Scattering data for modelling positron tracks in gaseous and liquid water

Blanco, F., Roldán, A.M., Krupa, K., McEachran, R.P., White, R.D., Marjanović, S., Petrović, Z. Lj, Brunger, M.J., Machacek, J.R., Buckman, S.J., Sullivan, J.P., Chiari, L., Limão-Vieira, P., and Garcia, G. (2016) Scattering data for modelling positron tracks in gaseous and liquid water. Journal of Physics B: Atomic, Molecular and Optical Physics, 49 (14). 145001. pp. 1-10.

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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.

Item ID: 45464
Item Type: Article (Research - C1)
ISSN: 1361-6455
Keywords: positron-molecule scattering, model potential calculations, Monte Carlo simulation
Funders: Spanish Ministry of Economy Industry and Competitiveness (MINCO), European Union (EU), Portuguese National Funding Agency (PNFA), Fundação para c Ciência e a Tecnologia - Ministério da Ciência Technolgia e Ensino Superior (FCT-MCTES), Australian Research Council (ARC), University of Malaysia
Projects and Grants: MINCO Project FIS2012-31230, EU Programme COST CM1301, EU Programme FP7-ITN ARGENT, PNFA International Doctoral Programme RABITT (PD/00193/2012), FCT-MCTES UID/FIS/00068/2013, FCT-MCTES UID/Multi/04378/2013, FCT-MCTES SFRH/BD/52536/2014, FCT-MCTES PTDC/FIS-ATO/1832/2012, MPNTRS OI171037 III 41011, SASA 155 project
Date Deposited: 27 Jul 2016 07:34
FoR Codes: 51 PHYSICAL SCIENCES > 5102 Atomic, molecular and optical physics > 510201 Atomic and molecular physics @ 100%
SEO Codes: 97 EXPANDING KNOWLEDGE > 970102 Expanding Knowledge in the Physical Sciences @ 100%
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