| FRIÁK, Martin, T. HICKEL, F. KORMANN, A. UDYANSKY, Mojmír ŠOB, A. DICK, J. VON PEZOLD, D. MA, O. KIM, W.A. COUNTS, D. GEBHARDT, D. MUSIC, J. SCHNEIDER, D. RAABE a J. NEUGEBAUER. Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:. STEEL RESEARCH INTERNATIONAL. 2011, roč. 82, č. 2, s. 86-100. ISSN 1611-3683. Dostupné z: https://dx.doi.org/10.1002/srin.201000264. |
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@article{976772,
author = {Friák, Martin and Hickel, T. and Kormann, F. and Udyansky, A. and Šob, Mojmír and Dick, A. and von Pezold, J. and Ma, D. and Kim, O. and Counts, W.A. and Gebhardt, D. and Music, D. and Schneider, J. and Raabe, D. and Neugebauer, J.},
article_number = {2},
doi = {http://dx.doi.org/10.1002/srin.201000264},
keywords = {Ab initio calculations; electronic structure; elasticity; strength},
language = {eng},
issn = {1611-3683},
journal = {STEEL RESEARCH INTERNATIONAL},
title = {Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:},
volume = {82},
year = {2011}
}
TY - JOUR
ID - 976772
AU - Friák, Martin - Hickel, T. - Kormann, F. - Udyansky, A. - Šob, Mojmír - Dick, A. - von Pezold, J. - Ma, D. - Kim, O. - Counts, W.A. - Gebhardt, D. - Music, D. - Schneider, J. - Raabe, D. - Neugebauer, J.
PY - 2011
TI - Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:
JF - STEEL RESEARCH INTERNATIONAL
VL - 82
IS - 2
SP - 86-100
EP - 86-100
SN - 16113683
KW - Ab initio calculations
KW - electronic structure
KW - elasticity
KW - strength
N2 - 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 and beyond.
ER -
FRIÁK, Martin, T. HICKEL, F. KORMANN, A. UDYANSKY, Mojmír ŠOB, A. DICK, J. VON PEZOLD, D. MA, O. KIM, W.A. COUNTS, D. GEBHARDT, D. MUSIC, J. SCHNEIDER, D. RAABE a J. NEUGEBAUER. Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:. \textit{STEEL RESEARCH INTERNATIONAL}. 2011, roč.~82, č.~2, s.~86-100. ISSN~1611-3683. Dostupné z: https://dx.doi.org/10.1002/srin.201000264.
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