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Title: Hybrid models for the simulation of microstructural evolution influenced by coupled, multiple physical processes

Most materials microstructural evolution processes progress with multiple processes occurring simultaneously. In this work, we have concentrated on the processes that are active in nuclear materials, in particular, nuclear fuels. These processes are coarsening, nucleation, differential diffusion, phase transformation, radiation-induced defect formation and swelling, often with temperature gradients present. All these couple and contribute to evolution that is unique to nuclear fuels and materials. Hybrid model that combines elements from the Potts Monte Carlo, phase-field models and others have been developed to address these multiple physical processes. These models are described and applied to several processes in this report. An important feature of the models developed are that they are coded as applications within SPPARKS, a Sandiadeveloped framework for simulation at the mesoscale of microstructural evolution processes by kinetic Monte Carlo methods. This makes these codes readily accessible and adaptable for future applications.
Authors:
 [1] ;  [1] ;  [1] ;  [2] ;  [3] ;  [4]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  2. Carnegie Mellon Univ., Pittsburgh, PA (United States)
  3. Univ. of Florida, Gainesville, FL (United States). Dept. of Materials Science and Engineering
  4. Brigham Young Univ., Provo, UT (United States). Dept. of Mechanical Engineering
Publication Date:
OSTI Identifier:
1115320
Report Number(s):
SAND--2013-8440
481853
DOE Contract Number:
AC04-94AL85000
Resource Type:
Technical Report
Research Org:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Brigham Young Univ., Provo, UT (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS