CMSNF Collaborations 

The Department of Energy's Scientific Discovery through Advanced
Computing program (SciDAC -- linkto supports
multidisciplinary research in a number of scientific areas. The
Center for Materials Science of Nuclear Fuels and the Towards Optimal
Petascale Simulations SciDAC Center for Enabling Technology (TOPS --
linkto ) have established a
computational partnership to accelerate efforts to model the
microstructural evolution of nuclear fuel.

Two related but distinct efforts are being pursued. The project
"Scalable Solvers for Fully Implicit Coupled Nuclear Fuel Modeling",
led by Prof. Xiao-Chuan Cai (mailto: of the
Department of Computer Science at the University of Colorado-Boulder
and TOPS, is exploring customized algorithms for time integration,
linear and nonlinear solvers, and linear and nonlinear preconditioners
for the phase field models that are used to model this microstructural
evolution. The project "Large-Scale Differential Variational
Inequalities for Heterogeneous Materials", led by Lois Curfman McInnes
(mailto: of the Mathematics and Computer Science
Division at Argonne National Laboratory (ANL) and TOPS, is developing an
alternative formulation of the governing equations as differential
variational inequalities along with specialized scalable software for
solving this new formulation.

An initial meeting to kick off this collaboration was held at Idaho
National Laboratory (INL) on August 19, 2010. This provided an
opportunity for the participants to meet and share information on work
that has been undertaken to date. The discussions centered on the set
of presentations below.

Phase Field Model Development for Microstructure and Compositional
Changes under Irradiation
- Prof. Anter El-Azab, Florida
State University and CMSNF

A Finite Element-Based Phase Field Model -
Dr. Michael Tonks, Nuclear Fuels and Materials Division, INL

Numerical Aspects of the Cahn-Hilliard Equations (no presentation yet)
- Prof. Xiao-Chuan Cai, University of Colorado-Boulder and TOPS

Large-Scale Differential Variational Inequalities for Heterogeneous
Materials: An introduction to a new SciDAC-e project in support of the
- Dr. Lois
Curfman McInness, Mathematics and Computer Science Division ANL and