| ČERNÝ, Miroslav, Mojmír ŠOB, Jaroslav POKLUDA and Pavel ŠANDERA. Ab initio calculations of ideal tensile strength and mechanical stability in copper. J. Phys. Condens. Matter. IOP Publishing Ltd, 2004, vol. 16, No 7, p. 1045-1052. ISSN 0953-8984. |
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@article{566887,
author = {Černý, Miroslav and Šob, Mojmír and Pokluda, Jaroslav and Šandera, Pavel},
article_number = {7},
keywords = {ab initio calculations; theoretical strength; metals},
language = {cze},
issn = {0953-8984},
journal = {J. Phys. Condens. Matter},
title = {Ab initio calculations of ideal tensile strength and mechanical stability in copper},
volume = {16},
year = {2004}
}
TY - JOUR
ID - 566887
AU - Černý, Miroslav - Šob, Mojmír - Pokluda, Jaroslav - Šandera, Pavel
PY - 2004
TI - Ab initio calculations of ideal tensile strength and mechanical stability in copper
JF - J. Phys. Condens. Matter
VL - 16
IS - 7
SP - 1045-1052
EP - 1045-1052
PB - IOP Publishing Ltd
SN - 09538984
KW - ab initio calculations
KW - theoretical strength
KW - metals
N2 - Simulation of a tensile test of copper crystal along the [001] direction is performed using the Vienna ab initio simulation package (VASP). Stability conditions for uniaxially loaded system are presented and analysed and the ideal (theoretical) tensile strength for the loading along the [001] direction is determined to be 9.4 GPa in tension and 3.5 GPa in compression. A comparison with experimental values is performed.
ER -
ČERNÝ, Miroslav, Mojmír ŠOB, Jaroslav POKLUDA and Pavel ŠANDERA. Ab initio calculations of ideal tensile strength and mechanical stability in copper. \textit{J. Phys. Condens. Matter}. IOP Publishing Ltd, 2004, vol.~16, No~7, p.~1045-1052. ISSN~0953-8984.
|
