Nonlinear supratransmission in a Pt3Al crystal at intense external influence

• Published in: Kompʹûternye issledovaniâ i modelirovanie (Online) Vol. 11; no. 1; pp. 109 - 117
• Main Authors: Cherednichenko, Anton Ivanovich, Zakharov, Pavel Vasilievich, Starostenkov, Mikhail Dmitrievich, Sysoeva, Margarita Olegovna, Eremin, Aleksandr Mikhailovich
• Format: Journal Article
• Language: English; Russian
• Published: Institute of Computer Science 01.02.2019
• Subjects: discrete breather; nonlinear dynamics; nonlinear supratransmission; quasi-breather; soliton
• ISSN: 2076-7633; 2077-6853
• DOI: 10.20537/2076-7633-2019-11-1-109-117

The effect of the nonlinear supratransmission in crystal of A3B stoichiometry is studied by molecular dynamics on the example of Pt3Al alloy. This effect is the transfer of energy at frequencies outside the phonon spectrum of the crystal. Research of the mechanisms of energy transport from the material surface to the interior is the important task, both from the theoretical point of view and from the prospects for practical application in the modification of near-surface layers by treatment with intense external influence of various types. The model was a three-dimensional face-centered cubic crystal whose atoms interact by means of the multiparticle potential obtained by the embedded atom method, which provides greater realism of the model in comparison with the use of pair potentials. Various forms of oscillation of the external influence region are considered. The possibility of energy transport from the crystal surface to the interior is shown by excitation of quasi-breathers near the region of influence and their subsequent destruction in the crystal and scattering of the energy stored on them. The quasibreathers are high-amplitude nonlinear atoms' oscillations of the alloy lightweight component at frequencies outside the phonon spectrum of the crystal. This effect was observed not with every oscillation's form of the region of influence. Quasi-breathers appeared most intensely near the region of influence with sinusoidal form oscillations. The results obtained indicate that the contribution of quasi-breathers to the energy transfer through the crystal increases with increasing amplitude of the influence. The range of amplitudes from 0.05 to 0.5 Å is considered. The frequency of the influence varied from 0.2 to 15 THz, which ensured the coverage of the entire spectrum of lowamplitude oscillations for this crystal's model. The minimum magnitude of the external effect amplitude at which this effect was observed was found to be 0.15 Å. At amplitudes greater than 0.5 Å, the cell rapidly decays for frequencies close to the optical branch of the phonon spectrum. The results of the study can be useful for laser processing of materials, surface treatment by low-energy plasma, and also in radiation materials science.