##
CMSNF Collaborations

The Department of Energy's Scientific Discovery through Advanced

Computing program (SciDAC -- linkto http://www.scidac.gov/) 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 http://www.scalablesolvers.org ) 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: cai@cs.colorado.edu) 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: curfman@mcs.anl.gov) 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

CMSNF - Dr. Lois

Curfman McInness, Mathematics and Computer Science Division ANL and

TOPS