About: Directional versus central-force bonding in studies of the structure and glide of 1/2 < 111 > screw dislocations in bcc transition metals

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About: Directional versus central-force bonding in studies of the structure and glide of 1/2 < 111 > screw dislocations in bcc transition metals Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We address the differences between Finnis-Sinclair potentials and bond-order potentials (BOPs) when studying 1/2< 111 > screw dislocations in bcc transition metals, specifically Mo and W. These potentials differ in that the former is central-force, whereas the latter include angular bonding. The cores of 1/2< 111 > screw dislocations have two variants, one invariant with respect to the [-101] diad and the other not. It is the description of interatomic forces that governs both the core structure and the glide behaviour of dislocations. Whereas the results obtained with BOPs are similar for the two materials studied, Finnis-Sinclair potentials lead to a broader variety. Hence, in bcc transition metals the BOPs are a more reliable description of atomic interactions than Finnis-Sinclair potentials, but when the d band does not play any important role, the Finnis-Sinclair potentials are fully applicable. We address the differences between Finnis-Sinclair potentials and bond-order potentials (BOPs) when studying 1/2< 111 > screw dislocations in bcc transition metals, specifically Mo and W. These potentials differ in that the former is central-force, whereas the latter include angular bonding. The cores of 1/2< 111 > screw dislocations have two variants, one invariant with respect to the [-101] diad and the other not. It is the description of interatomic forces that governs both the core structure and the glide behaviour of dislocations. Whereas the results obtained with BOPs are similar for the two materials studied, Finnis-Sinclair potentials lead to a broader variety. Hence, in bcc transition metals the BOPs are a more reliable description of atomic interactions than Finnis-Sinclair potentials, but when the d band does not play any important role, the Finnis-Sinclair potentials are fully applicable. (en)
Title	Directional versus central-force bonding in studies of the structure and glide of 1/2 < 111 > screw dislocations in bcc transition metals Directional versus central-force bonding in studies of the structure and glide of 1/2 < 111 > screw dislocations in bcc transition metals (en)
skos:prefLabel	Directional versus central-force bonding in studies of the structure and glide of 1/2 < 111 > screw dislocations in bcc transition metals Directional versus central-force bonding in studies of the structure and glide of 1/2 < 111 > screw dislocations in bcc transition metals (en)
skos:notation	RIV/68081723:_____/09:00332923!RIV10-AV0-68081723
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAA100100920), Z(AV0Z20410507)
http://linked.open...iv/cisloPeriodika	34
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Gröger, Roman
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	310680
http://linked.open...ai/riv/idVysledku	RIV/68081723:_____/09:00332923
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	transition metals; dislocation core; directional bonding (en)
http://linked.open.../riv/klicoveSlovo	transition metals directional bonding dislocation core
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[5F2BD9532296]
http://linked.open...i/riv/nazevZdroje	Philosophical Magazine
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Theoretical and experimental study of interfaces and martensitic phase transformations
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	89
http://linked.open...iv/tvurceVysledku	Gröger, Roman Vítek, V.
http://linked.open...ain/vavai/riv/wos	000272481200004
http://linked.open...n/vavai/riv/zamer	Physical properties of advanced materials in relation to their microstructure and processing
issn	1478-6435
number of pages	16 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Directional versus central-force bonding in studies of the structure and glide of 1/2 < 111 > screw dislocations in bcc transition metals Directional versus central-force bonding in studies of the structure and glide of 1/2 < 111 > screw dislocations in bcc transition metals Directional versus central-force bonding in studies of the structure and glide of 1/2 < 111 > screw dislocations in bcc transition metals Directional versus central-force bonding in studies of the structure and glide of 1/2 < 111 > screw dislocations in bcc transition metals

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