Scattering data for modelling positron tracks in gaseous and liquid water

F Blanco; A M  Roldán; K  Krupa; R P  McEachran; Ronald White; Srdjan MARJANOVIĆ; Zoran Petrović; Michael Brunger; J R  Machacek; Steven Buckman; James Sullivan; L Chiari; Paolo Limão-Vieira; Gustavo Garcia

doi:10.1088/0953-4075/49/14/145001

Scattering data for modelling positron tracks in gaseous and liquid water

F Blanco, A M Roldán, K Krupa, R P McEachran, Ronald White, Srdjan MARJANOVIĆ, Zoran Petrović, Michael Brunger, J R Machacek, Steven Buckman, James Sullivan, L Chiari, Paolo Limão-Vieira, Gustavo Garcia

Research output: Contribution to journal › Article › peer-review

47 Citations (Scopus)

Abstract

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 selfconsistency. 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.

Original language	English
Article number	145001
Number of pages	10
Journal	Journal of Physics B: Atomic, Molecular & Optical Physics
Volume	49
DOIs	https://doi.org/10.1088/0953-4075/49/14/145001
Publication status	Published (in print/issue) - 15 Jun 2016

Keywords

Monte Carlo simulation
model potential calculations
positron-molecule scattering

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10.1088/0953-4075/49/14/145001

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Blanco, F., Roldán, A. M., Krupa, K., McEachran, R. P., White, R., MARJANOVIĆ, S., Petrović, Z., Brunger, M., Machacek, J. R., Buckman, S., Sullivan, J., Chiari, L., Limão-Vieira, P., & Garcia, G. (2016). Scattering data for modelling positron tracks in gaseous and liquid water. Journal of Physics B: Atomic, Molecular & Optical Physics, 49, Article 145001. https://doi.org/10.1088/0953-4075/49/14/145001

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title = "Scattering data for modelling positron tracks in gaseous and liquid water",

abstract = "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 integralelastic 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 selfconsistency. These data have been used as input parameters for a step-by-step Monte Carlosimulation 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.",

keywords = "Monte Carlo simulation, model potential calculations, positron-molecule scattering",

author = "F Blanco and Rold{\'a}n, {A M} and K Krupa and McEachran, {R P} and Ronald White and Srdjan MARJANOVI{\'C} and Zoran Petrovi{\'c} and Michael Brunger and Machacek, {J R} and Steven Buckman and James Sullivan and L Chiari and Paolo Lim{\~a}o-Vieira and Gustavo Garcia",

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doi = "10.1088/0953-4075/49/14/145001",

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Blanco, F, Roldán, AM, Krupa, K, McEachran, RP, White, R, MARJANOVIĆ, S, Petrović, Z, Brunger, M, Machacek, JR, Buckman, S, Sullivan, J, Chiari, L, Limão-Vieira, P & Garcia, G 2016, 'Scattering data for modelling positron tracks in gaseous and liquid water', Journal of Physics B: Atomic, Molecular & Optical Physics, vol. 49, 145001. https://doi.org/10.1088/0953-4075/49/14/145001

TY - JOUR

T1 - Scattering data for modelling positron tracks in gaseous and liquid water

AU - Blanco, F

AU - Roldán, A M

AU - Krupa, K

AU - McEachran, R P

AU - White, Ronald

AU - MARJANOVIĆ, Srdjan

AU - Petrović, Zoran

AU - Brunger, Michael

AU - Machacek, J R

AU - Buckman, Steven

AU - Sullivan, James

AU - Chiari, L

AU - Limão-Vieira, Paolo

AU - Garcia, Gustavo

PY - 2016/6/15

Y1 - 2016/6/15

N2 - 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 integralelastic 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 selfconsistency. These data have been used as input parameters for a step-by-step Monte Carlosimulation 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.

AB - 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 integralelastic 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 selfconsistency. These data have been used as input parameters for a step-by-step Monte Carlosimulation 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.

KW - Monte Carlo simulation

KW - model potential calculations

KW - positron-molecule scattering

U2 - 10.1088/0953-4075/49/14/145001

DO - 10.1088/0953-4075/49/14/145001

M3 - Article

SN - 0953-4075

VL - 49

JO - Journal of Physics B: Atomic, Molecular & Optical Physics

JF - Journal of Physics B: Atomic, Molecular & Optical Physics

M1 - 145001

ER -

Scattering data for modelling positron tracks in gaseous and liquid water

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