Publication detail

Mechanical stability: diamond as a case study

ŘEHÁK, P. ČERNÝ, M.

Czech title

Mechanická stabilita: diamant jako případová studie

English title

Mechanical stability: diamond as a case study

Type

conference paper

Language

cs

Original abstract

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.

Czech abstract

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.

English abstract

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.

Keywords in Czech

Theoretical tensile strength, ab initio, diamond

Keywords in English

Theoretical tensile strength, ab initio, diamond

RIV year

2012

Released

29.11.2012

Location

Brno

ISBN

9788087434062

Book

Víceúrovňový design pokrokových materiálů

Edition number

1

Pages from–to

9–16

Pages count

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"
}