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Molecular dynamics simulation of argon cluster ion collisions with argon atoms
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms ( IF 1.3 ) Pub Date : 2020-05-13 , DOI: 10.1016/j.nimb.2020.05.004
V.V. Sirotkin

The process of collisions of accelerated argon cluster ions with residual gas atoms was analyzed by molecular dynamic simulation. The cluster ions under consideration had an icosahedral structure. Their initial temperature was assumed to be equal to 35 K. The influence of the value of accelerating potential and initial size of cluster ions on the results of their impact breaking is investigated. The number of atoms in cluster ions varied from 309 to 1415. The accelerating potential value varied in the range from 10 to 100 keV. An evolution of cluster ions after the collision was observed for 1.51 μs. The simulation showed that after collisions, fragments of cluster ions can be survived, whose size, temperature and phase state (partial or complete melting) are determined by the ratio of the two above-mentioned parameters. Subsequent intensive evaporative cooling of these fragments leads to the full recovery of an ordered structure in them: icosahedral or crystalline. By the end of the considered time interval, temperature and size decrease of the fragments due to evaporation significantly slows down. It was also found that with weak or moderate damage of cluster ions, the processes occurring at the initial stage of the fragment formation (several dozen picoseconds) have a vibration nature. The frequency of these vibrations in the considered variants was in the range of 220–285 GHz. In addition, the parameters for atom scattering both knocked out from cluster ions at collisions and those leaving the fragments during evaporation were determined. The simulation results were used to investigate the formation process of so-called accelerated neutral atom beams, which arise by interaction of gas cluster ion beams with residual gas. Assumptions were made about the composition of the formed beams.



中文翻译:

氩团簇离子与氩原子碰撞的分子动力学模拟

通过分子动力学模拟分析了加速氩团簇离子与残留气体原子的碰撞过程。所考虑的簇离子具有二十面体结构。假定它们的初始温度等于35K。研究了加速电势值和簇离子的初始大小对其冲击破坏结果的影响。簇离子中的原子数在309至1415之间变化。加速电位值在10至100 keV之间变化。碰撞后,簇离子的演化持续了1.51μs。模拟表明,碰撞后,簇离子碎片可以保留下来,其大小,温度和相态(部分或完全熔化)由上述两个参数之比决定。随后对这些碎片进行强烈的蒸发冷却,可以完全恢复其中的有序结构:二十面体或晶体。在所考虑的时间间隔结束时,由于蒸发而导致的碎片温度和尺寸减小明显减慢。还发现,由于团簇离子受到弱或中等的破坏,在碎片形成的初始阶段(几十皮秒)发生的过程具有振动性质。在考虑的变体中,这些振动的频率在220–285 GHz的范围内。此外,确定了原子碰撞时从簇离子中剔除的原子散射参数和蒸发过程中离开碎片的参数。仿真结果用于研究所谓的加速中性原子束的形成过程,这是由于气体团簇离子束与残留气体的相互作用而产生的。关于所形成的梁的组成进行了假设。

更新日期:2020-05-13
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