Manifestation of instability in clusters of high-amplitude excitations crystal lattice of composition A3B

Abstract

Currently, various processes associated with the operation and production of materials are increasingly associated with the presence of the crystal lattice in a state far from equilibrium. In this case, the processes of localization of the energy present in the material in such cases are of particular importance. In some cases, the localization of all energy in the lattice can occur on one or several particles, which in turn increases the probability of the formation of a topological defect that can affect the properties of materials. In this vein, the effects of self-organization are among the most promising for the study of phenomena. Objects such as discrete breathers and their clusters represent a large scope for research in this aspect. In this work, a molecular dynamics study of the process of self-organization in the system is carried out. Clusters of breathers obtained by removing the atoms of the light sublattice in a Pt3Al crystal from equilibrium are considered. Numerical characteristics are obtained for various initial states of the simulation. The data obtained may indicate that the transfer of energy from some breathers to others leads not so much to a decrease in their number as to an increase in the life of a part of the oscillations. There is a kind of replenishment of some at the expense of others, which is a manifestation of the self-organization of the system of nonlinear oscillators. Anomalies in the distribution of atomic vibration amplitudes are revealed, indicating the possibility of the formation of unstable discrete excitations along different crystallographic directions. The evolution of the system can lead to dynamic clustering (distribution) of high-amplitude excitations for concentrations of more than 25% of excited atoms. The results obtained can be useful in studying the interaction of solitons.