sborníku ve WoS nebo Scopus

Jazyk

cs

Originální abstrakt

Theoretical tensile strength under isotropic (hydrostatic) loading of diamond crystal is evaluated as a stress at the onset of dynamical instability in the lattice. In this paper, the mechanical stability is assessed by using phonon spectra and stability criteria that are based on calculation of elastic constants. The pseudopotential plane wave code Abinit, based on the density functional theory, is used for this purpose. Dynamical matrices that are used to construct dispersion curves are calculated by means of supercell method.

Český abstrakt

Theoretical tensile strength under isotropic (hydrostatic) loading of diamond crystal is evaluated as a stress at the onset of dynamical instability in the lattice. In this paper, the mechanical stability is assessed by using phonon spectra and stability criteria that are based on calculation of elastic constants. The pseudopotential plane wave code Abinit, based on the density functional theory, is used for this purpose. Dynamical matrices that are used to construct dispersion curves are calculated by means of supercell method.

Anglický abstrakt

Theoretical tensile strength under isotropic (hydrostatic) loading of diamond crystal is evaluated as a stress at the onset of dynamical instability in the lattice. In this paper, the mechanical stability is assessed by using phonon spectra and stability criteria that are based on calculation of elastic constants. The pseudopotential plane wave code Abinit, based on the density functional theory, is used for this purpose. Dynamical matrices that are used to construct dispersion curves are calculated by means of supercell method.

Klíčová slova česky

Theoretical tensile strength, ab initio, diamond

Klíčová slova anglicky

Theoretical tensile strength, ab initio, diamond

Rok RIV

2012

Vydáno

29.11.2012

Místo

Brno

ISBN

9788087434062

Kniha

Víceúrovňový design pokrokových materiálů

Číslo edice

1

Strany od–do

9–16

Počet stran

8

BIBTEX


@inproceedings{BUT95510,
  author="Petr {Řehák} and Miroslav {Černý},
  title="Mechanická stabilita: diamant jako případová studie",
  booktitle="Víceúrovňový design pokrokových materiálů",
  year="2012",
  month="November",
  pages="9--16",
  address="Brno",
  isbn="9788087434062"
}