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ČERNÝ, M. POKLUDA, J.
Original Title
Stability of FCC crystals under hydrostatic loading
Type
journal article - other
Language
English
Original Abstract
Elastic moduli of three perfect fcc crystals (Al, Cu, Ag) are calculated via ab initio study of the energy changes under an hydrostatic strain imposed to the crystal system. Stability conditions for the system are expressed in terms of the computed elastic moduli (the bulk modulus, tetragonal and trigonal shear moduli) and system stability is analyzed along whole deformation path from the minimum up to the inflection point of the dependence of the total energy on the volume. Theoretical tensile strength under hydrostatic loading is evaluated as a stress at the first onset of instability. The calculated values of the elastic moduli and the equilibrium lattice parameters agree well with available experimental data.
Keywords
Metals; Crystal structure and symmetry; Elasticity; Strain; High pressure
Authors
ČERNÝ, M.; POKLUDA, J.
RIV year
2004
Released
1. 1. 2004
ISBN
0925-8388
Periodical
Journal of Alloys and Compounds
Year of study
378
Number
1-2
State
Swiss Confederation
Pages from
159
Pages to
162
Pages count
4
BibTex
@article{BUT42330, author="Miroslav {Černý} and Jaroslav {Pokluda}", title="Stability of FCC crystals under hydrostatic loading", journal="Journal of Alloys and Compounds", year="2004", volume="378", number="1-2", pages="159--162", issn="0925-8388" }