About: Instability of higher-energy phases in simple and transition metals.

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About: Instability of higher-energy phases in simple and transition metals. 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	Total energy calculations for several simple and transition metals along the tetragonal, trigonal and hexagonal transformation paths are performed. Our results show that higher-energy phases, such as the bcc structure of Al, Cu and Ti and the fcc structure of Nb, Mo, Ta and W, are always unstable with respect to one or more transformation modes. Some local minima along the total energy profiles are not dictated by the symmetry. We discuss a problem why a higher-energy phase may be stabilized in a pseudomorphic film. Total energy calculations for several simple and transition metals along the tetragonal, trigonal and hexagonal transformation paths are performed. Our results show that higher-energy phases, such as the bcc structure of Al, Cu and Ti and the fcc structure of Nb, Mo, Ta and W, are always unstable with respect to one or more transformation modes. Some local minima along the total energy profiles are not dictated by the symmetry. We discuss a problem why a higher-energy phase may be stabilized in a pseudomorphic film. (en)
Title	Instability of higher-energy phases in simple and transition metals. Instability of higher-energy phases in simple and transition metals. (en)
skos:prefLabel	Instability of higher-energy phases in simple and transition metals. Instability of higher-energy phases in simple and transition metals. (en)
skos:notation	RIV/68081723:_____/03:07023116!RIV/2004/AV0/A07004/N
http://linked.open.../vavai/riv/strany	863;872
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA106/02/0877), P(IAA1010817), P(OC 523.90), Z(AV0Z2041904)
http://linked.open...iv/cisloPeriodika	5
http://linked.open...vai/riv/dodaniDat	2004
http://linked.open...aciTvurceVysledku	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	610658
http://linked.open...ai/riv/idVysledku	RIV/68081723:_____/03:07023116
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ab initio calculations; electronic structure; higher energy phases (en)
http://linked.open.../riv/klicoveSlovo	electronic structure ab initio calculations higher energy phases
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[A263D1FC8608]
http://linked.open...i/riv/nazevZdroje	Journal of Physics and Chemistry of Solids
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (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 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	2003
http://linked.open...v/svazekPeriodika	64
http://linked.open...iv/tvurceVysledku	Zhang, Z. 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	0022-3697
number of pages	10 (xsd:int)

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