About: Rol rasčetov elektronnoj struktury iz pervych principov v sovremennom materialovedenii, časť II.     Goto   Sponge   NotDistinct   Permalink

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Description
  • V statje priveden obzor sovremennogo sostojanija pervoprincipnych metodov rasčeta elektronnoj struktury tverdych tel. Ich primenimosť illustrirujetsja rezultatami dlja specifičeskich sistem.
  • The state-of-the-art ab initio electronic structure calculation methods in solids are briefly reviewed and their role in contemporary materials science is discussed. Their applications are illustrated on the following problems: (i) magnetism of iron and its changes during phase transformations, (ii) theoretical tensile strength of metals and intermetallics, (iii) generation of interatomic potentials for large-scale computer simulations of defect configurations, (iv) positron annihilation studies of nanocrystalline materials. (en)
Title
  • Rol rasčetov elektronnoj struktury iz pervych principov v sovremennom materialovedenii, časť II.
  • The role of ab initio electronic structure calculations in contemporary materials science, part II (en)
skos:prefLabel
  • Rol rasčetov elektronnoj struktury iz pervych principov v sovremennom materialovedenii, časť II.
  • The role of ab initio electronic structure calculations in contemporary materials science, part II (en)
skos:notation
  • RIV/00216224:14310/07:00019605!RIV10-MSM-14310___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GA202/03/1351), P(GA202/06/1509), P(IAA1041302), P(OC 147), Z(AV0Z20410507), Z(MSM0021622410)
http://linked.open...iv/cisloPeriodika
  • 11
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
  • 448141
http://linked.open...ai/riv/idVysledku
  • RIV/00216224:14310/07:00019605
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • electronic structure; computational materials science; magnetism; grain boundaries; theoretical strength (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • RU - Ruská federace
http://linked.open...ontrolniKodProRIV
  • [CD319BFDC891]
http://linked.open...i/riv/nazevZdroje
  • Journal of Functional Materials
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 1
http://linked.open...iv/tvurceVysledku
  • Friák, Martin
  • Kuriplach, Jan
  • Šob, Mojmír
  • Vitek, Václav
  • Wang, Ligen
http://linked.open...n/vavai/riv/zamer
issn
  • 1994-6279
number of pages
http://localhost/t...ganizacniJednotka
  • 14310
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