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Statements

Subject Item
n2:RIV%2F68081723%3A_____%2F09%3A00331500%21RIV10-MSM-68081723
rdf:type
n11:Vysledek skos:Concept
dcterms:description
Tensile test in MoSi2 with C11b structure along the [001] direction is simulated from first principles using the full-potential linearized augmented plane wave method. A full relaxation of all external and internal structural parameters is performed, and influence of each relaxation process on energetics, strength and behavior of interatomic bonds is investigated in detail. It turns out that for a correct description of the phenomena studied, as e.g. tension-compression asymmetry or the behavior of the interatomic bonds, full relaxation of all structural parameters must be performed. Tensile test in MoSi2 with C11b structure along the [001] direction is simulated from first principles using the full-potential linearized augmented plane wave method. A full relaxation of all external and internal structural parameters is performed, and influence of each relaxation process on energetics, strength and behavior of interatomic bonds is investigated in detail. It turns out that for a correct description of the phenomena studied, as e.g. tension-compression asymmetry or the behavior of the interatomic bonds, full relaxation of all structural parameters must be performed.
dcterms:title
The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide
skos:prefLabel
The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide
skos:notation
RIV/68081723:_____/09:00331500!RIV10-MSM-68081723
n3:aktivita
n9:Z n9:P
n3:aktivity
P(GA202/09/1786), P(IAA100100920), P(OC 147), Z(AV0Z20410507), Z(MSM0021622410)
n3:cisloPeriodika
7
n3:dodaniDat
n13:2010
n3:domaciTvurceVysledku
n7:1614177 n7:6805078
n3:druhVysledku
n18:J
n3:duvernostUdaju
n10:S
n3:entitaPredkladatele
n12:predkladatel
n3:idSjednocenehoVysledku
312266
n3:idVysledku
RIV/68081723:_____/09:00331500
n3:jazykVysledku
n15:eng
n3:klicovaSlova
ab initio calculations; theoretical strength; bonding; molybdenum disilicide
n3:klicoveSlovo
n14:molybdenum%20disilicide n14:ab%20initio%20calculations n14:theoretical%20strength n14:bonding
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[F17CFAFE8C84]
n3:nazevZdroje
Intermetallics
n3:obor
n17:BM
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
2
n3:projekt
n4:IAA100100920 n4:OC%20147 n4:GA202%2F09%2F1786
n3:rokUplatneniVysledku
n13:2009
n3:svazekPeriodika
17
n3:tvurceVysledku
Friák, Martin Šob, Mojmír
n3:wos
000265808200008
n3:zamer
n16:MSM0021622410 n16:AV0Z20410507
s:issn
0966-9795
s:numberOfPages
6