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ČERNÝ, M. ŠOB, M. POKLUDA, J. ŠANDERA, P.
Original Title
Ab initio calculations of ideal tensile strength and mechanical stability in copper
Type
journal article - other
Language
English
Original Abstract
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.
Keywords
ab initio, elastic stability, theoretical strength, copper, uniaxial loading
Authors
ČERNÝ, M.; ŠOB, M.; POKLUDA, J.; ŠANDERA, P.
RIV year
2004
Released
6. 2. 2004
ISBN
0953-8984
Periodical
Journal of Physics: Condensed Matter
Year of study
16
Number
2
State
United Kingdom of Great Britain and Northern Ireland
Pages from
1045
Pages to
1052
Pages count
8
BibTex
@article{BUT42029, author="Miroslav {Černý} and Mojmír {Šob} and Jaroslav {Pokluda} and Pavel {Šandera}", title="Ab initio calculations of ideal tensile strength and mechanical stability in copper", journal="Journal of Physics: Condensed Matter", year="2004", volume="16", number="2", pages="8", issn="0953-8984" }