Large Scale Simulation of Nuclear Waste Materials

Radiation Effects in Nuclear Waste Materials

Large-scale atomistic materials simulation using quantum-accurate interatomic potentials

Molecular dynamics (MD) is a powerful condensed matter simulation tool for bridging between macroscopic continuum models and quantum models (QM) treating a few hundred atoms, but it is limited by the accuracy of the interatomic potential. Sound physical and chemical understandings of these interactions have resulted in a variety of concise potentials for certain systems, but it is diffi cult to...

Uncertainty Quantification and Management for Multi-scale Nuclear Materials Modeling Nuclear Energy Advanced Modeling and Simulation

To validate multiscale simulation models, it is necessary to consider evidence collected at a length scale that is different from the one at which a model predicts. In addition, epistemic and aleatory uncertainties need to be distinguished for more robust decision making. In this study, a Bayesian approach with generalized interval probability is taken for model parameter validation. A generali...

Nuclear waste: increasing scale and sociopolitical impacts.

The article argues that insufficient attention has been paid to the operational aspects of the U.S. radioactive waste management system when it grows to the scale necessary to handle wastes produced by a fully deployed plutonium economy. Without such information, many of the unsettling speculations which have become part of the public debate and are summarized herein cannot be clearly addressed...

effect of sub-grid scales on large eddy simulation of particle deposition in a turbulent channel flow

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