Mechanical stability of Ni and Ir under hydrostatic and
uniaxial loading

J 2015

Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading

ŘEHÁK, Petr; M. ČERNÝ and Mojmír ŠOB

Basic information

Original name

Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading

Authors

ŘEHÁK, Petr (203 Czech Republic, belonging to the institution); M. ČERNÝ (203 Czech Republic) and Mojmír ŠOB (203 Czech Republic, guarantor, belonging to the institution)

Edition

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, BRISTOL, IOP PUBLISHING LTD, 2015, 0965-0393

Other information

Language

English

Type of outcome

Article in a journal

Field of Study

10302 Condensed matter physics

Country of publisher

United Kingdom of Great Britain and Northern Ireland

Confidentiality degree

is not subject to a state or trade secret

References:

URL

Impact factor

Impact factor: 1.859

RIV identification code

RIV/00216224:14740/15:00084894

Organization unit

Central European Institute of Technology

DOI

http://dx.doi.org/10.1088/0965-0393/23/5/055010

UT WoS

000356289300010

EID Scopus

2-s2.0-84935846795

Keywords in English

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

Abstract

In the original language

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.

Links

ED1.1.00/02.0068, research and development project

Name: CEITEC - central european institute of technology

Cite

ŘEHÁK, Petr; M. ČERNÝ and Mojmír ŠOB. Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING. BRISTOL: IOP PUBLISHING LTD, 2015, vol. 23, No 5, p. "nestránkováno", 10 pp. ISSN 0965-0393. Available from: https://dx.doi.org/10.1088/0965-0393/23/5/055010.

@article{1318695,
   author = {Řehák, Petr and Černý, M. and Šob, Mojmír},
   article_location = {BRISTOL},
   article_number = {5},
   doi = {http://dx.doi.org/10.1088/0965-0393/23/5/055010},
   keywords = {ab initio calculations; elastic stability; phonon instability; theoretical strength; hydrostatic loading; uniaxial loading},
   language = {eng},
   issn = {0965-0393},
   journal = {MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING},
   title = {Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading},
   url = {http://iopscience.iop.org/article/10.1088/0965-0393/23/5/055010/pdf},
   volume = {23},
   year = {2015}
}

TY  - JOUR
ID  - 1318695
AU  - Řehák, Petr - Černý, M. - Šob, Mojmír
PY  - 2015
TI  - Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading
JF  - MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
VL  - 23
IS  - 5
SP  - "nestránkováno"
EP  - "nestránkováno"
PB  - IOP PUBLISHING LTD
SN  - 09650393
KW  - ab initio calculations
KW  - elastic stability
KW  - phonon instability
KW  - theoretical strength
KW  - hydrostatic loading
KW  - uniaxial loading
UR  - http://iopscience.iop.org/article/10.1088/0965-0393/23/5/055010/pdf
L2  - http://iopscience.iop.org/article/10.1088/0965-0393/23/5/055010/pdf
N2  - 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.
ER  -

ŘEHÁK, Petr; M. ČERNÝ and Mojmír ŠOB. Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading. \textit{MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING}. BRISTOL: IOP PUBLISHING LTD, 2015, vol.~23, No~5, p.~''nestránkováno'', 10 pp. ISSN~0965-0393. Available from: https://dx.doi.org/10.1088/0965-0393/23/5/055010.

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