Atomistic study of radiation-induced ductile-to-brittle transition in austenitic steel

Neutron irradiation in structural alloys promotes defect clustering, which suppresses plasticity and triggers a ductile-to-brittle transition (DBT), a key degradation mechanism limiting fracture resistance in nuclear materials. This study investigates the fracture mechanisms underlying this transition in irradiated Fe–Ni–Cr alloys. Using Molecular Dynamics simulations, we examine how different defect types influence crack propagation and energy dissipation mechanisms. The results reveal distinct roles of these defects: voids facilitate crack growth by reducing local cohesive energy, while dislocation loops act as barriers that impede crack advancement and redirect crack paths, significantly altering crack morphology. Building on the classical approach of separating fracture energy into brittle cleavage and plastic components, this study adapts the decomposition to irradiated materials. This framework quantifies the evolving contributions of surface energy and plastic work across increasing radiation damage levels, providing critical insight into how irradiation-induced defects govern fracture dynamics. • Atomistic insight into radiation-induced ductile-to-brittle transition (DBT). • Crack propagation governed by interactions with voids and dislocation loops. • Decreased plastic work with increasing displacement per atom. • Quantitative model for assessing irradiation embrittlement.