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 a Mojmír ŠOB

Základní údaje

Originální název

Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading

Autoři

ŘEHÁK, Petr (203 Česká republika, domácí); M. ČERNÝ (203 Česká republika) a Mojmír ŠOB (203 Česká republika, garant, domácí)

Vydání

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

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10302 Condensed matter physics

Stát vydavatele

Velká Británie a Severní Irsko

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 1.859

Kód RIV

RIV/00216224:14740/15:00084894

Organizační jednotka

Středoevropský technologický institut

DOI

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

UT WoS

000356289300010

EID Scopus

2-s2.0-84935846795

Klíčová slova anglicky

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

Štítky

rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 26. 11. 2015 08:32, Martina Prášilová

Anotace

V originále

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.

Návaznosti

ED1.1.00/02.0068, projekt VaV

Název: CEITEC - central european institute of technology

Citovat

ŘEHÁK, Petr; M. ČERNÝ a 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, roč. 23, č. 5, s. "nestránkováno", 10 s. ISSN 0965-0393. Dostupné z: 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 a 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, roč.~23, č.~5, s.~''nestránkováno'', 10 s. ISSN~0965-0393. Dostupné z: https://dx.doi.org/10.1088/0965-0393/23/5/055010.

Přehled o publikaci