arXiv subjects

Dimitris Emfietzoglou

Publications and source records attributed to Dimitris Emfietzoglou.

4 recordsLinked to original sources

arXiv2026

Geant4-IcyMoons: Simulating Electron Interaction Physics in Irradiated Astrophysical Ices

Energetic particles continuously process water ice across astrophysical and planetary environments, from interstellar clouds and comets to icy planetary surfaces. Interpreting the resulting observables requires a physically grounded description of the underlying interactions, both to identify radiation-driven signatures and to distinguish them from superimposed chemical, thermal, and microphysical effects. We present Geant4-IcyMoons, an extension of Geant4-DNA developed for irradiated water ice and, ultimately, for materials embedded within it. In this study, we model the elastic and inelastic interactions of electrons with amorphous and hexagonal ice. For the first time, this enables a transport-ready Monte Carlo simulation of electron irradiation in water ice, linking incident-particle environments to the evolution of icy surfaces. We apply this framework to Jupiter's moon Europa as a representative case of electron bombardment of an icy surface. We show that, on the trailing hemisphere, the stronger low-energy electron bombardment confines much of the deposited energy to the upper $\lesssim 0.1$ cm, whereas on the leading hemisphere, the more energetic incident population drives deposition patterns to depths of tens of centimeters. This may contribute to the observed lens-like enrichment of radiolysis products centered on the equator of the trailing hemisphere. This work lays the foundation for treatments of ion irradiation and radiation chemistry in water ice and embedded materials.

astro-ph.IM↗

arXiv2023

Simulation of DNA damage using Geant4-DNA: an overview of the "molecularDNA" example application

The scientific community shows a great interest in the study of DNA damage induction, DNA damage repair and the biological effects on cells and cellular systems after exposure to ionizing radiation. Several in-silico methods have been proposed so far to study these mechanisms using Monte Carlo simulations. This study outlines a Geant4-DNA example application, named "molecularDNA", publicly released in the 11.1 version of Geant4 (December 2022). It was developed for novice Geant4 users and requires only a basic understanding of scripting languages to get started. The example currently proposes two different DNA-scale geometries of biological targets, namely "cylinders", and the "human cell". This public version is based on a previous prototype and includes new features such as: the adoption of a new approach for the modeling of the chemical stage (IRT-sync), the use of the Standard DNA Damage (SDD) format to describe radiation-induced DNA damage and upgraded computational tools to estimate DNA damage response. Simulation data in terms of single strand break (SSB) and double strand break (DSB) yields were produced using each of these geometries. The results were compared to the literature, to validate the example, producing less than 5 % difference in all cases.

physics.med-ph↗

arXiv2022

Inelastic scattering of electrons in water from first principles: cross sections and inelastic mean free path for use in Monte Carlo track-structure simulations of biological damage

Modelling the inelastic scattering of electrons in water is fundamental, given their crucial role in biological damage. In Monte Carlo track-structure codes used to assess biological damage, the energy loss function, from which cross sections are extracted, is derived from different semi-empirical optical models. Only recently, first ab-initio results for the energy loss function and cross-sections in water became available. For benchmarking purpose, in this work, we present ab-initio linear-response time-dependent density functional theory calculations of the energy loss function of liquid water. We calculated the inelastic scattering cross sections, inelastic mean free paths, and electronic stopping powers and compared our results with recent calculations and experimental data showing a good agreement. In addition, we provide an in-depth analysis of the contributions of different molecular orbitals, species, and orbital angular momenta to the total energy loss function. Moreover, we present single-differential cross sections computed for each molecular orbital channel, which should prove useful for Monte-Carlo track-structure simulations.

physics.chem-ph↗

arXiv2020

Cosmic ray tracks in astrophysical ices: Modeling with the Geant4-DNA Monte Carlo Toolkit

Cosmic rays are ubiquitous in interstellar environments, and their bombardment of dust-grain ice mantles is a possible driver for the formation of complex, even prebiotic molecules. Yet, critical data that are essential for accurate modeling of this phenomenon, such as the average radii of cosmic-ray tracks in amorphous solid water (ASW) remain unconstrained. It is shown that cosmic ray tracks in ASW can be approximated as a cylindrical volume with an average radius that is mostly independent of the initial particle energy. Interactions between energetic ions and both a low-density amorphous (LDA) and high-density amorphous (HDA) ice target are simulated using the Geant4-DNA Monte Carlo toolkit, which allows for tracking secondary electrons down to subexcitation energies in the material. We find the peak track core radii, $r_\mathrm{cyl}$, for LDA and HDA ices to be 9.9 nm and 8.4 nm, respectively - somewhat less than double the value of 5 nm often assumed in astrochemical models.

astro-ph.GA↗