Methods for the Simulation of the Slowing of Low-Energy Electrons in Water

J Comput Chem. 2018 Oct 5;39(26):2217-2225. doi: 10.1002/jcc.25536. Epub 2018 Sep 20.

Abstract

A computational Monte Carlo simulation approach for modeling the thermalization of low-energy electrons is presented. The simulation methods rely on, and use, experimentally based cross sections for elastic and inelastic collisions. To demonstrate the different simulation options, average numbers of interactions and the range of low-energy electrons with initial energies ranging from 1 to 20 eV are calculated for density normalized gaseous water. Experimental gas-phase cross sections for (subexcitation) electrons of energies in the range of 1-20 eV were taken from the compilation of Hayashi. The ballistic collision-by-collision simulations provide information on the intricacies of the thermalization processes not available experimentally. © 2018 Wiley Periodicals, Inc.

Keywords: Monte Carlo; density normalized gas; simulation; subexcitation electrons; water vapor.