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Statements

Subject Item
n2:RIV%2F00216305%3A26620%2F12%3APU97618%21RIV13-GA0-26620___
rdf:type
skos:Concept n16:Vysledek
dcterms:description
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. 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.
dcterms:title
Dynamic stability of fcc crystals under isotropic loading from first principles Dynamic stability of fcc crystals under isotropic loading from first principles
skos:prefLabel
Dynamic stability of fcc crystals under isotropic loading from first principles Dynamic stability of fcc crystals under isotropic loading from first principles
skos:notation
RIV/00216305:26620/12:PU97618!RIV13-GA0-26620___
n16:predkladatel
n18:orjk%3A26620
n3:aktivita
n4:P n4:S
n3:aktivity
P(ED1.1.00/02.0068), P(GD106/09/H035), S
n3:cisloPeriodika
21
n3:dodaniDat
n7:2013
n3:domaciTvurceVysledku
n9:8126887 n9:5612543 n9:9413030
n3:druhVysledku
n19:J
n3:duvernostUdaju
n15:S
n3:entitaPredkladatele
n5:predkladatel
n3:idSjednocenehoVysledku
132518
n3:idVysledku
RIV/00216305:26620/12:PU97618
n3:jazykVysledku
n10:eng
n3:klicovaSlova
lattice dynamics, phonon instability, isotropic loading, ab initio calculations
n3:klicoveSlovo
n8:ab%20initio%20calculations n8:phonon%20instability n8:lattice%20dynamics n8:isotropic%20loading
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[D42A785FF89B]
n3:nazevZdroje
Journal of Physics: Condensed Matter
n3:obor
n17:BM
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
3
n3:projekt
n11:GD106%2F09%2FH035 n11:ED1.1.00%2F02.0068
n3:rokUplatneniVysledku
n7:2012
n3:svazekPeriodika
24
n3:tvurceVysledku
Řehák, Petr Pokluda, Jaroslav Černý, Miroslav
n3:wos
000303985800010
s:issn
0953-8984
s:numberOfPages
7
n13:organizacniJednotka
26620