Dynamic stability of Ni fcc crystal under isotropic tension

0484583 - ÚFM 2018 RIV CH eng C - Conference Paper (international conference)
Řehák, Petr - Černý, M.
Dynamic stability of Ni fcc crystal under isotropic tension.
MATERIALS STRUCTURE & MICROMECHANICS OF FRACTURE VII. Zurich: Trans Tech Publications, 2014 - (Šandera, P.), s. 47-50. Key Engineering Materials, 592-593. ISBN 978-3-03785-934-6. ISSN 1013-9826.
[MSMF 7 - International Conference on Materials Structure and Micromechanics of Fracture /7./. Brno (CZ), 01.07.2013-03.07.2013]
R&D Projects: GA MŠMT(CZ) ED1.1.00/02.0068
Institutional support: RVO:68081723
Keywords : lattice dynamics * phonon instability * isotropic loading * ab initio calculations
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)

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.
Permanent Link: http://hdl.handle.net/11104/0279777