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首页> 外文期刊>The Astrophysical journal >A MOLECULAR DYNAMICS STUDY ON SLOW ION INTERACTIONS WITH THE POLYCYCLIC AROMATIC HYDROCARBON MOLECULE ANTHRACENE
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A MOLECULAR DYNAMICS STUDY ON SLOW ION INTERACTIONS WITH THE POLYCYCLIC AROMATIC HYDROCARBON MOLECULE ANTHRACENE

机译:慢速离子与多环芳烃分子蒽相互作用的分子动力学研究

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摘要

Atomic collisions with polycyclic aromatic hydrocarbon (PAH) molecules are astrophysically particularly relevant for collision energies of less than 1?keV. In this regime, the interaction dynamics are dominated by elastic interactions. We have employed a molecular dynamics simulation based on analytical interaction potentials to model the interaction of low energy hydrogen and helium projectiles with isolated anthracene (C14H10) molecules. This approach allows for a very detailed investigation of the elastic interaction dynamics on an event by event basis. From the simulation data the threshold projectile kinetic energies above which direct C atom knock out sets in were determined. Anthracene differential energy transfer cross sections and total (dissociation) cross sections were computed for a wide range of projectile kinetic energies. The obtained results are interpreted in the context of PAH destruction in astrophysical environments.
机译:与多环芳烃(PAH)分子的原子碰撞在天体上与小于1?keV的碰撞能量特别相关。在这种情况下,相互作用动力学主要由弹性相互作用决定。我们已经基于分析相互作用势进行了分子动力学模拟,以模拟低能氢和氦射弹与孤立的蒽(C14H10)分子的相互作用。这种方法可以对每个事件的弹性相互作用动力学进行非常详细的研究。从模拟数据确定阈值射弹动能,高于该阈值的直接C原子敲入。计算了一系列射弹动能的蒽微分能量转移截面和总(解离)截面。在天体环境中多环芳烃的破坏背景下解释了获得的结果。

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