About: Strength of bcc crystals under combined shear and axial loading from first principles

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Ab initio simulations of uniaxial tensile and compressive loading in <110> direction, <111>{110} shear and their superposition in six perfect crystals of bcc metals are performed using a plane wave code working within the framework of density functional theory. Under uniaxial compression, the crystal lattice transforms along an orthorhombic path that connects two bcc states and goes through one or two states of tetragonal symmetry. Such structural transformations determine compressive strengths of bcc crystals. On the other hand, reaching the maximum tensile stress coincides with vanishing of the shear strength in lattice planes perpendicular to the loading axis. The theoretical shear strength is found to be a decreasing (increasing) function of the applied tensile (compressive) normal stress in most studied cases. One of potential applications of this particular result is a prediction of shear instabilities in crystal lattices during tensile tests. Estimated critical tensile stresses related to she Ab initio simulations of uniaxial tensile and compressive loading in <110> direction, <111>{110} shear and their superposition in six perfect crystals of bcc metals are performed using a plane wave code working within the framework of density functional theory. Under uniaxial compression, the crystal lattice transforms along an orthorhombic path that connects two bcc states and goes through one or two states of tetragonal symmetry. Such structural transformations determine compressive strengths of bcc crystals. On the other hand, reaching the maximum tensile stress coincides with vanishing of the shear strength in lattice planes perpendicular to the loading axis. The theoretical shear strength is found to be a decreasing (increasing) function of the applied tensile (compressive) normal stress in most studied cases. One of potential applications of this particular result is a prediction of shear instabilities in crystal lattices during tensile tests. Estimated critical tensile stresses related to she (en)
Title	Strength of bcc crystals under combined shear and axial loading from first principles Strength of bcc crystals under combined shear and axial loading from first principles (en)
skos:prefLabel	Strength of bcc crystals under combined shear and axial loading from first principles Strength of bcc crystals under combined shear and axial loading from first principles (en)
skos:notation	RIV/00216305:26210/12:PU95116!RIV13-GA0-26210___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(GA106/09/1524)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Šesták, 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 / Fakulta strojního inženýrství
http://linked.open...dnocenehoVysledku	171669
http://linked.open...ai/riv/idVysledku	RIV/00216305:26210/12:PU95116
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	theoretical strength, shear and compression, stress superposition, structural transformation, bcc metals, ab initio calculations (en)
http://linked.open.../riv/klicoveSlovo	ab initio calculations theoretical strength stress superposition bcc metals shear and compression structural transformation
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[83C0C46B3D04]
http://linked.open...i/riv/nazevZdroje	COMPUTATIONAL MATERIALS SCIENCE
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	First-principles study of mechanical properties of ideal metallic fiber nano-composites
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	55
http://linked.open...iv/tvurceVysledku	Pokluda, Jaroslav Černý, Miroslav Šesták, Petr
http://linked.open...ain/vavai/riv/wos	000300728600044
issn	0927-0256
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	26210

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