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单个 trapped ion 在中性浴中的全分子动力学模拟

Full molecular dynamics simulations of a single trapped ion in a neutral bath

Saajid Chowdhury, Ruiren Shi, Jesús Pérez-Ríos

arXiv 2610.09268首次发表:更新:

发表机构

Stony Brook University(石溪大学)

机构由 AI 辅助整理,请以论文原文为准。

AI 中文总结

本研究通过全分子动力学模拟,明确纳入 trapped ion 与中性原子浴的相互作用,发现气体密度微弱影响离子平均动能,短程势特征随密度增强,轻原子浴导致更低的最终动能。

AI 中文摘要

我们提出了全分子动力学模拟,明确纳入了 trapped ion 与中性原子浴之间的同时相互作用。与传统分子动力学处理方法相比,该框架能够系统评估原子气体密度如何影响离子的冷却动力学及其稳态平均动能。我们的结果表明,气体密度可测量地改变了离子的平均动能,尽管仅微弱地,这与标准分子动力学模拟的预测在定性上不一致。此外,计算表明,随着原子密度的增加,原子-离子相互作用势的短程特征变得越来越重要。包含许多原子的模拟产生比标准分子动力学更高的平均动能,我们将这一趋势归因于分子离子复合物的瞬态形成。最后,我们观察到,对于固定的离子,较轻的原子浴导致最终离子平均动能小于较重的原子浴。

英文摘要

We present full molecular dynamics simulations that explicitly incorporate the simultaneous interactions between a trapped ion and a bath of neutral atoms. In contrast to conventional molecular dynamics treatments, this framework enables a systematic assessment of how the atomic-gas density influences both the ion's cooling dynamics and its steady-state mean kinetic energy. Our results show that the gas density measurably modifies the ion's average kinetic energy, albeit only weakly, in qualitative disagreement with predictions obtained from standard molecular dynamics simulations. In addition, the calculations indicate that short-range features of the atom-ion interaction potential become increasingly consequential as the atomic density increases. Simulations including many atoms yield higher mean kinetic energies than standard molecular dynamics, a trend we attribute to the transient formation of molecular-ion complexes. Finally, we observe that for a fixed ion, lighter atomic baths lead to a smaller final ion average kinetic energy than heavier atomic baths.

Comments9 pages, 8 figures

论文原文

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