Energy exchange in M -crowdion clusters in 2D Morse lattice
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THE EUROPEAN PHYSICAL JOURNAL B
Regular Article
Energy exchange in M -crowdion clusters in 2D Morse lattice Igor A. Shepelev 1,a , Dmitry V. Bachurin 2,3 , Elena A. Korznikova 3,4 , and Sergey V. Dmitriev 3,5 1 2
3 4 5
Department of Physics, Saratov State University, 83 Astrakhanskaya Street, Saratov 410012, Russia Institute for Applied Materials – Applied Materials Physics, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen 76344, Germany Institute for Metals Superplasticity Problems of RAS, Ufa 450001, Russia Ufa State Aviation Technical University, Ufa 450008, Russia Institute of Molecule and Crystal Physics, Ufa Federal Research Center of RAS, Ufa 450075, Russia Received 27 March 2020 / Received in final form 22 June 2020 Published online 2 September 2020 c EDP Sciences / Societ`
a Italiana di Fisica / Springer-Verlag GmbH Germany, part of Springer Nature, 2020 Abstract. Dynamics of new class of M -solitons and M -crowdions, here M = 3 is the number of adjacent close-packed atomic rows where the atoms move, are studied in two-dimensional triangular Morse lattice using classical molecular dynamics simulations. 3-solitons/3-crowdions are excited by giving initial velocities to the three atoms in three neighboring close-packed atomic rows along the rows. Different relations between the initial velocities are considered: all three initial velocities are equal, initial velocity for the middle atom is lower than for the outermost atoms, and all three velocities are different. During propagation of a 3-soliton the atoms do not overcome potential barrier and relax back to their original lattice sites. Propagation of a 3-crowdion results in the shift of the atoms to the neighboring lattice sites along the direction of movement. It is found that propagation of 3-soliton/3-crowdion clusters is associated with the energy exchange between the adjacent atomic rows. The ratio between the initial energies, at which the maximum energy exchange occurs, is determined. The energy is transferred from the high-energy atomic rows to the low-energy one. In the case when initial velocities in all three rows are different, the dynamics of 3-soliton/3-crowdion clusters is unstable. Obtained results allow to better understand the dynamics of interstitial defect clusters.
1 Introduction Interaction with high-energy particles [1–7], plastic deformation [8–14], heat treatment [15] result in a formation of point defects (vacancies, interstitials and their complexes). Vacancy concentration in thermal equilibrium is significantly higher than that of self-interstitial atoms because the formation energy of the latter is higher. Under non-equilibrium conditions the role of interstitial atoms dramatically increases, and they can form configurations (interstitial clusters), which are at local potential energy minima and, at the same time, have a high mobility [16–25]. Crowdion is an interstitial atom located in a close-packed atomic row; it is characterized by relatively low potential energy [26,27] and very high mobility [16,28– 30].
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