About: Ab initio study of ideal tensile strength and mechanical stability of transition-metal disilicides.

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About: Ab initio study of ideal tensile strength and mechanical stability of transition-metal disilicides. Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The ideal tensile test in transition metal disilicides MoSi2 and WSi2 with C11b structure is simulated by ab initio electronic structure calculations using the full-potential linearized augmented plane wave method (FLAPW). The theoretical tensile strength for [001] loading is determined for both disilicides and compared with that of other materials. Full relaxation of all external and one internal structural parameter is performed and influence of each relaxation process on energetics and strength of materials studied is investigated. Differences in behaviour of various interatomic bonds including tension-compression asymmetry are analysed and their origin in connection with the changes of the internal structural parameter is traced.For comparison, the response of bonds in MoSi and CoSi with B2 structure to the [001] loading is also studied. The ideal tensile test in transition metal disilicides MoSi2 and WSi2 with C11b structure is simulated by ab initio electronic structure calculations using the full-potential linearized augmented plane wave method (FLAPW). The theoretical tensile strength for [001] loading is determined for both disilicides and compared with that of other materials. Full relaxation of all external and one internal structural parameter is performed and influence of each relaxation process on energetics and strength of materials studied is investigated. Differences in behaviour of various interatomic bonds including tension-compression asymmetry are analysed and their origin in connection with the changes of the internal structural parameter is traced.For comparison, the response of bonds in MoSi and CoSi with B2 structure to the [001] loading is also studied. (en)
Title	Ab initio study of ideal tensile strength and mechanical stability of transition-metal disilicides. Ab initio study of ideal tensile strength and mechanical stability of transition-metal disilicides. (en)
skos:prefLabel	Ab initio study of ideal tensile strength and mechanical stability of transition-metal disilicides. Ab initio study of ideal tensile strength and mechanical stability of transition-metal disilicides. (en)
skos:notation	RIV/68081723:_____/03:07033148!RIV/2004/AV0/A07004/N
http://linked.open.../vavai/riv/strany	184101;1 - 181101-10
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA202/03/1351), P(IAA1041302), P(OC 523.90), Z(AV0Z2041904)
http://linked.open...iv/cisloPeriodika	18
http://linked.open...vai/riv/dodaniDat	2004
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	597240
http://linked.open...ai/riv/idVysledku	RIV/68081723:_____/03:07033148
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ab initio calculations; electronic structure; theoretical tensile strength (en)
http://linked.open.../riv/klicoveSlovo	electronic structure ab initio calculations theoretical tensile strength
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[E567BEC28D75]
http://linked.open...i/riv/nazevZdroje	Physical Review B. Condensed Matter and Materials Physics
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	http://linked.opendata.cz/resource/domain/vavai/projekt/OC%20523.90 Quantum-mechanical studies of strength, stability and phase transformations in advanced intermetallic compounds Mechanical properties of advanced materials and stability of higher-energy phases
http://linked.open...UplatneniVysledku	2003
http://linked.open...v/svazekPeriodika	68
http://linked.open...iv/tvurceVysledku	Friák, Martin Vitek, V. Šob, Mojmír
http://linked.open...n/vavai/riv/zamer	Behavior and properties of metallic and non-metallic materials in relation to their structure, research on processes leading to degradation of material quality
issn	0163-1829
number of pages	10 (xsd:int)

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