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  • Ab initio calculations of ideal strength of cubic crystals under three-axial tension are performed using the LMTO-ASA method. Two exchange-correlation term approximations (LDA, GGA) were applied. Computed values are compared with those obtained previously by means of semi-empirical approach. Values of equilibrium lattice parameter obtained in the framework of ab-initio method are well comparable with experimental data whereas a less satisfactory agreement was achieved in case of bulk moduli and cohhesive energy.
  • Ab initio calculations of ideal strength of cubic crystals under three-axial tension are performed using the LMTO-ASA method. Two exchange-correlation term approximations (LDA, GGA) were applied. Computed values are compared with those obtained previously by means of semi-empirical approach. Values of equilibrium lattice parameter obtained in the framework of ab-initio method are well comparable with experimental data whereas a less satisfactory agreement was achieved in case of bulk moduli and cohhesive energy. (en)
Title
  • Ab initio Modelling Deformation of Perfect Cubic Crystals under Triaxial Tension.
  • Ab initio Modelling Deformation of Perfect Cubic Crystals under Triaxial Tension. (en)
skos:prefLabel
  • Ab initio Modelling Deformation of Perfect Cubic Crystals under Triaxial Tension.
  • Ab initio Modelling Deformation of Perfect Cubic Crystals under Triaxial Tension. (en)
skos:notation
  • RIV/00216305:26210/01:PU20107!RIV/2002/MSM/262102/N
http://linked.open.../vavai/riv/strany
  • 140-145
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • Z(MSM 262100002)
http://linked.open...vai/riv/dodaniDat
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  • 672392
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  • RIV/00216305:26210/01:PU20107
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  • Ideal strength, ab initio calculations, LMTO-ASA. (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [455018ECF03D]
http://linked.open...v/mistoKonaniAkce
  • Brno
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  • Brno
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  • Materials Structure & Micromechanics of Fracture (MSMF-3)
http://linked.open...in/vavai/riv/obor
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http://linked.open...UplatneniVysledku
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  • Pokluda, Jaroslav
  • Černý, Miroslav
  • Šandera, Pavel
http://linked.open...vavai/riv/typAkce
http://linked.open.../riv/zahajeniAkce
http://linked.open...n/vavai/riv/zamer
number of pages
http://purl.org/ne...btex#hasPublisher
  • Vysoké učení technické v Brně. Nakladatelství VUTIUM
https://schema.org/isbn
  • 80-214-1892-3
http://localhost/t...ganizacniJednotka
  • 26210
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