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Independent reaction times method in Geant4‐DNA: Implementation and performance

hal.structure.identifierUniversity of California [San Francisco] [UC San Francisco]
dc.contributor.authorRAMOS-MENDEZ, Jose
hal.structure.identifierCentre d'Etudes Nucléaires de Bordeaux Gradignan [CENBG]
dc.contributor.authorSHIN, Wook‐geun
hal.structure.identifierUniversity of Notre Dame [Indiana] [UND]
dc.contributor.authorKARAMITROS, Mathieu
hal.structure.identifierUniversidad Popular Autónoma del Estado de Puebla [UPAEP]
dc.contributor.authorDOMÍNGUEZ‐KONDO, Jorge
hal.structure.identifierCentre d'Etudes Nucléaires de Bordeaux Gradignan [CENBG]
dc.contributor.authorTRAN, Ngoc Hoang
hal.structure.identifierCentre d'Etudes Nucléaires de Bordeaux Gradignan [CENBG]
dc.contributor.authorINCERTI, Sébastien
hal.structure.identifierLaboratoire de dosimétrie des rayonnements ionisants [IRSN/PSE-SANTE/SDOS/LDRI]
dc.contributor.authorVILLAGRASA, Carmen
hal.structure.identifierLaboratoire de dosimétrie des rayonnements ionisants [IRSN/PSE-SANTE/SDOS/LDRI]
dc.contributor.authorPERROT, Yann
hal.structure.identifierCzech Academy of Sciences [Prague] [CAS]
dc.contributor.authorŠTĚPÁN, Václav
hal.structure.identifierTsukuba University of Technology
dc.contributor.authorOKADA, Shogo
hal.structure.identifierBenemérita Universidad Autónoma de Puebla [BUAP]
dc.contributor.authorMORENO‐BARBOSA, Eduardo
hal.structure.identifierUniversity of California [San Francisco] [UC San Francisco]
dc.contributor.authorFADDEGON, Bruce
dc.date.accessioned2023-11-20T16:38:05Z
dc.date.available2023-11-20T16:38:05Z
dc.date.issued2020-11
dc.identifier.issn0094-2405
dc.identifier.urihttps://oskar-bordeaux.fr/handle/20.500.12278/184951
dc.description.abstractEnPurposeThe simulation of individual particle tracks and the chemical stage following water radiolysis in biological tissue is an effective means of improving our knowledge of the physico‐chemical contribution to the biological effect of ionizing radiation. However, the step‐by‐step simulation of the reaction kinetics of radiolytic species is the most time‐consuming task in Monte Carlo track‐structure simulations, with long simulation times that are an impediment to research. In this work, we present the implementation of the independent reaction times (IRT) method in Geant4‐DNA Monte Carlo toolkit to improve the computational efficiency of calculating G‐values, defined as the number of chemical species created or lost per 100 eV of deposited energy.MethodsThe computational efficiency of IRT, as implemented, is compared to that from available Geant4‐DNA step‐by‐step simulations for electrons, protons and alpha particles covering a wide range of linear energy transfer (LET). The accuracy of both methods is verified using published measured data from fast electron irradiations for •OH and urn:x-wiley:00942405:media:mp14490:mp14490-math-0001 for time‐dependent G‐values. For IRT, simulations in the presence of scavengers irradiated by cobalt‐60 γ‐ray and 2 MeV protons are compared with measured data for different scavenging capacities. In addition, a qualitative assessment comparing measured LET‐dependent G‐values with Geant4‐DNA calculations in pure liquid water is presented.ResultsThe IRT improved the computational efficiency by three orders of magnitude relative to the step‐by‐step method while differences in G‐values by 3.9% at 1 μs were found. At 7 ps, •OH and urn:x-wiley:00942405:media:mp14490:mp14490-math-0002 yields calculated with IRT differed from recent published measured data by 5% ± 4% and 2% ± 4%, respectively. At 1 μs, differences were 9% ± 5% and 6% ± 7% for •OH and urn:x-wiley:00942405:media:mp14490:mp14490-math-0003, respectively. Uncertainties are one standard deviation. Finally, G‐values at different scavenging capacities and LET‐dependent G‐values reproduced the behavior of measurements for all radiation qualities.ConclusionThe comprehensive validation of the Geant4‐DNA capabilities to accurately simulate the chemistry following water radiolysis is an ongoing work. The implementation presented in this work is a necessary step to facilitate performing such a task.
dc.language.isoen
dc.publisherAmerican Association of Physicists in Medicine
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/
dc.title.enIndependent reaction times method in Geant4‐DNA: Implementation and performance
dc.typeArticle de revue
dc.identifier.doi10.1002/mp.14490
dc.subject.halPhysique [physics]/Physique [physics]/Physique Médicale [physics.med-ph]
bordeaux.journalMedical Physics
bordeaux.page5919-5930
bordeaux.volume47
bordeaux.hal.laboratoriesCentre d'Études Nucléaires de Bordeaux Gradignan (CENBG)*
bordeaux.issue11
bordeaux.institutionUniversité de Bordeaux
bordeaux.institutionCNRS
bordeaux.peerReviewedoui
hal.identifierhal-02988428
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-02988428v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Medical%20Physics&rft.date=2020-11&rft.volume=47&rft.issue=11&rft.spage=5919-5930&rft.epage=5919-5930&rft.eissn=0094-2405&rft.issn=0094-2405&rft.au=RAMOS-MENDEZ,%20Jose&SHIN,%20Wook%E2%80%90geun&KARAMITROS,%20Mathieu&DOM%C3%8DNGUEZ%E2%80%90KONDO,%20Jorge&TRAN,%20Ngoc%20Hoang&rft.genre=article


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