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Methods for the Simulation of the Slowing of Low-Energy Electrons in Water.
Smith, Marisa E; Green, N J B; Pimblott, S M.
Afiliação
  • Smith ME; Dalton Cumbrian Facility, West Lakes Science and Technology Park, Moor Row, CA24 3HA, United Kingdom.
  • Green NJB; School of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL, United Kingdom.
  • Pimblott SM; Department of Physical & Theoretical Chemistry, Oxford University, Oxford, OX1 3PA, United Kingdom.
J Comput Chem ; 39(26): 2217-2225, 2018 Oct 05.
Article em En | MEDLINE | ID: mdl-30238486
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.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Comput Chem Assunto da revista: QUIMICA Ano de publicação: 2018 Tipo de documento: Article País de afiliação: Reino Unido

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Comput Chem Assunto da revista: QUIMICA Ano de publicação: 2018 Tipo de documento: Article País de afiliação: Reino Unido