Detail publikace

Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading

ŘEHÁK, P. ČERNÝ, M. ŠOB, M.

Originální název

Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading

Typ

článek v časopise ve Web of Science, Jimp

Jazyk

angličtina

Originální abstrakt

Two fcc crystals, Ni and Ir, are subjected to simulated isotropic and uniaxial tension along the 100 direction. Their structural stability is assessed by analyzing phonon spectra that are calculated from first principles for different values of strain. A relevant analysis of elastic stability conditions is also performed. Predicted elastic instabilities correspond well to those associated with soft phonons with vanishing wavevectors. Although most of previous studies predicted that first instabilities in crystals correspond to macroscopic (elastic) instabilities, we found soft phonons of finite wavevectors at lower strains (and stresses) during both considered loadings in the crystal of Ir. Predicted instabilities were confirmed by our models of microscopic deformation.

Klíčová slova

ab initio calculations, elastic stability, phonon instability, theoretical strength, hydrostatic loading, uniaxial loading

Autoři

ŘEHÁK, P.; ČERNÝ, M.; ŠOB, M.

Rok RIV

2015

Vydáno

28. 5. 2015

Nakladatel

IOP Publishing Ltd.

Místo

Bristol

ISSN

0965-0393

Periodikum

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Ročník

23

Číslo

5

Stát

Spojené království Velké Británie a Severního Irska

Strany od

1

Strany do

10

Strany počet

10

URL

http://iopscience.iop.org/0965-0393/23/5/055010/article?fromSearchPage=true

BibTex

@article{BUT114652,
  author="Petr {Řehák} and Miroslav {Černý} and Mojmír {Šob}",
  title="Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading",
  journal="MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING",
  year="2015",
  volume="23",
  number="5",
  pages="1--10",
  doi="10.1088/0965-0393/23/5/055010",
  issn="0965-0393",
  url="http://iopscience.iop.org/0965-0393/23/5/055010/article?fromSearchPage=true"
}