An improved Monte Carlo study of coherent scattering effects of low energy charged particle transport in Percus-Yevick liquids

TL;DR

This paper extends Monte Carlo models to accurately simulate low-energy charged particle transport in structured liquids, incorporating coherent scattering effects and validating results against Boltzmann equation solutions.

Contribution

It introduces a generalized Monte Carlo approach that rigorously accounts for coherent scattering in Percus-Yevick liquids, improving accuracy over previous models.

Findings

Excellent agreement with Boltzmann solutions validates the method

Enhanced Monte Carlo technique improves accuracy and flexibility

Identifies and addresses limitations of earlier approximations

Abstract

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.