A. A. Kistanov, S. V. Dmitriev, A. S. Semenov, V. I. Dubinko, D. A. Terent'ev, “Interaction of propagating discrete breathers with a vacancy in a two-dimensional crystal”, Pisma v Zhurnal Tekhnicheskoi Fiziki, 2014, Volume 40, Issue 15,Pages <nobr>58

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Interaction of propagating discrete breathers with a vacancy in a two-dimensional crystal

A. A. Kistanov^a, S. V. Dmitriev^ab, A. S. Semenov^c, V. I. Dubinko^d, D. A. Terent'ev^e

^a Institute for Metals Superplasticity Problems of RAS, Ufa
^b Peter the Great St. Petersburg Polytechnic University
^c Mirnyi Polytechnic Institute (branch of the North-Eastern Federal University in Mirnyi)
^d National Science Centre Kharkov Institute of Physics and Technology
^e SCK-CEN, Nuclear Materials Science Institute, Boeretang 200, Mol, B2400, Belgium

Abstract: The interaction of discrete breathers (DBs) propagating along a close-packed atomic row with a vacancy situated in the same row has been studied by molecular dynamics in a two-dimensional monoatomic crystal with the Morse interatomic potential. It is established that DBs moving at a velocity below a certain threshold exhibit elastic repulsion from the vacancy, while DBs with velocities above this threshold are scattered on the vacancy. The interaction of DBs with a vacancy decreases the energy barrier for vacancy migration in the crystal.

Received: 13.03.2014