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首页> 外文期刊>Russian journal of physical chemistry, B. >Statistical characteristics of the motion of a pair of heavy ions in non-convex cavities of complicated geometry with fixed crosspieces and charges
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Statistical characteristics of the motion of a pair of heavy ions in non-convex cavities of complicated geometry with fixed crosspieces and charges

机译:具有固定横档和电荷的复杂几何形状的非凸腔中一对重离子运动的统计特征

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摘要

Using the method of classical trajectories, the motion of a pair of ions Cs+ and Cl- in three non-convex closed cavities of complicated geometry containing neutral cylindrical "crosspieces" and charged spherical "nuclei" is simulated. The collisions of the ions with the cavity boundary, crosspieces, and nuclei are supposed to be inelastic. The signs of the charges of the nuclei are varied. In each cavity, in one of the calculation series, the nuclei are assumed to be shielded (to carry charges smaller than 1 a.u. in absolute value), whereas in another calculation series, the possibility of the mutual neutralization of an ion and an oppositely charged nucleus at their encounter is taken into account. The statistics of various events, such as the "stickings" of ions to nuclei, neutralizations of ions and nuclei, collisions of ions with obstacles, recombinations of ions, and dissociations of the CsCl ionic-bond molecule are analyzed.
机译:使用经典轨迹方法,模拟了一对离子Cs +和Cl-在包含中性圆柱“横梁”和带电球形“核”的复杂几何形状的三个非凸封闭腔中的运动。离子与腔边界,横档和原子核的碰撞被认为是无弹性的。原子核电荷的迹象是多种多样的。在每个腔中,在一个计算序列中,假定原子核被屏蔽(携带的绝对值小于1 au的电荷),而在另一个计算序列中,离子与相反电荷的电荷相互中和的可能性他们相遇时的核被考虑在内。分析了各种事件的统计数据,例如离子对核的“粘附”,离子和核的中和,离子与障碍的碰撞,离子的复合以及CsCl离子键分子的解离。

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