|About this Abstract
||2016 TMS Annual Meeting & Exhibition
||Nanostructured Materials for Nuclear Applications
||Accelerated Simulations of Nanosize He-V Clusters to Experimentally Relevant Time Scale
||Fei Gao, Ning Gao, Li Yang
|On-Site Speaker (Planned)
A new self-adaptive accelerated molecular dynamics (SAAMD) has been developed. SAAMD method is self-evolving and thus applicable to explore the motion of fast and slow dynamical processes. For the low-energy barrier case, we applied SAAMD to study the diffusion of a single vacancy in bcc iron. For coupled motion involving fast and slow processes, we simulated the diffusion of HenVm clusters at different temperatures for times on the order of ~10 s. A helium-rich He-V cluster migrates by an interstitial-assisted mechanism. The SAAMD approach is also applied to study the growth of a nano-size He-V cluster from smaller clusters, and it is found that Ostwald ripening is responsible for cluster growth by mass transport from one cluster to another. Finally, SAAMD has been used to study the nucleation and growth of voids, as well as reactions between <111> loops to form a <100> loop.
||Planned: A print-only volume