Energy transport in an A3B crystal with intense external exposure at frequencies outside the crystal spectrum

International Workshop "Advanced Technologies in Material Science, Mechanical and Automation Engineering – MIP: Engineering – 2019"

材料科学;机械制造;原子能学

Zakharov, P.V.^1 ; Starostenkov, M.D.^2 ; Eremin, A.M.^1

Shukshin Altai State University for Humanities and Pedagogy, 53 Vladimira Korolenko St., Biysk

659333, Russia^1

Polzunov Altai State Technical University, 46 Lenina ave., Barnaul

656038, Russia^2

关键词: Crystal surfaces;    Energy transport;    External exposure;    External influences;    Face centered cubic crystals;    Molecular dynamics methods;    Nonlinear supratransmission;    Sinusoidal waveforms;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/537/2/022031/pdf
DOI  :  10.1088/1757-899X/537/2/022031

学科分类：材料科学（综合）

来源: IOP

【 摘 要 】

The molecular dynamics method is used to consider the effect of energy transport in an A3B stoichiometry crystal, using Pt3Al as an example, which consists in the transfer of energy at frequencies outside the phonon spectrum of the crystal. This effect is called the effect of nonlinear supratransmission. The model was a bulk face-centered cubic crystal, the atoms of which interacted through a multi-particle potential, obtained by the immersed atom method. Different forms of oscillation of the region of external influence are considered. The possibility of transporting energy from the crystal surface into the depths by means of excitation of quasi-breathers near the impact area and their subsequent destruction in a crystal and dissipation of energy, stored on them, is shown. The quasi-breathers most intensely occurred near the impact region with a sinusoidal waveform. The results obtained indicate that the contribution of quasi-breathers to the energy transfer through the crystal, increases with increasing exposure amplitude. The minimum amplitude of the external influence, at which this effect was observed, is established. The results of the study can be useful in creating materials with predetermined properties, through various intensive external influences.