NOMATEN HYBRID-SEMINAR April 14: Assessment of the irradiation damage in several FeCrNi austenitic steels via Molecular Dynamics simulations

Date
2026-04-14, 13:00

NOMATEN HYBRID-SEMINAR

online: https://meet.goto.com/NCBJmeetings/nomaten-seminar
In-person: NOMATEN seminar room (102)

Tuesday, April 14th  2026 13:00 PM (CET)

Assessment of the irradiation damage in several FeCrNi austenitic steels via Molecular Dynamics simulations

Maria Susini
Università degli Studi di Torino, Dipartimento di Fisica, Via Verdi 8, 10124 Torino, Italy

 

Abstract:

In this study, molecular dynamics simulations is used to assess the damage evolution as a function of dose and temperature of several FeCrNi solid-solutions modeling austenitic steels. First, the threshold displacement energy (TDE) is evaluated for Fe, Cr, and Ni primary knock-on atoms, showing similar behavior across species and suggesting limited influence of alloying for TDE. Subsequently, displacement cascade simulations revealed two distinct damage regimes. Below 10 keV, damage is dominated by isolated Frenkel pairs, where the ARC model accurately reproduces MD results, outperforming the NRT prediction. At higher energies, damage morphology evolves into extended defect clustering, including sub-cascade formation and complex defect configurations, underscoring the need for updated damage descriptions not captured by point-defect-based models. Building on the primary damage characterization, Frenkel pair accumulation was simulated up to 2 dpa to reproduce progressive defect build-up under irradiation from point defects to extended 2D and 3D defects. With this technique, the effects of alloying and temperature are highlighted.

 

Bio:

Maria Susini is PhD student in Physics at the University of Turin, where her research sits at the intersection of computational physics, materials science, and nuclear engineering. Trained in particle physics and reactor physics, she subsequently focused on radiation damage modelling — investigating how materials respond to the extreme irradiation conditions of a nuclear reactor. Her current work, carried out in collaboration with CEA, uses Molecular Dynamics simulations to study neutron irradiation damage in AIM1 austenitic steel, tracing the evolution of defects from individual displacement cascades to cumulative dose effects. In parallel, her doctoral research includes collaborations with newcleo on reactor physics modelling and on characterising irradiation effects in structural materials for Lead-cooled Fast Reactors.

 

 

Tags



This project has received funding from the European Union Horizon 2020 research and innovation
programme under grant agreement No 857470 and from European Regional Development Fund
via Foundation for Polish Science International Research Agenda PLUS programme grant
No MAB PLUS/2018/8.
Poland
The project is co-financed from the state budget within the framework of the undertaking of the Minister of Science and Higher Education "Support for the activities of Centers of Excellence established under Horizon 2020".

Grant: 5 143 237,70 EUR
Total value: 29 971 365,00 EUR
Date of signing the funding agreement: December 2023

The purpose of the undertaking is to support entities of the higher education and science system that have received funding from the European Union budget in the competition H2020-WIDESPREAD-2018-2020/WIDESPREAD-01-2018-2019: Teaming Phase 2. in the preparation, implementation and updating of activities, maintenance of material resources necessary for carrying out activities, acquisition and modernization of scientific and research apparatus, maintenance and development of personnel potential necessary for the implementation of activities, and dissemination of the results of scientific activities.