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Sabina Markelj

Publications and source records attributed to Sabina Markelj.

2 recordsLinked to original sources
arXiv2026

Surface-mediated reduction of ion-irradiation-induced damage in tungsten revealed by advanced ion channeling analysis

Tungsten is a leading candidate material for plasma-facing components in future fusion reactors. In this work, we integrate advanced ion channeling analysis with large-scale molecular dynamics simulations to uncover a pronounced surface-mediated reduction of radiation damage in single-crystal tungsten at elevated temperatures. We demonstrate how our unique analysis method can clearly resolve a dislocation-free zone near the surface and a transition region with suppressed defect density before reaching the bulk value. A possible explanation for the strong surface effect at elevated temperatures can be obtained by considering the coherent drift motion of dislocation loops toward the surface.

cond-mat.mtrl-sci↗
arXiv2023

Analysis of lattice locations of deuterium in tungsten and its application for predicting deuterium trapping conditions

Retention of hydrogen isotopes (protium, deuterium and tritium) in tungsten is one of the most severe issues in design of fusion power plants, since significant trapping of tritium may cause exceeding radioactivity safety limits in future reactors. Hydrogen isotopes in tungsten can be detected using the nuclear reaction analysis method in channeling mode (NRA/C). However, the information hidden within the experimental spectra is subject to interpretation. In this work, we propose the methodology to interpret the response of the experimental NRA/C spectra to the specific lattice locations of deuterium by simulations of the NRA/C spectra from atomic structures of deuterium lattice locations as obtained from the first principles calculations. We show that trapping conditions, i.e., states of local crystal structures retaining deuterium, affect the lattice locations of deuterium and the change of lattice locations can be detected by ion channeling method. By analyzing the experimental data, we are able to determine specific information on the deuterium trapping conditions, including the number of deuterium atoms trapped by one vacancy as well as the presence of impurity atoms along with deuterium in vacancies.

cond-mat.mtrl-sci↗