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Statements

Subject Item
n2:RIV%2F00216305%3A26210%2F14%3APU112630%21RIV15-MSM-26210___
rdf:type
n3:Vysledek skos:Concept
dcterms:description
Theoretical strength corresponds to a stress associated with failure of a crystal lattice, i.e., with the first occurrence of mechanical instability. Its value sets an upper limit of attainable stresses in a solid crystal without defects and imperfections. The goal of this study is to advance our fundamental understanding of microscopic mechanisms that limit region of mechanical stability of fcc Ni and fcc Ir under hydrostatic (isotropic) and uniaxial [001] loading. The stability is assessed by analysing phonon spectra that are calculated for different values of strain from first principles. Two methods (linear response method and supercell method) are employed for computation of phonon dispersion curves and their results are compared. A relevant analysis of elastic stability conditions is also performed. Although most of the previous studies of isotropic loading predicted that first instabilities in crystals correspond to macroscopic (elastic) instabilities we found soft phonons of finite wave vector Theoretical strength corresponds to a stress associated with failure of a crystal lattice, i.e., with the first occurrence of mechanical instability. Its value sets an upper limit of attainable stresses in a solid crystal without defects and imperfections. The goal of this study is to advance our fundamental understanding of microscopic mechanisms that limit region of mechanical stability of fcc Ni and fcc Ir under hydrostatic (isotropic) and uniaxial [001] loading. The stability is assessed by analysing phonon spectra that are calculated for different values of strain from first principles. Two methods (linear response method and supercell method) are employed for computation of phonon dispersion curves and their results are compared. A relevant analysis of elastic stability conditions is also performed. Although most of the previous studies of isotropic loading predicted that first instabilities in crystals correspond to macroscopic (elastic) instabilities we found soft phonons of finite wave vector
dcterms:title
Mechanical stability of cubic crystals under hydrostatic and uniaxial loading Mechanical stability of cubic crystals under hydrostatic and uniaxial loading
skos:prefLabel
Mechanical stability of cubic crystals under hydrostatic and uniaxial loading Mechanical stability of cubic crystals under hydrostatic and uniaxial loading
skos:notation
RIV/00216305:26210/14:PU112630!RIV15-MSM-26210___
n4:aktivita
n11:P
n4:aktivity
P(ED1.1.00/02.0068)
n4:dodaniDat
n10:2015
n4:domaciTvurceVysledku
n5:8126887 n5:5612543
n4:druhVysledku
n13:O
n4:duvernostUdaju
n15:S
n4:entitaPredkladatele
n14:predkladatel
n4:idSjednocenehoVysledku
28089
n4:idVysledku
RIV/00216305:26210/14:PU112630
n4:jazykVysledku
n16:eng
n4:klicovaSlova
ab initio calculations, elastic stability, phonon instability, theoretical strength, hydrostatic loading, uniaxial loading
n4:klicoveSlovo
n8:hydrostatic%20loading n8:ab%20initio%20calculations n8:theoretical%20strength n8:phonon%20instability n8:elastic%20stability n8:uniaxial%20loading
n4:kontrolniKodProRIV
[206CF3119F5E]
n4:obor
n12:BM
n4:pocetDomacichTvurcuVysledku
2
n4:pocetTvurcuVysledku
3
n4:projekt
n17:ED1.1.00%2F02.0068
n4:rokUplatneniVysledku
n10:2014
n4:tvurceVysledku
Černý, Miroslav Řehák, Petr Šob, Mojmír
n9:organizacniJednotka
26210