About: Ab initio calculations of elastic and magnetic properties of Fe, Co, Ni, and Cr crystals under isotropic deformation.     Goto   Sponge   NotDistinct   Permalink

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  • Ideal strength of Fe, Co, Ni and Cr under isotropic tension was calculated ab initio. The stability of the ground-state structure in the tensile region was assessed via comparison of its total energy and enthalpy with those of other structures. No instabilities were found prior to reaching the inflexion point on the total energy vs. volume curve and the stress related to this point was therefore considered to be the ideal strength.
  • Ideal strength of Fe, Co, Ni and Cr under isotropic tension was calculated ab initio. The stability of the ground-state structure in the tensile region was assessed via comparison of its total energy and enthalpy with those of other structures. No instabilities were found prior to reaching the inflexion point on the total energy vs. volume curve and the stress related to this point was therefore considered to be the ideal strength. (en)
Title
  • Ab initio calculations of elastic and magnetic properties of Fe, Co, Ni, and Cr crystals under isotropic deformation.
  • Ab initio calculations of elastic and magnetic properties of Fe, Co, Ni, and Cr crystals under isotropic deformation. (en)
skos:prefLabel
  • Ab initio calculations of elastic and magnetic properties of Fe, Co, Ni, and Cr crystals under isotropic deformation.
  • Ab initio calculations of elastic and magnetic properties of Fe, Co, Ni, and Cr crystals under isotropic deformation. (en)
skos:notation
  • RIV/68081723:_____/03:07023088!RIV/2004/AV0/A07004/N
http://linked.open.../vavai/riv/strany
  • 035116/1; 035116/8
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GA106/02/0877), P(IAA1010817), P(OC 523.90), Z(AV0Z2041904), Z(MSM 262100002)
http://linked.open...iv/cisloPeriodika
  • 3
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 597235
http://linked.open...ai/riv/idVysledku
  • RIV/68081723:_____/03:07023088
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • ab initio calculations; electronic structure; magnetic phase transitions (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [D13D364ECD87]
http://linked.open...i/riv/nazevZdroje
  • Physical Review B. Condensed Matter and Materials Physics
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...ocetUcastnikuAkce
http://linked.open...nichUcastnikuAkce
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 67
http://linked.open...iv/tvurceVysledku
  • Friák, Martin
  • Šob, Mojmír
  • Černý, M.
  • Pokluda, J.
  • Šandera, P.
http://linked.open...n/vavai/riv/zamer
issn
  • 0163-1829
number of pages
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