低能带电粒子在Percus-Yevick液体中输运相干散射效应的改进Monte Carlo研究
An improved Monte Carlo study of coherent scattering effects of low energy charged particle transport in Percus-Yevick liquids
摘要：
我们推广了一个简单的蒙特卡罗（MC）模型，考虑在高度非平衡条件下的Percus-Yevick模型液体中的正电子和电子的输运行为的稀气体，会计严格的相干散射过程。该方法扩展了现有技术[Wojcik和Tachiya，Chem.Phys.Lett. 363，3- 4（1992）]，使用静态结构因子来解释结构化材料中相干散射的改变的各向异性。我们确定的影响，在原来的方法中使用的近似，并开发一个修改后的方法，不需要近似。我们还提出了一个增强的MC技术，已被设计为提高在空间变化的电场模拟的准确性和灵活性。所有的结果被发现是在一个独立的多项玻尔兹曼方程的解决方案，为未来的传输模型在液体和结构系统的基准非常一致。
英文摘要：
We generalize a simple Monte Carlo (MC) model for dilute gases to consider the transport behavior of positrons and electrons in Percus-Yevick model liquids under highly non-equilibrium conditions, accounting rigorously for coherent scattering processes. The procedure extends an existing technique [Wojcik and Tachiya, Chem. Phys. Lett. 363, 3--4 (1992)], using the static structure factor to account for the altered anisotropy of coherent scattering in structured material. We identify the effects of the approximation used in the original method, and develop a modified method that does not require that approximation. We also present an enhanced MC technique that has been designed to improve the accuracy and flexibility of simulations in spatially-varying electric fields. All of the results are found to be in excellent agreement with an independent multi-term Boltzmann equation solution, providing benchmarks for future transport models in liquids and structured systems.
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