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ŘEHÁK, P. ČERNÝ, M. ŠOB, M.
Original Title
Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading
Type
journal article in Web of Science
Language
English
Original Abstract
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.
Keywords
ab initio calculations, elastic stability, phonon instability, theoretical strength, hydrostatic loading, uniaxial loading
Authors
ŘEHÁK, P.; ČERNÝ, M.; ŠOB, M.
RIV year
2015
Released
28. 5. 2015
Publisher
IOP Publishing Ltd.
Location
Bristol
ISBN
0965-0393
Periodical
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
Year of study
23
Number
5
State
United Kingdom of Great Britain and Northern Ireland
Pages from
1
Pages to
10
Pages count
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" }