RDM: An R interface for high-throughput simulation of ion-material interactions using TRIM

Published: 20 July 2022| Version 1 | DOI: 10.17632/jxrt58jprt.1
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Description

The quantitative estimation of the damage caused by ion-material interaction is carried out using Monte Carlo codes as, for instance, TRIM (TRansport of Ions in Matter). Some studies require multiple simulations to be run, varying the ion energy, mass, and charge, or changing the target material. Natural radiation damage in minerals due to the alpha decays in the three natural series is an example. In such applications, the task of calculating the ion damage on the material becomes very time-consuming. The R language code presented in this paper, Radiation Damage in Materials (RDM), is designed to serve as an interface to set parameters, start, collect, and treat the results of multiple TRIM simulations. The main outputs of RDM are the dpa (displacements per atom) and dpa profiles for ion beam irradiation, and, if needed, the natural radiation dpa for any materials to be used in a given study. The fluence of an artificially accelerated ion beam matching the natural radiation dpa is also calculated for studies in which swift heavy ions are used as proxies for natural radiation damage.

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Condensed Matter Physics, Computational Physics, Radiation Damage

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