P. V. Zakharov, A. M. Eremin, M. D. Starostenkov, A. V. Markidonov, “Computer simulation of nonlinear localized vibrational modes of large amplitude in the crystal Pt<nobr>$_3$</nobr>Al with bivacancies Pt”, Computer Research and Modeling, 2015, Volume 7, Issue 5,Pages <nobr>1089

This article is cited in 2 papers

MODELS IN PHYSICS AND TECHNOLOGY

Computer simulation of nonlinear localized vibrational modes of large amplitude in the crystal Pt$_3$Al with bivacancies Pt

P. V. Zakharov^a, A. M. Eremin^a, M. D. Starostenkov^b, A. V. Markidonov^c

^a The Shukshin Altai State Academy of Education, 53 Korolenko st., Biysk, 659333, Russia
^b Altaysky State Technical University, 46 Lenina st., Barnaul, 656099, Russia
^c Kuzbass State Technical University, 8a/1 Ordzhonikidze st., Novokuznetsk, 654000, Russia

Abstract: By method of molecular dynamics investigated the interaction of nonlinear localized modes with bivacancies Pt crystal Pt$_3$Al. Identified dependences of the lifetime of the nonlinear localized modes from the initial temperature of the crystal model, the initial atom Al deviation from its equilibrium position, as well as the distance to the introduced bivacancy Pt in (111) plane of the crystal.

Keywords: molecular dynamics, discrete breathers, localized mode.

UDC: 538.913

Received: 17.01.2015
Revised: 14.05.2015

DOI: 10.20537/2076-7633-2015-7-5-1089-1096