Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F11%3A00050631" target="_blank" >RIV/00216224:14310/11:00050631 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1002/srin.201000264" target="_blank" >http://dx.doi.org/10.1002/srin.201000264</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/srin.201000264" target="_blank" >10.1002/srin.201000264</a>

Result language
angličtina
Original language name
Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:
Original language description
The focus of the present paper is on ab initio approaches to the elasticity of materials. First, the methodology to determine single-crystalline elastic constants and polycrystalline moduli of ordered compounds as well as disordered alloys is introduced.In the second part, the methodology is applied on Fe, with a main focus on investigating the influence of magnetism on its elasticity and phase stability and simulating extreme loading conditions that go up to the theoretical tensile strength limits andbeyond.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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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)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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