Luca Stefanescu Max Boleininger Pui-Wai Ma
We investigated the athermal irradiation-induced swelling and creep in iron subjecting to the application of external uniaxial stress. We studied this through atomic scale simulations using the creation-relaxation algorithm. We also calculated the defect relaxation volume density tensors (or eigenstrain) as a function of external uniaxial stress. B…
Preprint PublishedAndrew R. Warwick Max Boleininger Sergei L. Dudarev
Using atomistic simulations based on the creation-relaxation algorithm, we explore the evolution of microstructure in irradiated zirconium over a broad range of radiation exposure. In agreement with experimental observations, we find that at relatively low temperatures, microstructure evolves towards an asymptotic dynamic steady state forming at…
Preprint PublishedDaniel R. Mason Fredric Granberg Max Boleininger Thomas Schwarz-Selinger Kai Nordlund Sergei L. Dudarev
Hydrogen isotopes are retained in materials for fusion power applications, changing both hydrogen embrittlement and tritium inventory as the microstructure undergoes irradiation damage. But modelling of the highly damaged regime – over 0.1 displacements per atom (dpa) – where asymptotic saturation is observed, is difficult because a highly dama…
Preprint PurchaseMax Boleininger Sergei L. Dudarev
Linear elasticity theory predicts a divergent strain field at the dislocation core, resulting from the continuum approximation breaking down at the atomic scale. We introduce a minimum model that includes elastic interactions and discrete lattice periodicity, and derive a set of equations that treat the core of an edge dislocation from a solely geo…
Preprint PublishedYang Li Max Boleininger Christian Robertson Laurent Dupuy Sergei L Dudarev
Body-centered cubic metals and alloys irradiated by energetic particles form highly mobile prismatic dislocation loops with a/2 {111} -type Burgers vectors. We show how to simulate thermal diffusion of prismatic loops using a discrete dislocation dynamics approach that explicitly includes the stochastic forces associated with ambient thermal fluctu…
Preprint Published