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  • Grain boundaries (GBs) represent an important class of two-dimensional extended defects in materials. Segregation of impurity atoms is responsible for a degradation of mechanical properties. Recently, it was found that application of magnetic annealing leads to decreasing concentration of impurities at GBs in Fe-0.8%Sn alloy and improves its ductility To understand the mechanism of this process it is necessary to study magnetism of clean GBs as well as of GBs with segregants at the microscopic (ab initio) level. In the present work, we investigate the Sigma5(310) GB in iron.
  • Grain boundaries (GBs) represent an important class of two-dimensional extended defects in materials. Segregation of impurity atoms is responsible for a degradation of mechanical properties. Recently, it was found that application of magnetic annealing leads to decreasing concentration of impurities at GBs in Fe-0.8%Sn alloy and improves its ductility To understand the mechanism of this process it is necessary to study magnetism of clean GBs as well as of GBs with segregants at the microscopic (ab initio) level. In the present work, we investigate the Sigma5(310) GB in iron. (en)
  • Je studována segregace nečistot na hranicích zrn v železe na základě výpočtů elektronové struktury z prvních principů. (cs)
Title
  • Grain boundary magnetism - an ab initio study
  • Grain boundary magnetism - an ab initio study (en)
  • Studium magnetismu hranic zrn z prvních principů (cs)
skos:prefLabel
  • Grain boundary magnetism - an ab initio study
  • Grain boundary magnetism - an ab initio study (en)
  • Studium magnetismu hranic zrn z prvních principů (cs)
skos:notation
  • RIV/68081723:_____/07:00307352!RIV08-AV0-68081723
http://linked.open.../vavai/riv/strany
  • 23;24
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GD106/05/H008), P(IAA1041302), P(OC 147), Z(AV0Z20410507)
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
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  • 423592
http://linked.open...ai/riv/idVysledku
  • RIV/68081723:_____/07:00307352
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • grain boundaries; magnetism; ab initio calculations (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [924A77878FD9]
http://linked.open...v/mistoKonaniAkce
  • Brno
http://linked.open...i/riv/mistoVydani
  • Brno
http://linked.open...i/riv/nazevZdroje
  • VII. pracovní setkání fyzikálních chemiků a elektrochemiků
http://linked.open...in/vavai/riv/obor
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http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...iv/tvurceVysledku
  • Šob, Mojmír
  • Hafner, J.
  • Čák, Miroslav
http://linked.open...vavai/riv/typAkce
http://linked.open.../riv/zahajeniAkce
http://linked.open...n/vavai/riv/zamer
number of pages
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  • Masarykova univerzita
https://schema.org/isbn
  • 978-80-210-4235-3
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