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Methods for the Simulation of the Slowing of Low‐Energy Electrons in Water
Author(s) -
Smith Marisa E.,
Green N. J. B.,
Pimblott S. M.
Publication year - 2018
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.25536
Subject(s) - thermalisation , electron , range (aeronautics) , collision , monte carlo method , physics , inelastic collision , atomic physics , computational physics , energy (signal processing) , statistical physics , nuclear physics , materials science , computer science , quantum mechanics , mathematics , statistics , computer security , composite material
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.