Computer simulation of nonlinear localized vibrational modes of large amplitude in the crystal Pt3Al with bivacancies Pt

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By method of molecular dynamics investigated the interaction of nonlinear localized modes with bivacancies Pt crystal Pt3Al. 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
Citation in English: Zakharov P.V., Eremin A.M., Starostenkov M.D., Markidonov A.V. Computer simulation of nonlinear localized vibrational modes of large amplitude in the crystal Pt3Al with bivacancies Pt // Computer Research and Modeling, 2015, vol. 7, no. 5, pp. 1089-1096
Citation in English: Zakharov P.V., Eremin A.M., Starostenkov M.D., Markidonov A.V. Computer simulation of nonlinear localized vibrational modes of large amplitude in the crystal Pt3Al with bivacancies Pt // Computer Research and Modeling, 2015, vol. 7, no. 5, pp. 1089-1096
DOI: 10.20537/2076-7633-2015-7-5-1089-1096
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