Scattering data for modelling positron tracks in gaseous and liquid water



Publication Details

Blanco, F., Roldan, A. M., Krupa, K., McEachran, R. P., White, R. D., Marjanovic, S., Petrovic, Z. Lj., Brunger, M. J., Machacek, J. R., Buckman, S. J., Sullivan, J. P., Chiari, L., Limao-Vieira, P. & Garcia, G. (2016). Scattering data for modelling positron tracks in gaseous and liquid water. Journal of Physics B: Atomic, Molecular and Optical Physics, 49 145001-1-145001-10.


We present in this study a self-consistent set of scattering cross sections for positron collisions with water molecules, in the energy range 0.1-10 000 eV, with the prime motivation being to provide data for modelling purposes. The structure of the database is based on a new model potential calculation, including interference terms, which provides differential and integral elastic as well as integral inelastic positron scattering cross sections for water molecules over the whole energy range considered here. Experimental and theoretical data available in the literature have been integrated into the database after a careful analysis of their uncertainties and their self-consistency. These data have been used as input parameters for a step-by-step Monte Carlo simulation procedure, providing valuable information on energy deposition, positron range, and the relative percentages of specific interactions (e.g. positronium formation, direct ionisation, electronic, vibrational and rotational excitations) in gaseous and liquid water.

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