Evaluation of Recommended Cross Sections for the Simulation of Electron Tracks in Water

García-Abenza, Adrián; Lozano, A.; Oller, J.C.; Blanco, F.; Gorfinkiel, Jimena D.; Limão-Vieira, P.; Garcı́a, Gustavo

doi:10.3390/atoms9040098

Cited by 9 publications

(17 citation statements)

References 55 publications

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“…This is mainly for atomic and molecular gases, − but an extension to liquids has recently been examined . In the case of e-CO 2 scattering in the gas phase, there seem to be enough cross section data that such AI/AL approaches might be gainfully applied, complementing the extensive recent work of Guerra, Alves and co-workers on this gas (see the review), as well as other electron transport simulation procedures as such recently applied by Gracía-Abenza et al to water vapor.…”

Section: Discussionmentioning

confidence: 99%

“…The present TCS measurements have been carried out with our magnetically confined electron-beam-transmission apparatus, 52 which has been recently modified 53 in order to improve the energy resolution (currently about 80 meV). Details on the experimental setup and measurement protocols can be found in ref ( 52 ).…”

Section: Electron Scattering Cross Section Measurementsmentioning

confidence: 99%

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Electron and Positron Scattering Cross Sections from CO₂: A Comparative Study over a Broad Energy Range (0.1–5000 eV)

et al. 2022

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In this Review, we present a comparative study between electron and positron scattering cross sections from CO 2 molecules over a broad impact energy range (0.1–5000 eV). For electron scattering, new total electron scattering cross sections (e-TCS) have been measured with a high resolution magnetically confined electron beam transmission system from 1 to 200 eV. Dissociative electron attachment processes for electron energies from 3 to 52 eV have been analyzed by measuring the relative O – anion production yield. In addition, elastic, inelastic, and total scattering cross section calculations have been carried out in the framework of the Independent Atom Model by using the Screening Corrected Additive Rule, including interference effects (IAM-SCARI). Based on the previous cross section compilation from Itikawa ( J. Phys. Chem. Ref. Data 2002 31 749 767 ) and the present measurements and calculations, an updated recommended e-TCS data set has been used as reference values to obtain a self-consistent integral cross section data set for the elastic and inelastic (vibrational excitation, electronic excitation, and ionization) scattering channels. A similar calculation has been carried out for positrons, which shows important differences between the electron scattering behavior: e.g., more relevance of the target polarization at the lower energies, more efficient excitation of the target at intermediate energies, but a lower total scattering cross section for increasing energies, even at 5000 eV. This result does not agree with the charge independence of the scattering cross section predicted by the first Born approximation (FBA). However, we have shown that the inelastic channels follow the FBA’s predictions for energies above 500 eV while the elastic part, due to the different signs of the scattering potential constituent terms, remains lower for positrons even at the maximum impact energy considered here (5000 eV). As in the case of electrons, a self-consistent set of integral positron scattering cross sections, including elastic and inelastic (vibrational excitation, electronic excitation, positronium formation, and ionization) channels is provided. Again, to derive these data, positron scattering total cross sections based on a previous compilation from Brunger et al. ( J. Phys. Chem. Ref. Data 2017 46 023102 ) and the present calculation have been used as reference values. Data for the main inelastic channels, i.e. direct ionization and positronium formation, derived with this procedure, show excellent agreement with the experimental results available in the literature. Inconsistencies found between different model potential calculations, both for the elastic and inelastic collision processes, suggest that new calculations using more sophisticated methods are required.

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Section: Discussionmentioning

confidence: 99%

Section: Electron Scattering Cross Section Measurementsmentioning

confidence: 99%

Electron and Positron Scattering Cross Sections from CO₂: A Comparative Study over a Broad Energy Range (0.1–5000 eV)

et al. 2022

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“…However, the ab initio calculation for the cluster of six water molecules, as a proxy for the liquid medium, shows clear deviations from the molecular behaviour, particularly in some energy ranges such as below 30 eV or in the range 100–300 eV, which might show the signature of the effect of the liquid environment on the EMFP. It should be noted that, even though the recommended data by Itikawa and Mason [ 24 ] and its later revision by Song et al [ 27 ] constitute, up to date, the most complete reference data with which to compare the calculated EMFP in water, some discrepancies with these cross sections have been identifie in a recent simulation study [ 121 ], so further research on the elastic (and inelastic) cross sections in water needed.…”

Section: Methodsmentioning

confidence: 99%

Energy Deposition around Swift Carbon-Ion Tracks in Liquid Water

Vera

Taioli

Trevisanutto

et al. 2022

IJMS

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Energetic carbon ions are promising projectiles used for cancer radiotherapy. A thorough knowledge of how the energy of these ions is deposited in biological media (mainly composed of liquid water) is required. This can be attained by means of detailed computer simulations, both macroscopically (relevant for appropriately delivering the dose) and at the nanoscale (important for determining the inflicted radiobiological damage). The energy lost per unit path length (i.e., the so-called stopping power) of carbon ions is here theoretically calculated within the dielectric formalism from the excitation spectrum of liquid water obtained from two complementary approaches (one relying on an optical-data model and the other exclusively on ab initio calculations). In addition, the energy carried at the nanometre scale by the generated secondary electrons around the ion’s path is simulated by means of a detailed Monte Carlo code. For this purpose, we use the ion and electron cross sections calculated by means of state-of-the art approaches suited to take into account the condensed-phase nature of the liquid water target. As a result of these simulations, the radial dose around the ion’s path is obtained, as well as the distributions of clustered events in nanometric volumes similar to the dimensions of DNA convolutions, contributing to the biological damage for carbon ions in a wide energy range, covering from the plateau to the maximum of the Bragg peak.

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“…Transmitted electron intensity spectra through gaseous benzene were measured in a state-of-the-art magnetically confined electron beam experiment, 40 including some recent improvements as recently discussed in ref. 39 and 41. The working principle of this setup is based on the axial confinement of the electron beam by applying a magnetic field of about 0.1 T. Briefly, a hairpin filament generates the primary electron beam which is passed through a nitrogen trap where it is cooled, thus reducing its initial energy spread of 500 meV down to about 100–200 meV.…”

Section: Experimental and Computational Detailsmentioning

confidence: 99%

Evaluated electron scattering cross section dataset for gaseous benzene in the energy range 0.1–1000 eV

García-Abenza

Lozano

Álvarez

et al. 2023

Phys. Chem. Chem. Phys.

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Evaluation of Recommended Cross Sections for the Simulation of Electron Tracks in Water

Cited by 9 publications

References 55 publications

Electron and Positron Scattering Cross Sections from CO₂: A Comparative Study over a Broad Energy Range (0.1–5000 eV)

Electron and Positron Scattering Cross Sections from CO₂: A Comparative Study over a Broad Energy Range (0.1–5000 eV)

Energy Deposition around Swift Carbon-Ion Tracks in Liquid Water

Evaluated electron scattering cross section dataset for gaseous benzene in the energy range 0.1–1000 eV

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Evaluation of Recommended Cross Sections for the Simulation of Electron Tracks in Water

Cited by 9 publications

References 55 publications

Electron and Positron Scattering Cross Sections from CO2: A Comparative Study over a Broad Energy Range (0.1–5000 eV)

Electron and Positron Scattering Cross Sections from CO2: A Comparative Study over a Broad Energy Range (0.1–5000 eV)

Energy Deposition around Swift Carbon-Ion Tracks in Liquid Water

Evaluated electron scattering cross section dataset for gaseous benzene in the energy range 0.1–1000 eV

Contact Info

Product

Resources

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Electron and Positron Scattering Cross Sections from CO₂: A Comparative Study over a Broad Energy Range (0.1–5000 eV)

Electron and Positron Scattering Cross Sections from CO₂: A Comparative Study over a Broad Energy Range (0.1–5000 eV)