多粒子相互作用对碳纳米管中低能离子输运性质的影响

E.A. Vorobyeva, A.V. Stepanov, A.P. Evseev
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引用次数: 0

摘要

利用分子动力学的方法,研究了多粒子相互作用在碳纳米管中低能离子动力学中的意义,说明了在相应的分子动力学计算中考虑多粒子相互作用的必要性。研究了碳纳米管壁的弹性扰动对碳纳米管通道内离子运动的影响。研究发现,当离子速度接近微扰传播速度时,考虑碳纳米管壁扰动对离子运动的影响,离子能量损失降低了1.5 ~ 3倍。研究还表明,随着碳纳米管壁热波动幅度的减小(就离子的能量损失而言),移动离子与碳纳米管壁扰动之间的相互作用变得更加单调。在考虑的模型框架内,与由于与纳米管原子的弹性碰撞而导致的离子能量损失相比,与形成碳纳米管壁的原子结合的电子气体的停止能力很小。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Effect of Many-Particle Interactions on the Transport Properties of Low-Energy Ions in Carbon Nanotubes
Using the method of molecular dynamics, the significance of many-particle interactions in the dynamics of low-energy ions in carbon nanotubes is studied, and the necessity of taking into account such interactions in the corresponding molecular dynamics calculations is shown. The effect of elastic perturbations of the carbon nanotube wall on the motion of ions inside the nanotube channel has been studied. It was found that the ion energy losses decrease by a factor of 1.5–3 when the influence of the perturbation of the carbon nanotube wall on the motion of ions is taken into account when the ion velocity approaches the perturbation propagation velocity. It has also been shown that the effect of the interaction between moving ions and perturbations of the carbon nanotube wall becomes more monotonic with a decrease in the magnitude of thermal fluctuations of the nanotube wall, in terms of energy losses by ions. Within the framework of the model under consideration, the stopping power of the electron gas bound to the atoms that form the walls of a carbon nanotube is small compared to the energy losses of ions due to elastic collisions with nanotube atoms.
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