Evaluation of the influence of physical and chemical parameters on water radiolysis simulations under MeV electron irradiation using Geant4-DNA

W. G. Shin; J. Ramos-Mendez; B. Faddegon; H. N. Tran; C. Villagrasa; Y. Perrot; S. Okada; M. Karamitros; D. Emfietzoglou; I. Kyriakou; M. C. Bordage; D. Sakata; S. Guatelli; H. J. Choi; C. H. Min; S. B. Lee; S. Incerti

doi:10.1063/1.5107511

Evaluation of the influence of physical and chemical parameters on water radiolysis simulations under MeV electron irradiation using Geant4-DNA

W. G. Shin, J. Ramos-Mendez, B. Faddegon, H. N. Tran, C. Villagrasa, Y. Perrot, S. Okada, M. Karamitros, D. Emfietzoglou, I. Kyriakou, M. C. Bordage, D. Sakata, S. Guatelli, H. J. Choi, C. H. Min, S. B. Lee, S. Incerti

Radiological Science

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

26 Citations (Scopus)

Abstract

This paper presents the influence of electron elastic scattering models, electron thermalization models, and chemical parameters on Geant4-DNA simulations of liquid water radiolysis under mega-electron-volt electron irradiation. The radiochemical yields are simulated using a new Geant4-DNA example. In particular, the influence of the new elastic scattering model recently developed is presented as well as the influence of improved electron thermalization models. The influence of a new chemistry constructor using parameters of another Monte Carlo track structure code is also described. The results calculated using these different models are compared with each other and with experimental data. For sub-mega-electron-volt electron simulations, the combination of the "G4EmDNAPhysics-option2" physics constructor with the recently developed elastic scattering model, the Meesungnoen electron thermalization model, and the "G4EmDNAChemistry-option1" chemistry constructor is recommended.

Original language	English
Article number	114301
Journal	Journal of Applied Physics
Volume	126
Issue number	11
DOIs	https://doi.org/10.1063/1.5107511
Publication status	Published - 2019 Sept 21

Bibliographical note

Funding Information:
The authors thank Professor Francesc Salvat from Barcelona University for his helpful advice. The authors also thank the University of Bordeaux Initiative of Excellence International Doctorates program in the framework of the “France-Korea Particle Physics Laboratory” International Associated Laboratory (2017– 2020). I. Kyriakou and D. Emfietzoglou acknowledge financial support from the European Space Agent (ESA) under Contract No. 4000126645/19/NL/BW.

Publisher Copyright:
© 2019 Author(s).

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Physics and Astronomy(all)

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Shin, W. G., Ramos-Mendez, J., Faddegon, B., Tran, H. N., Villagrasa, C., Perrot, Y., Okada, S., Karamitros, M., Emfietzoglou, D., Kyriakou, I., Bordage, M. C., Sakata, D., Guatelli, S., Choi, H. J., Min, C. H., Lee, S. B., & Incerti, S. (2019). Evaluation of the influence of physical and chemical parameters on water radiolysis simulations under MeV electron irradiation using Geant4-DNA. Journal of Applied Physics, 126(11), [114301]. https://doi.org/10.1063/1.5107511

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title = "Evaluation of the influence of physical and chemical parameters on water radiolysis simulations under MeV electron irradiation using Geant4-DNA",

abstract = "This paper presents the influence of electron elastic scattering models, electron thermalization models, and chemical parameters on Geant4-DNA simulations of liquid water radiolysis under mega-electron-volt electron irradiation. The radiochemical yields are simulated using a new Geant4-DNA example. In particular, the influence of the new elastic scattering model recently developed is presented as well as the influence of improved electron thermalization models. The influence of a new chemistry constructor using parameters of another Monte Carlo track structure code is also described. The results calculated using these different models are compared with each other and with experimental data. For sub-mega-electron-volt electron simulations, the combination of the {"}G4EmDNAPhysics-option2{"} physics constructor with the recently developed elastic scattering model, the Meesungnoen electron thermalization model, and the {"}G4EmDNAChemistry-option1{"} chemistry constructor is recommended.",

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note = "Funding Information: The authors thank Professor Francesc Salvat from Barcelona University for his helpful advice. The authors also thank the University of Bordeaux Initiative of Excellence International Doctorates program in the framework of the “France-Korea Particle Physics Laboratory” International Associated Laboratory (2017– 2020). I. Kyriakou and D. Emfietzoglou acknowledge financial support from the European Space Agent (ESA) under Contract No. 4000126645/19/NL/BW. Publisher Copyright: {\textcopyright} 2019 Author(s).",

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Shin, WG, Ramos-Mendez, J, Faddegon, B, Tran, HN, Villagrasa, C, Perrot, Y, Okada, S, Karamitros, M, Emfietzoglou, D, Kyriakou, I, Bordage, MC, Sakata, D, Guatelli, S, Choi, HJ, Min, CH, Lee, SB & Incerti, S 2019, 'Evaluation of the influence of physical and chemical parameters on water radiolysis simulations under MeV electron irradiation using Geant4-DNA', Journal of Applied Physics, vol. 126, no. 11, 114301. https://doi.org/10.1063/1.5107511

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T1 - Evaluation of the influence of physical and chemical parameters on water radiolysis simulations under MeV electron irradiation using Geant4-DNA

AU - Shin, W. G.

AU - Ramos-Mendez, J.

AU - Faddegon, B.

AU - Tran, H. N.

AU - Villagrasa, C.

AU - Perrot, Y.

AU - Okada, S.

AU - Karamitros, M.

AU - Emfietzoglou, D.

AU - Kyriakou, I.

AU - Bordage, M. C.

AU - Sakata, D.

AU - Guatelli, S.

AU - Choi, H. J.

AU - Min, C. H.

AU - Lee, S. B.

AU - Incerti, S.

N1 - Funding Information: The authors thank Professor Francesc Salvat from Barcelona University for his helpful advice. The authors also thank the University of Bordeaux Initiative of Excellence International Doctorates program in the framework of the “France-Korea Particle Physics Laboratory” International Associated Laboratory (2017– 2020). I. Kyriakou and D. Emfietzoglou acknowledge financial support from the European Space Agent (ESA) under Contract No. 4000126645/19/NL/BW. Publisher Copyright: © 2019 Author(s).

PY - 2019/9/21

Y1 - 2019/9/21

N2 - This paper presents the influence of electron elastic scattering models, electron thermalization models, and chemical parameters on Geant4-DNA simulations of liquid water radiolysis under mega-electron-volt electron irradiation. The radiochemical yields are simulated using a new Geant4-DNA example. In particular, the influence of the new elastic scattering model recently developed is presented as well as the influence of improved electron thermalization models. The influence of a new chemistry constructor using parameters of another Monte Carlo track structure code is also described. The results calculated using these different models are compared with each other and with experimental data. For sub-mega-electron-volt electron simulations, the combination of the "G4EmDNAPhysics-option2" physics constructor with the recently developed elastic scattering model, the Meesungnoen electron thermalization model, and the "G4EmDNAChemistry-option1" chemistry constructor is recommended.

AB - This paper presents the influence of electron elastic scattering models, electron thermalization models, and chemical parameters on Geant4-DNA simulations of liquid water radiolysis under mega-electron-volt electron irradiation. The radiochemical yields are simulated using a new Geant4-DNA example. In particular, the influence of the new elastic scattering model recently developed is presented as well as the influence of improved electron thermalization models. The influence of a new chemistry constructor using parameters of another Monte Carlo track structure code is also described. The results calculated using these different models are compared with each other and with experimental data. For sub-mega-electron-volt electron simulations, the combination of the "G4EmDNAPhysics-option2" physics constructor with the recently developed elastic scattering model, the Meesungnoen electron thermalization model, and the "G4EmDNAChemistry-option1" chemistry constructor is recommended.

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Evaluation of the influence of physical and chemical parameters on water radiolysis simulations under MeV electron irradiation using Geant4-DNA

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Bibliographical note

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