About: The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide

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About: The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Tensile test in MoSi2 with C11b structure along the [001] direction is simulated from first principles using the full-potential linearized augmented plane wave method. A full relaxation of all external and internal structural parameters is performed, and influence of each relaxation process on energetics, strength and behavior of interatomic bonds is investigated in detail. It turns out that for a correct description of the phenomena studied, as e.g. tension-compression asymmetry or the behavior of the interatomic bonds, full relaxation of all structural parameters must be performed. Tensile test in MoSi2 with C11b structure along the [001] direction is simulated from first principles using the full-potential linearized augmented plane wave method. A full relaxation of all external and internal structural parameters is performed, and influence of each relaxation process on energetics, strength and behavior of interatomic bonds is investigated in detail. It turns out that for a correct description of the phenomena studied, as e.g. tension-compression asymmetry or the behavior of the interatomic bonds, full relaxation of all structural parameters must be performed. (en)
Title	The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide (en)
skos:prefLabel	The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide (en)
skos:notation	RIV/68081723:_____/09:00331500!RIV10-MSM-68081723
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA202/09/1786), P(IAA100100920), P(OC 147), Z(AV0Z20410507), Z(MSM0021622410)
http://linked.open...iv/cisloPeriodika	7
http://linked.open...vai/riv/dodaniDat	2010
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	312266
http://linked.open...ai/riv/idVysledku	RIV/68081723:_____/09:00331500
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ab initio calculations; theoretical strength; bonding; molybdenum disilicide (en)
http://linked.open.../riv/klicoveSlovo	ab initio calculations bonding theoretical strength molybdenum disilicide
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[F17CFAFE8C84]
http://linked.open...i/riv/nazevZdroje	Intermetallics
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	http://linked.opendata.cz/resource/domain/vavai/projekt/OC%20147 Theoretical studies of grain boundaries with point defects and their aggregates Theoretical and experimental study of interfaces and martensitic phase transformations
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	17
http://linked.open...iv/tvurceVysledku	Friák, Martin Šob, Mojmír
http://linked.open...ain/vavai/riv/wos	000265808200008
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	0966-9795
number of pages	6 (xsd:int)
is http://linked.open...avai/riv/vysledek of	The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide

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