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  • Simulation of tensile test of copper cryslat along <001> is performed using ab initio full-potential linear augmented plane waves (FLAPW) method. Both the local density approximation (LDA) and generalized gradient approximation (GGA) are used to evaluate exchange-correlation contribution to the total energy. Equilibrium lattice parameter and Young modulus are computed ro assess reliability of our results by comparing them with experiment. Stability conditions for uniaxially loaded system are presented and analyzed. Finally, the ideal strength (IS) is calculated.
  • Simulation of tensile test of copper cryslat along <001> is performed using ab initio full-potential linear augmented plane waves (FLAPW) method. Both the local density approximation (LDA) and generalized gradient approximation (GGA) are used to evaluate exchange-correlation contribution to the total energy. Equilibrium lattice parameter and Young modulus are computed ro assess reliability of our results by comparing them with experiment. Stability conditions for uniaxially loaded system are presented and analyzed. Finally, the ideal strength (IS) is calculated. (en)
Title
  • Ab initio calculations of theoretical strength and phase stability in copper.
  • Ab initio calculations of theoretical strength and phase stability in copper. (en)
skos:prefLabel
  • Ab initio calculations of theoretical strength and phase stability in copper.
  • Ab initio calculations of theoretical strength and phase stability in copper. (en)
skos:notation
  • RIV/68081723:_____/01:07013250!RIV/2003/AV0/A07003/N
http://linked.open.../vavai/riv/strany
  • 150;151
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • Z(AV0Z2041904), Z(MSM 262100002)
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
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  • 672390
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  • RIV/68081723:_____/01:07013250
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  • theoretical tensile strength; ab initio; stability (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [F4F57675228F]
http://linked.open...v/mistoKonaniAkce
  • Brno [CZ]
http://linked.open...i/riv/mistoVydani
  • Brno
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  • Proceedings of the International Conference Juniormat'01.
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http://linked.open...UplatneniVysledku
http://linked.open...iv/tvurceVysledku
  • Šob, Mojmír
  • Černý, M.
  • Šandera, P.
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. Fakulta strojního inženýrství
https://schema.org/isbn
  • 80-214-1885-0
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