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Statements

Subject Item
n2:RIV%2F68081723%3A_____%2F12%3A00387484%21RIV13-AV0-68081723
rdf:type
skos:Concept n16:Vysledek
dcterms:description
Structural properties and energetics of Fe-based C14 Laves phases at various compositions (i.e. Fe2Fe, Fe2X, X2Fe, X2X, where X stands for Si, Cr, Mo, W, Ta) were investigated. Thermodynamic analysis shows that the Fe2X configurations of Laves phases are more stable than the X2Fe ones. Some of the X2Fe configurations are even unstable with respect to the weighted average of the Laves phases of elemental constituents. Our calculations predict the stability of Fe2Ta. On the other hand, Fe2Mo and Fe2W are slightly unstable (3.19 and 0.68 kJ.mol-1, respectively) and hypothetical structures Fe2Cr and Fe2Si are found unstable as well. Structural properties and energetics of Fe-based C14 Laves phases at various compositions (i.e. Fe2Fe, Fe2X, X2Fe, X2X, where X stands for Si, Cr, Mo, W, Ta) were investigated. Thermodynamic analysis shows that the Fe2X configurations of Laves phases are more stable than the X2Fe ones. Some of the X2Fe configurations are even unstable with respect to the weighted average of the Laves phases of elemental constituents. Our calculations predict the stability of Fe2Ta. On the other hand, Fe2Mo and Fe2W are slightly unstable (3.19 and 0.68 kJ.mol-1, respectively) and hypothetical structures Fe2Cr and Fe2Si are found unstable as well.
dcterms:title
Ab initio study of C14 Laves phases in Fe-based systems Ab initio study of C14 Laves phases in Fe-based systems
skos:prefLabel
Ab initio study of C14 Laves phases in Fe-based systems Ab initio study of C14 Laves phases in Fe-based systems
skos:notation
RIV/68081723:_____/12:00387484!RIV13-AV0-68081723
n16:predkladatel
n17:ico%3A68081723
n4:aktivita
n8:P n8:I
n4:aktivity
I, P(ED1.1.00/02.0068), P(GAP108/10/1908)
n4:cisloPeriodika
3
n4:dodaniDat
n5:2013
n4:domaciTvurceVysledku
n14:6805078 n14:9636366
n4:druhVysledku
n10:J
n4:duvernostUdaju
n19:S
n4:entitaPredkladatele
n12:predkladatel
n4:idSjednocenehoVysledku
120748
n4:idVysledku
RIV/68081723:_____/12:00387484
n4:jazykVysledku
n13:eng
n4:klicovaSlova
ab initio calculations; C14 Laves phases; Lattice Stability
n4:klicoveSlovo
n9:C14%20Laves%20phases n9:Lattice%20Stability n9:ab%20initio%20calculations
n4:kodStatuVydavatele
RS - Srbská republika
n4:kontrolniKodProRIV
[92BA1E5545F6]
n4:nazevZdroje
Journal of Mining and Metallurgy Section B-Metallurgy
n4:obor
n18:BM
n4:pocetDomacichTvurcuVysledku
2
n4:pocetTvurcuVysledku
2
n4:projekt
n15:ED1.1.00%2F02.0068 n15:GAP108%2F10%2F1908
n4:rokUplatneniVysledku
n5:2012
n4:svazekPeriodika
48
n4:tvurceVysledku
Pavlů, Jana Šob, Mojmír
n4:wos
000314056000010
s:issn
1450-5339
s:numberOfPages
7
n6:doi
10.2298/JMMB120704050P