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JOURNALS // Chemical Physics and Mesoscopics // Archive

CPM, 2016 Volume 18, Issue 1, Pages 114–121 (Mi chphm261)

Interstitial atoms influence on the quasi breather modes in the A$_3$B stoichiometry crystal with morse interaction

P. V. Zakharova, A. M. Eremina, M. D. Starostenkovb

a Altai State Academy of Education, Biysk, Russia
b Altai State Technical University, Barnaul, Russia

Abstract: In this article by the method of molecular dynamics the influence of the interstitial Al atom placed into the tetrahedral and octahedral vacuums on the behavior of quasi-breather mode in the stoichiometry A$_3$B crystal, Pt$_3$Al as an example. It is obtained the dependence of the quasi-breather mode oscillation frequency on the value of the lattice distortion along the chosen direction. It is established the duration of quasi-breather mode lifetime along different crystallographic directions with the defects presence.

Keywords: molecular dynamics, quasi-breather mode, tetrahedral vacuum, octahedral vacuum, discrete breather, nonlinear dynamics.

UDC: 538.913



© Steklov Math. Inst. of RAS, 2024