Phonon stability of fcc crystals under hydrostatic loading

Kód výsledku v 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>

Nalezeny alternativní kódy

RIV/00216305:26210/12:PU100808

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Phonon stability of fcc crystals under hydrostatic loading

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

Phonon stability of fcc crystals under hydrostatic loading

Popis výsledku anglicky

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

Druh

O - Ostatní výsledky

CEP obor

BM - Fyzika pevných látek a magnetismus

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

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

Rok uplatnění

2012

Kód důvěrnosti údajů

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