Phonon stability of fcc crystals under hydrostatic loading

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26210%2F12%3APU100806" target="_blank" >RIV/00216305:26210/12:PU100806 - isvavai.cz</a>
Alternative codes found
RIV/00216305:26210/12:PU100808
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Phonon stability of fcc crystals under hydrostatic loading
Original language description
The theoretical strength corresponds to the stress associated with failure of crystal structure, i.e. the first occurrence of mechanical instability. The theoretical strength under hydrostatic tension represents property of material that can be obtainedsolely by convenient computational approaches. On the other hand, their values are useful, e.g., for the crack stability assessments in solid crystals since the stress state at the crack tip corresponds to triaxial tension. In this work we study stability of four fcc crystals (Al, Ir, Pt, and Au) under isotropic (hydrostatic) tensile loading from first principles. The aim is to show that cubic crystals, when subjected to isotropic tensile loading, can become dynamically or elastically unstable before the maximum isotropic stress is reached. A relevant analysis of elastic stability conditions is also performed and the results obtained by means of both approaches are compared. Method. The first principles code Abinit is employed for this
Czech name
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Czech description
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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