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

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.

[1]  C. Bromberg,et al.  A study of electron recombination using highly ionizing particles in the ArgoNeuT Liquid Argon TPC , 2013, 1306.1712.

[2]  F. Gianturco,et al.  Resonant dynamics of gas-phase electron-driven reactions: The coronene molecule as a prototype in planetary atmospheres and interstellar clouds , 2012 .

[3]  A. Dell'Acqua,et al.  Geant4 - A simulation toolkit , 2003 .

[4]  B. Abel,et al.  On the nature and signatures of the solvated electron in water. , 2012, Physical chemistry chemical physics : PCCP.

[5]  Alexander M. Bradshaw,et al.  A hitherto unrecognized source of low-energy electrons in water , 2010 .

[6]  A. Hummel,et al.  Computer simulation study of spatial distribution of the ions and electrons in tracks of high-energy electrons and the effect on the charge recombination , 1993 .

[7]  Pierre Cloutier,et al.  Single, double, and multiple double strand breaks induced in DNA by 3-100 eV electrons. , 2003, Journal of the American Chemical Society.

[8]  Alan K. Soper,et al.  Site–site pair correlation functions of water from 25 to 400 °C: Revised analysis of new and old diffraction data , 1997 .

[9]  T. Ueda,et al.  A re-evaluation of the initial yield of the hydrated electron in the picosecond time range , 2005 .

[10]  S. Bradforth,et al.  Excitation-energy dependence of the mechanism for two-photon ionization of liquid H(2)O and D(2)O from 8.3 to 12.4 eV. , 2006, The Journal of chemical physics.

[11]  Hsiao-lu D. Lee,et al.  Low-energy electron-induced reactions in condensed matter , 2010 .

[12]  D. Liljequist.  A study of errors in trajectory simulation with relevance for 0.2 - 50 eV electrons in liquid water , 2008 .

[13]  Timothy W. Marin,et al.  Reaction of OH* radicals with H2 in sub-critical water , 2003 .

[14]  S. Sunder,et al.  XPS studies of UO2 oxidation by alpha radiolysis of water at 100°C☆ , 1990 .

[15]  S. Pimblott,et al.  Monte Carlo Simulation of Range and Energy Deposition by Electrons in Gaseous and Liquid Water , 1996 .

[16]  J. Sempau,et al.  PENELOPE-2006: A Code System for Monte Carlo Simulation of Electron and Photon Transport , 2009 .

[17]  Ann R Kennedy,et al.  Biological Effects of Space Radiation and Development of Effective Countermeasures. , 2014, Life sciences in space research.

[18]  S. Pimblott,et al.  Radiation track structure simulation in a molecular medium , 2001 .

[19]  Piotr Skurski,et al.  Mechanism for Damage to DNA by Low-Energy Electrons † , 2002 .

[20]  Carl Caleman,et al.  Auger electron cascades in water and ice , 2004 .

[21]  S. Pimblott,et al.  Production of low-energy electrons by ionizing radiation , 2007 .

[22]  Christopher R. Arumainayagam,et al.  The Role of Low-Energy (≤ 20 eV) Electrons in Astrochemistry , 2016 .

[23]  Peter Velinov,et al.  Improved cosmic ray ionization model for the system ionosphere–atmosphere—Calculation of electron production rate profiles , 2008 .

[24]  D. Shoesmith,et al.  Oxidation of nuclear fuel (UO2) by the products of water radiolysis: development of a kinetic model , 1994 .

[25]  J. LaVerne,et al.  H2 Production in the Radiolysis of Water on UO2 and Other Oxides , 2003 .

[26]  D. Hunting,et al.  Cross Sections for Low-Energy (10 – 50 eV) Electron Damage to DNA , 2002, Radiation research.

[27]  Felix Franks,et al.  Water in crystalline hydrates : aqueous solutions of simple nonelectrolytes , 1973 .

[28]  Mehran Mostafavi,et al.  Radiation Chemistry , 2020 .

[29]  D. Shoesmith,et al.  Oxidation of UO2 fuel by the products of gamma radiolysis of water , 1992 .

[30]  B. Lind,et al.  Limitations (and merits) of PENELOPE as a track-structure code , 2012, International journal of radiation biology.

[31]  C. E. Melton.  Cross Sections and Interpretation of Dissociative Attachment Reactions Producing OH−, O−, and H− in H2O , 1972 .