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Monte Carlo simulation of electron dynamics in liquid water

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  • Huthmacher, Klaus
  • Herzwurm, André
  • Gnewuch, Michael
  • Ritter, Klaus
  • Rethfeld, Baerbel

Abstract

We present a stochastic model for the energy loss of low-energy electrons (<100 eV) in water in the liquid phase. More precisely, we treat the electrons as independent particles and are thus able to model the time evolution of the kinetic energy of a single electron as a so-called pure jump process. Free electrons are created due to irradiation of an extreme ultraviolet femtosecond laser pulse. In our model, free electrons may interact with water molecules via elastic scattering and impact ionization. Moreover, we present numerical results for the kinetic energy of electrons during and after laser irradiation. Furthermore, we distinguish between primary and secondary electrons, where the latter are created by impact ionization. The numerical results show that creation of secondary electrons due to impact ionization occurs almost entirely during laser irradiation. After irradiation, only a small amount of the laser pulse energy remains in the electron system, while the majority is stored in holes of water molecules.

Suggested Citation

  • Huthmacher, Klaus & Herzwurm, André & Gnewuch, Michael & Ritter, Klaus & Rethfeld, Baerbel, 2015. "Monte Carlo simulation of electron dynamics in liquid water," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 429(C), pages 242-251.
    • Handle: RePEc:eee:phsmap:v:429:y:2015:i:c:p:242-251
    DOI: 10.1016/j.physa.2015.02.031
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    References listed on IDEAS

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    1. Marsaglia, George & Tsang, Wai Wan, 2000. "The Ziggurat Method for Generating Random Variables," Journal of Statistical Software, Foundation for Open Access Statistics, vol. 5(i08).
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