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• Geant4 low energy photon models were updated using EPICS2017 database. • Cross-sections, scattering functions and form factors were considered. • Important improvement has been made on the parameterizations. • The simulation results using updated models were found in good agreement with XCOM. This paper describes in detail the implementation of Geant4 Livermore electromagnetic physics models based on the EPICS2017 database for the low energy transport of photons. These models describe four photon processes: gamma conversion, Compton scattering, photoelectric effect and Rayleigh scattering. New parameterizations based on EPICS2017 were performed for scattering functions of Compton effect, subshell cross-sections of the photoelectric effect and form factors of Rayleigh scattering, in order to improve the precision of fitted values compared to tabulated values. Comparisons between new and old parameterizations were also carried out to evaluate the precision of the new parameterizations. The models were tested through a comparative study, in which the mass attenuation coefficient was calculated for both total photon interaction and each process using Geant4 simulations based on EPICS2017 and EPDL97 respectively. The results obtained from the simulations were found in good agreement with the XCOM reference data. [ABSTRACT FROM AUTHOR]

• A set of electron physics models have been developed based on dielectric theory. • The new Geant4 model show higher 1D absorbed dose compared to the previous model. • The new Geant4 model show high back scattering effect as same as the previous model. Gold Nanoparticles (GNPs) have recently gained a lot of attention due to their potential benefit to improve the efficacy of X-ray radiotherapy. Owing to their high atomic number, GNPs are able to absorb higher quantities of incident radiation with respect to the surrounding tissue, producing, in particular, photoelectrons and low energy Auger electrons. These additional low energy electrons increase the local energy deposition in the region surrounding the GNP. Monte Carlo simulations play a key role in the investigation of GNP radio-enhancement and it is widely recognised that track structure physics models are the state-of-the-art for nano-scale studies. In 2016, we have developed track structure physics models for the Geant4-DNA toolkit allowing electron transport for microscopic bulk gold (Geant4_DNA_AU_2016) and we have recently improved them in the low energy domain (Geant4_DNA_AU_2018). In this paper, we report the benchmarking of these newly developed physics models when calculating the physical dose and the Dose Enhancement Factor (DEF) around a GNP. We demonstrate that Geant4_DNA_AU_2018 models give similar azimuthal distribution of two dimensional absorbed dose around a single GNP, but result in larger absorbed dose and DEF than Geant4_DNA_AU_2016 models. In parallel, we investigated the performance of a newly developed multiple scattering model in Geant4 based on the Goudsmit-Saunderson (GS) model, when used together with the electromagnetic physics models with the Geant4 Livermore condensed-history approach. Our results show that the GS model does not affect the results of the simulations when studying GNP radio-enhancement with a condensed-history approach. [ABSTRACT FROM AUTHOR]

• A Geant4-DNA simulation chain has been developed to evaluate early DNA damage in a fractal cell nucleus geometry. • Geant4-DNA simulations show good agreement with experimental data. • The simulated results are almost equivalent to PARTRAC simulations. The advancement of multidisciplinary research fields dealing with ionising radiation induced biological damage – radiobiology, radiation physics, radiation protection and, in particular, medical physics – requires a clear mechanistic understanding of how cellular damage is induced by ionising radiation. Monte Carlo (MC) simulations provide a promising approach for the mechanistic simulation of radiation transport and radiation chemistry, towards the in silico simulation of early biological damage. We have recently developed a fully integrated MC simulation that calculates early single strand breaks (SSBs) and double strand breaks (DSBs) in a fractal chromatin based human cell nucleus model. The results of this simulation are almost equivalent to past MC simulations when considering direct/indirect strand break fraction, DSB yields and fragment distribution. The simulation results agree with experimental data on DSB yields within 13.6% on average and fragment distributions agree within an average of 34.8%. [ABSTRACT FROM AUTHOR]

Nanoparticles (NPs) have been shown to enhance X-ray radiotherapy and proton therapy of cancer. The effectiveness of radiation damage is enhanced in the presence of high atomic number (high-Z) NPs due to increased production of low energy, higher linear energy transfer (LET) secondary electrons when NPs are selectively internalized by tumour cells. This work quantifies the local dose enhancement produced by the high-Z ceramic oxide NPs Ta 2 O 5 and CeO 2 , in the target tumour, for the first time in proton therapy, by means of Geant4 simulations. The dose enhancement produced by the ceramic oxides is compared against gold NPs. The energy deposition on a nanoscale around a single nanoparticle of 100 nm diameter is investigated using the Geant4-DNA extension to model particle interactions in the water medium. Enhancement of energy deposition in nano-sized shells of water, local to the NP boundary, ranging between 14% and 27% was observed for proton energies of 5 MeV and 50 MeV, depending on the NP material. Enhancement of electron production and energy deposition can be correlated to the direct DNA damage mechanism if the NP is in close proximity to the nucleus. [ABSTRACT FROM AUTHOR]

Track structure Monte Carlo (MC) codes have achieved successful outcomes in the quantitative investigation of radiation-induced initial DNA damage. The aim of the present study is to extend a Geant4-DNA radiobiological application by incorporating a feature allowing for the prediction of DNA rejoining kinetics and corresponding cell surviving fraction along time after irradiation, for a Chinese hamster V79 cell line, which is one of the most popular and widely investigated cell lines in radiobiology. We implemented the Two-Lesion Kinetics (TLK) model, originally proposed by Stewart, which allows for simulations to calculate residual DNA damage and surviving fraction along time via the number of initial DNA damage and its complexity as inputs. By optimizing the model parameters of the TLK model in accordance to the experimental data on V79, we were able to predict both DNA rejoining kinetics at low linear energy transfers (LET) and cell surviving fraction. This is the first study to demonstrate the implementation of both the cell surviving fraction and the DNA rejoining kinetics with the estimated initial DNA damage, in a realistic cell geometrical model simulated by full track structure MC simulations at DNA level and for various LET. These simulation and model make the link between mechanistic physical/chemical damage processes and these two specific biological endpoints. • We developed a Geant4-DNA application to reproduce cell survival of V79 cells. • The application reproduced DNA rejoining and cell survival of V79. • This is the first application for cell survival prediction with DNA simulations. [ABSTRACT FROM AUTHOR]

For several years, attempts have been made to interface Geant4 and other software packages with the aim of simulating the complete response of a gaseous particle detector. In such a simulation, Geant4 is always responsible for the primary particle generation and the interactions that occur in the non-gaseous detector material. Garfield++ on the other hand always deals with the drift of ions and electrons, amplification via electron avalanches and finally signal generation. For the ionizing interaction of particles with the gas, different options and physics models exist. The present paper focuses on how to use Geant4, Garfield++ (including its Heed and SRIM interfaces) and Degrad to create the electron–ion pairs stemming from the ionization of the gas. Software-wise, the proposed idea is to use the Geant4 physics parameterization feature, and to implement a Garfield++ or Degrad based detector simulation as an external model. With a Degrad model, detailed simulations of the X-ray interaction in gaseous detectors, including shell absorption by photoelectric effect, subsequent Auger cascade, shake-off and fluorescence emission, become possible. A simple Garfield++ model can be used for photons (Heed), heavy ions (SRIM) and relativistic charged particles or MIPs (Heed). For non-relativistic charged particles, more effort is required, and a combined Geant4/Garfield++ model must be used. This model, the Geant4/Heed PAI model interface, uses the Geant4 PAI model in conjunction with the Heed PAI model. Parameters, such as the lower production cut of the Geant4 PAI model and the lowest electron energy limit of the physics list have to be set correctly. The paper demonstrates how to determine these parameters for certain values of the W parameter and Fano factor of the gas mixture. The simulation results of this Geant4/Heed PAI model interface are then verified against the results obtained with the stand-alone software packages. [ABSTRACT FROM AUTHOR]

Auger emitting radioisotopes are of great interest in targeted radiotherapy because, once internalised in the tumour cells, they can deliver dose locally to the radiation sensitive targets, while not affecting surrounding cells. Geant4 is a Monte Carlo code widely used to characterise the physics mechanism at the basis of targeted radiotherapy. In this work, we benchmarked the modelling of the emission of Auger electrons in Geant4 deriving from the decay of 123I, 124I, 125I radionuclides against existing theoretical approaches. We also compared Geant4 against reference data in the case of 131Cs, which is of interest for brachytherapy. In the case of 125I and 131Cs, the simulation results are compared to experimental measurements as well. Good agreement was found between Geant4 and the reference data. As far as we know, this is the first study aimed to benchmark against experimental measurements the emission of Auger electrons in Geant4 for radiotherapy applications. • Auger electrons can deliver dose locally to the radiation sensitive targets. • The emission of Auger electrons in Geant4. • The Auger electrons are alternative channel to X-ray fluorescence. • Geant4 is extensively used in medical physics applications. • Geant4 in terms of emission of Auger electrons. [ABSTRACT FROM AUTHOR]