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  • Elastic moduli of three perfect fcc crystals (Al, Cu, Ag) are calculated via ab initio study of the energy changes under an hydrostatic strain imposed to the crystal system. Stability conditions for the system are expressed in terms of the computed elastic moduli (the bulk modulus, tetragonal and trigonal shear moduli) and system stability is analyzed along whole deformation path from the minimum up to the inflection point of the dependence of the total energy on the volume. Theoretical tensile strength under hydrostatic loading is evaluated as a stress at the first onset of instability. The calculated values of the elastic moduli and the equilibrium lattice parameters agree well with available experimental data.
  • Elastic moduli of three perfect fcc crystals (Al, Cu, Ag) are calculated via ab initio study of the energy changes under an hydrostatic strain imposed to the crystal system. Stability conditions for the system are expressed in terms of the computed elastic moduli (the bulk modulus, tetragonal and trigonal shear moduli) and system stability is analyzed along whole deformation path from the minimum up to the inflection point of the dependence of the total energy on the volume. Theoretical tensile strength under hydrostatic loading is evaluated as a stress at the first onset of instability. The calculated values of the elastic moduli and the equilibrium lattice parameters agree well with available experimental data. (en)
Title
  • Stability of FCC crystals under hydrostatic loading
  • Stability of FCC crystals under hydrostatic loading (en)
skos:prefLabel
  • Stability of FCC crystals under hydrostatic loading
  • Stability of FCC crystals under hydrostatic loading (en)
skos:notation
  • RIV/00216305:26210/04:PU43516!RIV11-MSM-26210___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • V, Z(MSM 262100002)
http://linked.open...iv/cisloPeriodika
  • 1-2
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
  • 587696
http://linked.open...ai/riv/idVysledku
  • RIV/00216305:26210/04:PU43516
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • Metals, Crystal structure and symmetry, Elasticity, Strain, High pressure (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • NL - Nizozemsko
http://linked.open...ontrolniKodProRIV
  • [204B47F245D4]
http://linked.open...i/riv/nazevZdroje
  • Journal of Alloys and Compounds
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 378
http://linked.open...iv/tvurceVysledku
  • Pokluda, Jaroslav
  • Černý, Miroslav
http://linked.open...n/vavai/riv/zamer
issn
  • 0925-8388
number of pages
http://localhost/t...ganizacniJednotka
  • 26210
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