About: Dynamic stability of fcc crystals under isotropic loading from first principles

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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. (en)
Title	Dynamic stability of fcc crystals under isotropic loading from first principles Dynamic stability of fcc crystals under isotropic loading from first principles (en)
skos:prefLabel	Dynamic stability of fcc crystals under isotropic loading from first principles Dynamic stability of fcc crystals under isotropic loading from first principles (en)
skos:notation	RIV/00216305:26620/12:PU97618!RIV13-GA0-26620___
http://linked.open...avai/predkladatel	Středoevropský technologický institut
http://linked.open...avai/riv/aktivita	P S
http://linked.open...avai/riv/aktivity	P(ED1.1.00/02.0068), P(GD106/09/H035), S
http://linked.open...iv/cisloPeriodika	21
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Řehák, Petr Černý, Miroslav Pokluda, Jaroslav
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Vysoké učení technické v Brně / Středoevropský technologický institut
http://linked.open...dnocenehoVysledku	132518
http://linked.open...ai/riv/idVysledku	RIV/00216305:26620/12:PU97618
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	lattice dynamics, phonon instability, isotropic loading, ab initio calculations (en)
http://linked.open.../riv/klicoveSlovo	lattice dynamics isotropic loading ab initio calculations phonon instability
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[D42A785FF89B]
http://linked.open...i/riv/nazevZdroje	Journal of Physics: Condensed Matter
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Central european institute of technology Multiscale design of advanced materials
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	24
http://linked.open...iv/tvurceVysledku	Pokluda, Jaroslav Černý, Miroslav Řehák, Petr
http://linked.open...ain/vavai/riv/wos	000303985800010
issn	0953-8984
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	26620
is http://linked.open...avai/riv/vysledek of	Dynamic stability of fcc crystals under isotropic loading from first principles

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