旋转星系团的统计蒸发
Statistical evaporation of rotating clusters
摘要：
采用相空间理论和分子动力学模拟研究了旋转原子团簇中单分子蒸发过程。在球+原子近似下计算了转动态密度，给出了径向相互作用势-C/r^p的解析表达式，用蒙特卡罗模拟计算了振动态密度，用最近推广的多程随机行走算法计算了有限温度下的平均径向势.这些想法进行了测试简单的氩团簇建模与Lennard-Jones（LJ）的相互作用势，在几个总能量和角动量的母集群。我们的研究结果表明，PST成功地再现了模拟数据，不仅平均KER，但其概率分布，从LJ_14的解离，产品集群可以有效地被认为是球形的。即使对于非球形LJ_8的离解，模拟结果仍然非常接近统计理论的预测。
英文摘要：
Unimolecular evaporation in rotating atomic clusters is investigated using phase space theory (PST) and molecular dynamics simulations. The rotational densities of states are calculated in the sphere+atom approximation, and analytical expressions are given for a radial interaction potential with the form -C/r^p. The vibrational densities of states are calculated using Monte Carlo simulations, and the average radial potential at finite temperature is obtained using a recent extension of the multiple range random-walk algorithm. These ideas are tested on simple argon clusters modelled with the Lennard-Jones (LJ) interaction potential, at several total energies and angular momenta of the parent cluster. Our results show that PST successfully reproduces the simulation data, not only the average KER but its probability distribution, for dissociations from LJ_14, for which the product cluster can effectively be considered as spherical. Even for dissociations from the nonspherical LJ_8, simulation results remain very close to the predictions of the statistical theory.
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