About: Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:From the Electronic Ground State to the Limits of Materials Stability

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The focus of the present paper is on ab initio approaches to the elasticity of materials. First, the methodology to determine single-crystalline elastic constants and polycrystalline moduli of ordered compounds as well as disordered alloys is introduced. In the second part, the methodology is applied on Fe, with a main focus on investigating the influence of magnetism on its elasticity and phase stability and simulating extreme loading conditions that go up to the theoretical tensile strength limits and beyond. The focus of the present paper is on ab initio approaches to the elasticity of materials. First, the methodology to determine single-crystalline elastic constants and polycrystalline moduli of ordered compounds as well as disordered alloys is introduced. In the second part, the methodology is applied on Fe, with a main focus on investigating the influence of magnetism on its elasticity and phase stability and simulating extreme loading conditions that go up to the theoretical tensile strength limits and beyond. (en)
Title	Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:From the Electronic Ground State to the Limits of Materials Stability Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:From the Electronic Ground State to the Limits of Materials Stability (en)
skos:prefLabel	Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:From the Electronic Ground State to the Limits of Materials Stability Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:From the Electronic Ground State to the Limits of Materials Stability (en)
skos:notation	RIV/68081723:_____/11:00371875!RIV12-AV0-68081723
http://linked.open...avai/predkladatel	Ústav fyziky materiálů AVČR, v.v.i.
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(ED1.1.00/02.0068), P(GA202/09/1786), P(IAA100100920), P(OC10008), Z(AV0Z20410507), Z(MSM0021622410)
http://linked.open...iv/cisloPeriodika	2
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Friák, Martin Šob, Mojmír
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	Ústav fyziky materiálů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	193933
http://linked.open...ai/riv/idVysledku	RIV/68081723:_____/11:00371875
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	electronic structure; elasticity; theoretical strength (en)
http://linked.open.../riv/klicoveSlovo	electronic structure theoretical strength elasticity
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[AD82A1BD0D44]
http://linked.open...i/riv/nazevZdroje	Steel research international
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	15 (xsd:int)
http://linked.open...vavai/riv/projekt	Central european institute of technology Theoretical studies of grain boundaries with point defects and their aggregates Theoretical and experimental study of interfaces and martensitic phase transformations Strength and magnetism of nanocomposites
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	82
http://linked.open...iv/tvurceVysledku	Friák, Martin Šob, Mojmír Dick, A. Hickel, T. Kormann, F. Udyansky, A.
http://linked.open...ain/vavai/riv/wos	000287552300002
http://linked.open...n/vavai/riv/zamer	Physical properties of advanced materials in relation to their microstructure and processing Physical and chemical properties of advanced materials and structures
issn	1611-3683
number of pages	15 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:From the Electronic Ground State to the Limits of Materials Stability Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:From the Electronic Ground State to the Limits of Materials Stability

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