A New Multiscale Algorithm and the Framework of Code Systems for Advanced Defect Cluster Dynamics Simulations
Abstract
In the research of void swelling for reactor material, the dynamics of defect clusters is an important topic during the research of principles for this phenomenon. The simulation of defect cluster evolution pursues more atomic level details on cluster dynamics and higher calculation capability to evolve the system to higher scale at the same time, which is a great challenge to nuclear engineering. For this study, a new multiscale algorithm combining the concept of first-passage process, asynchronous event-driven system and separate solvers design has been developed to provide a new solution to the simulation of defect cluster diffusion and reaction system. This project covers the design of algorithm, the design of framework of code systems and the development of prototype code.
The new method is able to simulate the full dynamics of defect cluster reaction and diffusion. It greatly lowers down the time complexity in tradition kinetic Monte Carlo simulation systems, accelerates the simulation for large scale, overcomes the troubles to handle local events and guarantees a flexibility to simulate multiple scenarios within same framework.
Citation
Fan, Jiangyuan (2019). A New Multiscale Algorithm and the Framework of Code Systems for Advanced Defect Cluster Dynamics Simulations. Doctoral dissertation, Texas A & M University. Available electronically from https : / /hdl .handle .net /1969 .1 /185075.