FY2010 - Oak Ridge National Laboratory

Introduction
― Develop new model formulation for next-generation multiphysics computational fluid dynamics
solver
― Develop new/revised Message Passing Interface (MPI) standards that will help avoid failures and
recover from failures for applications expected to run on new-generation ultrascale computers
― Develop multiscale computational tools to investigate and optimize key variables of
supercapacitors based on nanoporous carbon material
― Develop tools to infer and predict social dynamics of groups through psycho textual and
communications flow analysis
― Develop high-throughput computational screening approach for rational drug design and drug
discovery in areas of systems medicine
― Develop computational biology toolbox for Cray with improved biological function prediction
model that will help translate the exponentially growing genomic data into useful information
Systems Biology and the Environment. Through this focus area, ORNL seeks to build capabilities at
the forefront of systems biology, bioengineering, and environmental science and their applications in
addressing grand challenges related to energy production and the environment. During FY 2010,
LDRD investments totaling $2.03 million were made to support eight projects to accomplish the
following .
― Identify, using neutron scattering capability, metabolic and energetics interdependencies of
organisms which have simplest and most efficient symbiotic relationship
― Develop a next-generation computation system for biological annotation
― Develop biocatalysts for producing fuels and chemicals from synthesis gas
― Identify genetic and environmental constraints to primary productivity in model and nonmodel
species
― Develop novel bio-inspired catalytic approaches for transforming lignin to fuel or feedstocks
― Gain insights to atmospheric CO 2 mitigation through woody mass management
― Establish microbial consortia for consolidated bioprocessing that will help alter nitrogen and
sulfur cycles
Advanced Energy Systems. The intent of this focus area is to stimulate the development of new
technologies that have the potential to supply, distribute, and use energy with high efficiency, at low
cost, and with low environmental risk. Toward this goal, the Laboratory invested $3.99 million in
FY 2010 to support 11 projects in a wide range of energy technologies, including fuel reprocessing
separations, advanced fuel cell electrolytes, and radiochemistry application to nuclear forensics.
Efforts focused on development of the following.
― Technology for efficient power transfer to electric vehicles
― Technology to improve the efficiency of internal combustion engines
― Methods for removal of americium from spent nuclear fuel
― Understanding critical pieces of information for advanced high-temperature reactor design
― Advanced Cermet waste form concepts for the optimal storage of high-level wastes
― Next-generation radiation transport modeling and simulation
― Simulation modeling of electric power system at geographic scale
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