Scattering data for modelling positron tracks in gaseous and liquid water

F. Blanco; A. M. Roldán; K. Krupa; R. P. McEachran; R. D. White; S. Marjanović; Z. L. Petrović; M. J. Brunger; J. R. Machacek; S. J. Buckman; J. P. Sullivan; L. Chiari; P. Limão-Vieira; G. García

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, R. D. White, S. Marjanović, Z. L. Petrović, M. J. Brunger, J. R. Machacek, S. J. Buckman, J. P. Sullivan, L. Chiari, P. Limão-Vieira, G. García

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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 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.

Original language	English
Article number	145001
Journal	Journal of Physics B: Atomic, Molecular and Optical Physics
Volume	49
Issue number	14
DOIs	https://doi.org/10.1088/0953-4075/49/14/145001
Publication status	Published - 15 Jun 2016

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

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 White, {R. D.} and S. Marjanovi{\'c} and Petrovi{\'c}, {Z. L.} and Brunger, {M. J.} and Machacek, {J. R.} and Buckman, {S. J.} and Sullivan, {J. P.} and L. Chiari and P. Lim{\~a}o-Vieira and G. Garc{\'i}a",

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Blanco, F, Roldán, AM, Krupa, K, McEachran, RP, White, RD, Marjanović, S, Petrović, ZL, Brunger, MJ, Machacek, JR, Buckman, SJ, Sullivan, JP, Chiari, L, Limão-Vieira, P & García, G 2016, 'Scattering data for modelling positron tracks in gaseous and liquid water', Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 49, no. 14, 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, R. D.

AU - Marjanović, S.

AU - Petrović, Z. L.

AU - Brunger, M. J.

AU - Machacek, J. R.

AU - Buckman, S. J.

AU - Sullivan, J. P.

AU - Chiari, L.

AU - Limão-Vieira, P.

AU - García, G.

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 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.

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 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.

KW - Monte Carlo simulation

KW - model potential calculations

KW - positron-molecule scattering

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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 and Optical Physics

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

IS - 14

M1 - 145001

ER -

Scattering data for modelling positron tracks in gaseous and liquid water

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