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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F10%3A00049656%21RIV12-GA0-14310___
rdf:type
n5:Vysledek skos:Concept
dcterms: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.
dcterms: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
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
skos:notation
RIV/00216224:14310/10:00049656!RIV12-GA0-14310___
n3:aktivita
n7:Z n7:P
n3:aktivity
P(GA202/09/1786), P(IAA100100920), P(OC10008), Z(AV0Z20410507), Z(MSM0021622410)
n3:cisloPeriodika
4
n3:dodaniDat
n4:2012
n3:domaciTvurceVysledku
n9:6805078
n3:druhVysledku
n10:J
n3:duvernostUdaju
n18:S
n3:entitaPredkladatele
n19:predkladatel
n3:idSjednocenehoVysledku
244678
n3:idVysledku
RIV/00216224:14310/10:00049656
n3:jazykVysledku
n15:eng
n3:klicovaSlova
phase transformations; thin films; Pd; nanocrystalline materials
n3:klicoveSlovo
n13:Pd n13:thin%20films n13:nanocrystalline%20materials n13:phase%20transformations
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[77ADB4CC6473]
n3:nazevZdroje
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
n3:obor
n14:BM
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
3
n3:projekt
n11:OC10008 n11:GA202%2F09%2F1786 n11:IAA100100920
n3:rokUplatneniVysledku
n4:2010
n3:svazekPeriodika
34
n3:tvurceVysledku
Káňa, Tomáš Šob, Mojmír Hueger, Erwin
n3:zamer
n17:MSM0021622410 n17:AV0Z20410507
s:issn
0364-5916
s:numberOfPages
7
n16:organizacniJednotka
14310