Mechanical stability of cubic crystals under hydrostatic and uniaxial loading

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26210%2F14%3APU112630" target="_blank" >RIV/00216305:26210/14:PU112630 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Mechanical stability of cubic crystals under hydrostatic and uniaxial loading

Original language 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 fi

Czech name

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Czech description

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Type

O - Miscellaneous

CEP classification

BM - Solid-state physics and magnetism

OECD FORD branch

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Project

<a href="/en/project/ED1.1.00%2F02.0068" target="_blank" >ED1.1.00/02.0068: Central european institute of technology</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2014

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů