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A Haracterization of Advanced Materials Under Extreme Environments For Next Generation Energy Systems
A Haracterization of Advanced Materials Under Extreme Environments For Next Generation Energy Systems
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Identify new, emerging, and scientifically challenging areas in materials and chemical sciences
that have the potential for significant impact on advanced nuclear energy systems
Enormous and broad implications in the materials science and chemistry of complex systems:
New understanding is required for microstructural evolution and phase stability under extreme chemical
and physical conditions, chemistry and structural evolution at interfaces, chemical behavior of actinide and
fission-product solutions, and nuclear and thermo-mechanical phenomena in fuels and waste forms.
First-principles approaches are needed to describe -electron systems, design molecules for separations,
and explain materials failure mechanisms. Nanoscale synthesis and characterization methods are needed to
understand and design materials and interfaces with radiation, temperature, and corrosion resistance.
New multiscale approaches are needed to integrate this knowledge into accurate models of relevant
phenomena and complex systems across multiple length and time scales.
The fundamental challenge:
temperatures to 1000ºa,
u Workshop on Basic Research Needs or Advanced Nuclear nergy Systems, July 2006
Structure ± Property aorrelation
aoncept Materials
Role of Experiments
Modeling and Simulation across length/time
scales, from electrons, atoms to the continuum
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uynamics of Metals ± a large multiscale modeling ASaI
program at the Lawrence Livermore National Laboratory
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Unit Process in Mechanical behavior
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soft phonons
Nonlocal instability criterion for homogenous nucleation of a dislocation
J. Li et al., Nature ", 307 (2002)
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