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  • A new theoretical approach to the explanation of experimentally determined positive enthalpy of formation in Cr-based sigma-phases is presented. It turns out that the energy of formation of sigma-phases in Cr-Co and Cr-Fe systems is found negative taking the pure components in sigma-phase structure as standard states. Our treatment represents the first step to a new model of explanation of the stability of the sigma-phase.
  • A new theoretical approach to the explanation of experimentally determined positive enthalpy of formation in Cr-based sigma-phases is presented. It turns out that the energy of formation of sigma-phases in Cr-Co and Cr-Fe systems is found negative taking the pure components in sigma-phase structure as standard states. Our treatment represents the first step to a new model of explanation of the stability of the sigma-phase. (en)
Title
  • Ab initio analysis of energetics of sigma-phase formation in Cr-based systems.
  • Ab initio analysis of energetics of sigma-phase formation in Cr-based systems. (en)
skos:prefLabel
  • Ab initio analysis of energetics of sigma-phase formation in Cr-based systems.
  • Ab initio analysis of energetics of sigma-phase formation in Cr-based systems. (en)
skos:notation
  • RIV/68081723:_____/01:07013152!RIV/2003/AV0/A07003/N
http://linked.open.../vavai/riv/strany
  • čl. 174104
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(IAA1010817), P(OC P3.10), P(OC P3.90), Z(AV0Z2041904)
http://linked.open...iv/cisloPeriodika
  • 17
http://linked.open...vai/riv/dodaniDat
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  • 672387
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  • RIV/68081723:_____/01:07013152
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  • electronic structure; alloys; sigma phase (en)
http://linked.open.../riv/klicoveSlovo
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  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [1F096FA07376]
http://linked.open...i/riv/nazevZdroje
  • Physical Review. B
http://linked.open...in/vavai/riv/obor
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http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 63
http://linked.open...iv/tvurceVysledku
  • Vřešťál, J.
  • Šob, Mojmír
  • Havránková, Jitka
  • Wang, L. G.
http://linked.open...n/vavai/riv/zamer
issn
  • 0163-1829
number of pages
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