About: The role of ab initio electronic structure calculations in contemporary materials science.

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About: The role of ab initio electronic structure calculations in contemporary materials science. Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The state-of-the-art ab initio electronic structure calculation methods are briefly reviewed and their applications are illustrated on the following problems: (i) magnetism of iron and its changes during phase transformations, (ii) theoretical strength of metals and intermetallics, (iii) generation of interatomic potentials for large-scale computer simulations of defect configurations. The state-of-the-art ab initio electronic structure calculation methods are briefly reviewed and their applications are illustrated on the following problems: (i) magnetism of iron and its changes during phase transformations, (ii) theoretical strength of metals and intermetallics, (iii) generation of interatomic potentials for large-scale computer simulations of defect configurations. (en)
Title	The role of ab initio electronic structure calculations in contemporary materials science. The role of ab initio electronic structure calculations in contemporary materials science. (en)
skos:prefLabel	The role of ab initio electronic structure calculations in contemporary materials science. The role of ab initio electronic structure calculations in contemporary materials science. (en)
skos:notation	RIV/68081723:_____/02:07023147!RIV/2003/GA0/A07003/N
http://linked.open.../vavai/riv/strany	261;272
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA106/02/0877), P(GA106/99/1178), P(IAA1010817), P(ME 264), P(OC P3.10), Z(AV0Z2041904)
http://linked.open...iv/cisloPeriodika	N/A
http://linked.open...vai/riv/dodaniDat	2003
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	662606
http://linked.open...ai/riv/idVysledku	RIV/68081723:_____/02:07023147
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ab initio calculations; electronic structure; magnetic phase transitions (en)
http://linked.open.../riv/klicoveSlovo	electronic structure ab initio calculations magnetic phase transitions
http://linked.open...odStatuVydavatele	CH - Švýcarská konfederace
http://linked.open...ontrolniKodProRIV	[74D7F69EF518]
http://linked.open...i/riv/nazevZdroje	Key Engineering Materials
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Experimental and theoretical studies of grain boundary segregation http://linked.opendata.cz/resource/domain/vavai/projekt/ME%20264 http://linked.opendata.cz/resource/domain/vavai/projekt/OC%20P3.10 Experimental and theoretical study of stability of intermetallic phases based on transition metals Stability of crystal structures and lattice defects in intermetallics
http://linked.open...UplatneniVysledku	2002
http://linked.open...v/svazekPeriodika	227
http://linked.open...iv/tvurceVysledku	Friák, Martin Vitek, V. Šob, Mojmír Wang, L. G.
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	1013-9826
number of pages	12 (xsd:int)

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