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The effects of Fe substrate orientations on Cu55 cluster deposition with different incident energies
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms ( IF 1.4 ) Pub Date : 2021-04-06 , DOI: 10.1016/j.nimb.2021.03.015
Yiwen He , Shixu Zhang , Luanxuan He , Xuejian Wang , Zhijun Zheng , Huiwei Liu , Gongping Li , Hongfei Zhang

The deposition of Cu55 cluster with incident energies ranging from 0.1 to 10.0 eV/atom on Fe(0 0 1), Fe(0 1 1) and Fe(1 1 1) substrates was investigated by molecular dynamics simulation at 300 K. The mechanism of the substrate crystal orientations on the cluster deposition with different incident energies was studied by snapshot and some statistics values of the cluster. The simulation results show that Fe substrate crystal orientations have a significant influence on cluster deposition, and this influence mechanism is different with the change of the cluster incident energy. The arrangement of surface atoms of the substrates and the distribution of high atomic density regions in the three oriented Fe substrates are the main reason for the difference in cluster deposition. Cu55 cluster deposition on the Fe(0 1 1) substrate has a higher structure, lower spreading index in the XY plane, and higher interaction potential energy between cluster and substrate subsystems than the cluster with the same incident energy deposition on the other oriented substrates.



中文翻译:

Fe衬底取向对不同入射能量下Cu 55团簇沉积的影响

Fe(0 0 1),Fe(0 1 1)和Fe(1 1 )上入射能量范围为0.1至10.0 eV /原子的Cu 55团簇沉积      1)通过分子动力学模拟在300 K下研究了衬底。通过快照和该簇的一些统计值研究了在具有不同入射能量的簇沉积上衬底晶体取向的机理。仿真结果表明,Fe衬底晶体取向对团簇沉积有重要影响,并且这种影响机理随团簇入射能的变化而不同。衬底的表面原子的排列以及三种取向的Fe衬底中高原子密度区域的分布是造成簇沉积不同的主要原因。Cu 55团簇沉积在Fe(0  1 1)与在其他定向基板上具有相同入射能量沉积的群集相比,基板具有更高的结构,在XY平面上的更低的扩展指数以及群集和基板子系统之间的更高的交互势能。

更新日期:2021-04-08
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