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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F04%3A00012006%21RIV08-GA0-14310___
rdf:type
skos:Concept n17:Vysledek
dcterms:description
In this paper we give an account of applications of quantum-mechanical (first-principles) electronic structure calculations to the problem of theoretical tensile strength in metals and intermetallics. First, we review previous as well as ongoing research on this subject. We then describe briefly the electronic structure calculational methods and simulation of the tensile test. This approach is then illustrated by calculations of theoretical tensile strength in iron and in the intermetallic compound Ni3Al. The anisotropy of calculated tensile strength is explained in terms of higher-symmetry structures encountered along the deformation paths studied. The table summarizing values of theoretical tensile strengths calculated up to now is presented and the role of ab initio electronic structure calculations in contemporary studies of the strength of material is discussed. Úloha prvoprincipielních výpočtů elektronové struktury při studiu pevnosti materiálů In this paper we give an account of applications of quantum-mechanical (first-principles) electronic structure calculations to the problem of theoretical tensile strength in metals and intermetallics. First, we review previous as well as ongoing research on this subject. We then describe briefly the electronic structure calculational methods and simulation of the tensile test. This approach is then illustrated by calculations of theoretical tensile strength in iron and in the intermetallic compound Ni3Al. The anisotropy of calculated tensile strength is explained in terms of higher-symmetry structures encountered along the deformation paths studied. The table summarizing values of theoretical tensile strengths calculated up to now is presented and the role of ab initio electronic structure calculations in contemporary studies of the strength of material is discussed.
dcterms:title
The role of ab initio electronic structure calculations in studies of the strength of materials Úloha prvoprincipielních výpočtů elektronové struktury při studiu pevnosti materiálů The role of ab initio electronic structure calculations in studies of the strength of materials
skos:prefLabel
The role of ab initio electronic structure calculations in studies of the strength of materials The role of ab initio electronic structure calculations in studies of the strength of materials Úloha prvoprincipielních výpočtů elektronové struktury při studiu pevnosti materiálů
skos:notation
RIV/00216224:14310/04:00012006!RIV08-GA0-14310___
n5:strany
148-157
n5:aktivita
n9:P
n5:aktivity
P(GA202/03/1351)
n5:cisloPeriodika
1
n5:dodaniDat
n8:2008
n5:domaciTvurceVysledku
n10:1614177 n10:6805078
n5:druhVysledku
n12:J
n5:duvernostUdaju
n18:S
n5:entitaPredkladatele
n15:predkladatel
n5:idSjednocenehoVysledku
584929
n5:idVysledku
RIV/00216224:14310/04:00012006
n5:jazykVysledku
n13:eng
n5:klicovaSlova
ab initio electronic structure calculations; theoretical strength; magnetism; metals
n5:klicoveSlovo
n6:magnetism n6:metals n6:theoretical%20strength n6:ab%20initio%20electronic%20structure%20calculations
n5:kodStatuVydavatele
NL - Nizozemsko
n5:kontrolniKodProRIV
[AE6F51275352]
n5:nazevZdroje
Materials Science and Engineering A
n5:obor
n11:CF
n5:pocetDomacichTvurcuVysledku
2
n5:pocetTvurcuVysledku
5
n5:projekt
n14:GA202%2F03%2F1351
n5:rokUplatneniVysledku
n8:2004
n5:svazekPeriodika
A 387-389
n5:tvurceVysledku
Fiala, Jaroslav Friák, Martin Šob, Mojmír Legut, Dominik Vitek, Václav
s:issn
0921-5093
s:numberOfPages
10
n16:organizacniJednotka
14310