Detail publikace

Dynamic stability of fcc crystals under isotropic loading from first principles

ŘEHÁK, P. ČERNÝ, M. POKLUDA, J.

Originální název

Dynamic stability of fcc crystals under isotropic loading from first principles

Typ

článek v časopise ve Web of Science, Jimp

Jazyk

angličtina

Originální abstrakt

Lattice dynamics and stability of four fcc crystals (Al, Ir, Pt, and Au) under isotropic (hydrostatic) tensile loading is studied from first principles using the linear response method and the harmonic approximation. The results reveal that, contrary to former expectations, strengths of all the studied crystals are limited by instabilities related to soft phonons with finite or vanishing wave vectors. The critical strains associated with such instabilities are remarkably lower than those related to the volumetric instability. On the other hand, the corresponding reduction of the tensile strength is by 20\% at the most. An analysis of elastic stability conditions is also performed and the results obtained by means of both approaches are compared.

Klíčová slova

lattice dynamics, phonon instability, isotropic loading, ab initio calculations

Autoři

ŘEHÁK, P.; ČERNÝ, M.; POKLUDA, J.

Rok RIV

2012

Vydáno

30. 5. 2012

ISSN

0953-8984

Periodikum

Journal of Physics: Condensed Matter

Ročník

24

Číslo

21

Stát

Spojené království Velké Británie a Severního Irska

Strany od

215403

Strany do

215403

Strany počet

7

BibTex

@article{BUT90589,
  author="Petr {Řehák} and Miroslav {Černý} and Jaroslav {Pokluda}",
  title="Dynamic stability of fcc crystals under isotropic loading from first principles",
  journal="Journal of Physics: Condensed Matter",
  year="2012",
  volume="24",
  number="21",
  pages="215403--215403",
  doi="10.1088/0953-8984/24/21/215403",
  issn="0953-8984"
}