|About this Abstract
||2016 TMS Annual Meeting & Exhibition
||Computational Methods for Spatio-temporal Scale-bridging: from Atomistics to Mesoscale
||Comprehensive Kinetic Characterization of Clusters from the Atomic Scale
||Thomas Schuler, Maylise Nastar
|On-Site Speaker (Planned)
Microstructural evolutions are due to numerous phenomena competing with each other. Actual atomic-scale methods cannot deal with the time and length scales required to study such systems.
One way to achieve that is to describe the system at a higher scale, for instance using cluster dynamics methods, which are able to take into account a wide variety of phenomena simultaneously.
A major challenge in doing that is to have a thorough description of clusters, including all the atomic-scale information related to their rather complex kinetic properties.
In this talk we will explain how the Self-Consistent Mean Field method provides new insights about the computation of cluster properties from an atomic-scale description of diffusion. We suggest a rigorous definition of clusters, and explain that flux coupling effects are mainly included in cluster dissociation parameters, thus providing a way to include quantitatively the physics of flux couplings in standard cluster dynamics methods.
||Planned: A print-only volume