Threats to ICF reactor materials: computational simulations of radiation damage induced topological changes in fused silica

Abstract We have performed molecular dynamics simulations of radiation damage in fused silica. In this study, we discuss the role of successive cascade overlap on the saturation and self-healing of oxygen vacancy defects in the amorphous fused silica network. Furthermore, we present findings on the topological changes in fused silica due to repeated energetic recoil atoms. These topological network modifications consistent with experimental Raman spectroscopic observation on neutron and ion irradiated fused silica are indicators of permanent densification that has also been observed experimentally. Published by Elsevier Science B.V

Dislocation multi-junctions and strain hardening

At the microscopic scale, the strength of a crystal derives from the motion, multiplication and interaction of distinctive line defects--dislocations. First theorized in 1934 to explain low magnitudes of crystal strength observed experimentally, the existence of dislocations was confirmed only two decades later. Much of the research in dislocation physics has since focused on dislocation interactions and their role in strain hardening: a common phenomenon in which continued deformation increases a crystal's strength. The existing theory relates strain hardening to pair-wise dislocation reactions in which two intersecting dislocations form junctions tying dislocations together. Here we report that interactions among three dislocations result in the formation of unusual elements of dislocation network topology, termed hereafter multi-junctions. The existence of multi-junctions is first predicted by Dislocation Dynamics (DD) and atomistic simulations and then confirmed by the transmission electron microscopy (TEM) experiments in single crystal molybdenum. In large-scale Dislocation Dynamics simulations, multi-junctions present very strong, nearly indestructible, obstacles to dislocation motion and furnish new sources for dislocation multiplication thereby playing an essential role in the evolution of dislocation microstructure and strength of deforming crystals. Simulation analyses conclude that multi-junctions are responsible for the strong orientation dependence of strain hardening in BCC crystals

Multiscale modelling of plastic flow localization in irradiated materials

The irradiation of metals by energetic particles causes significant degradation of the mechanical properties, most notably an increased yield stress and decreased ductility, often accompanied by plastic flow localization. Such effects limit the lifetime of pressure vessels in nuclear power plants, and constrain the choice of materials for fusion-based alternative energy sources. Although these phenomena have been known for many years, the underlying fundamental mechanisms and their relation to the irradiation field have not been clearly demonstrated. Here we use three-dimensional multiscale simulations of irradiated metals to reveal the mechanisms underlying plastic flow localization in defect-free channels. We observe dislocation pinning by irradiation-induced clusters of defects, subsequent unpinning as defects are absorbed by the dislocations, and cross-slip of the latter as the stress is increased. The width of the plastic flow channels is limited by the interaction among opposing dislocation dipole segments and the remaining defect clusters