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Energy exchange in M -crowdion clusters in 2D Morse lattice
The European Physical Journal B ( IF 1.6 ) Pub Date : 2020-09-02 , DOI: 10.1140/epjb/e2020-10160-0
Igor A. Shepelev , Dmitry V. Bachurin , Elena A. Korznikova , Sergey V. Dmitriev

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.

Graphical abstract



中文翻译:

二维摩尔斯晶格中M形群中的能量交换

摘要

新型M孤子和M人群的动力学,此处为M= 3是原子在其中移动的相邻密集原子排的数量,使用经典的分子动力学模拟在二维三角形莫尔斯格子中进行了研究。通过给沿行的三个相邻紧密堆积原子行中的三个原子赋予初始速度,可以激发3孤子/ 3群。考虑了初始速度之间的不同关系:所有三个初始速度都相等,中间原子的初始速度低于最外侧原子的初始速度,并且所有三个速度都不同。在3孤子的传播过程中,原子不会克服势垒,不会弛豫回到其原始晶格位置。3原子团的传播导致原子沿移动方向移动到相邻的晶格位置。发现3-孤子/ 3-拥挤簇的传播与相邻原子行之间的能量交换有关。确定发生最大能量交换的初始能量之间的比率。能量从高能原子行转移到低能原子行。在所有三行中的初始速度都不同的情况下,3孤子/ 3拥挤簇的动力学不稳定。获得的结果可以更好地了解间隙缺陷簇的动态。在所有三行中的初始速度都不同的情况下,3孤子/ 3拥挤簇的动力学不稳定。获得的结果可以更好地了解间隙缺陷簇的动态。在所有三行中的初始速度都不同的情况下,3孤子/ 3拥挤簇的动力学不稳定。获得的结果可以更好地了解间隙缺陷簇的动态。

图形概要

更新日期:2020-09-02
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