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Dynamic Stability of Ni FCC Crystal under Isotropic Tension

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Abstract:

Lattice dynamics and stability of fcc crystal of Ni under isotropic (hydrostatic) tensile loading are studied from first principles using supercell method and a harmonic approximation. According to the results, strength of the crystal is determined by occurrence of an instability related to soft phonons with finite wave vector. On the other hand, the critical strains and stresses associated with such instabilities are only slightly lower than those related to the volumetric instability.

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Periodical:

Key Engineering Materials (Volumes 592-593)

Pages:

47-50

DOI:

https://doi.org/10.4028/www.scientific.net/KEM.592-593.47

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Cite this paper

Online since:

November 2013

Authors:

Petr Řehák, Miroslav Černý

Keywords:

Ab Initio Calculation, Isotropic Loading, Lattice Dynamics, Phonon Instability

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© 2014 Trans Tech Publications Ltd. All Rights Reserved

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