L. Reali M. Boleininger M. R. Gilbert S. L. Dudarev
Using the notion of eigenstrain produced by the defects formed in a material exposed to high energy neutron irradiation, we develop a method for computing macroscopic elastic stress and strain arising in components of a fusion power plant during operation. In a microstructurally isotropic material, the primary cause of macroscopic elastic stress an…
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 PurchaseM. Boleininger M. Gallauer S. L. Dudarev T. D. Swinburne D. R. Mason D. Perez
The ability of a body-centered cubic metal to deform plastically is limited by the thermally activated glide motion of screw dislocations, which are line defects with a mobility exhibiting complex dependence on temperature, stress, and dislocation segment length. We derive an analytical expression for the velocity of dislocation glide, based on a s…
Preprint PublishedMax 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 PublishedM. Boleininger T. D. Swinburne S. L. Dudarev
Conventional linear elasticity theory predicts the strain fields of a dislocation core to diverge, whereas it is known from atomistic simulations that strains at dislocation cores remain finite. We present an analytical solution to a generalised, variational Peierls-Nabarro model of edge dislocation displacement fields that features a finite core w…
Preprint Published