About: A mechanism of inhibition of phase transitions in nano-grained close-packed Pd thin films

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Analyzing experimental data and calculating corresponding energy barriers from first principles, we elucidate the feasibility of the experimentally observed phase transformation between the hcp and double hcp (dhcp) structures in the hcp Pd thin films grown on W(001) and Nb(001) substrates and absence of the hcp-fcc transformation in those films. The hcp-dhcp transformation can be modeled by a transformation path which preserves the existing domain topology of the films and exhibits a sufficiently low energy barrier. On the other hand, this orthogonal pattern of rectangular domains induced by the fourfold symmetry of the substrate surface hinders the hcp Pd phase to convert back to the ground-state fcc phase, although there exists a transformation path exhibiting a very low energy barrier between the hcp and fcc structures. This path, however, would break the domain arrangement and, therefore, it cannot be accomplished. In this way, the hcp crystalline phase is locked inside of nanograins. Analyzing experimental data and calculating corresponding energy barriers from first principles, we elucidate the feasibility of the experimentally observed phase transformation between the hcp and double hcp (dhcp) structures in the hcp Pd thin films grown on W(001) and Nb(001) substrates and absence of the hcp-fcc transformation in those films. The hcp-dhcp transformation can be modeled by a transformation path which preserves the existing domain topology of the films and exhibits a sufficiently low energy barrier. On the other hand, this orthogonal pattern of rectangular domains induced by the fourfold symmetry of the substrate surface hinders the hcp Pd phase to convert back to the ground-state fcc phase, although there exists a transformation path exhibiting a very low energy barrier between the hcp and fcc structures. This path, however, would break the domain arrangement and, therefore, it cannot be accomplished. In this way, the hcp crystalline phase is locked inside of nanograins. (en)
Title	A mechanism of inhibition of phase transitions in nano-grained close-packed Pd thin films A mechanism of inhibition of phase transitions in nano-grained close-packed Pd thin films (en)
skos:prefLabel	A mechanism of inhibition of phase transitions in nano-grained close-packed Pd thin films A mechanism of inhibition of phase transitions in nano-grained close-packed Pd thin films (en)
skos:notation	RIV/00216224:14310/10:00049656!RIV12-GA0-14310___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA202/09/1786), P(IAA100100920), P(OC10008), Z(AV0Z20410507), Z(MSM0021622410)
http://linked.open...iv/cisloPeriodika	4
http://linked.open...vai/riv/dodaniDat	2012
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	Masarykova univerzita / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	244678
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/10:00049656
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	phase transformations; thin films; Pd; nanocrystalline materials (en)
http://linked.open.../riv/klicoveSlovo	Pd phase transformations nanocrystalline materials thin films
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[77ADB4CC6473]
http://linked.open...i/riv/nazevZdroje	CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
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...vavai/riv/projekt	Theoretical studies of grain boundaries with point defects and their aggregates Theoretical and experimental study of interfaces and martensitic phase transformations Strength and magnetism of nanocomposites
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	34
http://linked.open...iv/tvurceVysledku	Káňa, Tomáš Šob, Mojmír Hueger, Erwin
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	0364-5916
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	14310
is http://linked.open...avai/riv/vysledek of	A mechanism of inhibition of phase transitions in nano-grained close-packed Pd thin films A mechanism of inhibition of phase transitions in nano-grained close-packed Pd thin films

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