Preliminary Comparison of Reaction Rate theory and Object Kinetic Monte Carlo Simulations of Defect Cluster Dynamics under Irradiation [electronic resource]
The multiscale modeling scheme encompasses models from the atomistic to the continuum scale. Phenomena at the mesoscale are typically simulated using reaction rate theory (RT), Monte Carlo (MC), or phase field models. These mesoscale models are appropriate for application to problems that involve in...
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| Main Authors: | , , , |
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| Format: | Government Document Electronic eBook |
| Language: | English |
| Published: |
Washington, D.C. : Oak Ridge, Tenn. :
United States. Office of the Assistant Secretary for Nuclear Energy ; distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
2006.
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| Subjects: |
MARC
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| 245 | 0 | 0 | |a Preliminary Comparison of Reaction Rate theory and Object Kinetic Monte Carlo Simulations of Defect Cluster Dynamics under Irradiation |h [electronic resource] |
| 260 | |a Washington, D.C. : |b United States. Office of the Assistant Secretary for Nuclear Energy ; |a Oak Ridge, Tenn. : |b distributed by the Office of Scientific and Technical Information, U.S. Department of Energy, |c 2006. | ||
| 336 | |a text |b txt |2 rdacontent. | ||
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| 500 | |a "ORNL/GEN4/LTR-06-030" | ||
| 500 | |a Stoller, Roger E; Golubov, Stanislav I; Becquart, C. S.; Domain, C. | ||
| 520 | 3 | |a The multiscale modeling scheme encompasses models from the atomistic to the continuum scale. Phenomena at the mesoscale are typically simulated using reaction rate theory (RT), Monte Carlo (MC), or phase field models. These mesoscale models are appropriate for application to problems that involve intermediate length scales ( m to >mm), and timescales from diffusion (̃ s) to long-term microstructural evolution (̃years). Phenomena at this scale have the most direct impact on mechanical properties in structural materials of interest to nuclear energy systems, and are also the most accessible to direct comparison between the results of simulations and experiments. Recent advances in computational power have substantially expanded the range of application for MC models. Although the RT and MC models can be used simulate the same phenomena, many of the details are handled quite differently in the two approaches. A direct comparison of the RT and MC descriptions has been made in the domain of point defect cluster dynamics modeling, which is relevant to both the nucleation and evolution of radiation-induced defect structures. The relative merits and limitations of the two approaches are discussed, and the predictions of the two approaches are compared for specific irradiation conditions. | |
| 536 | |b DE-AC05-00OR22725. | ||
| 650 | 7 | |a Building Materials. |2 local. | |
| 650 | 7 | |a Defects. |2 local. | |
| 650 | 7 | |a Diffusion. |2 local. | |
| 650 | 7 | |a Irradiation. |2 local. | |
| 650 | 7 | |a Kinetics. |2 local. | |
| 650 | 7 | |a Mechanical Properties. |2 local. | |
| 650 | 7 | |a Nuclear Energy. |2 local. | |
| 650 | 7 | |a Nucleation. |2 local. | |
| 650 | 7 | |a Point Defects. |2 local. | |
| 650 | 7 | |a Reaction Kinetics. |2 local. | |
| 650 | 7 | |a Simulation. |2 local. | |
| 650 | 7 | |a Energy Planning, Policy And Economy. |2 edbsc. | |
| 700 | 1 | |a Stoller, Roger E |4 aut. | |
| 700 | 1 | |a Golubov, Stanislav I |4 aut. | |
| 700 | 1 | |a Becquart, C. S. |4 aut. | |
| 700 | 1 | |a Domain, C. |4 aut. | |
| 710 | 2 | |a Oak Ridge National Laboratory. |4 res. | |
| 710 | 1 | |a United States. |b Office of the Assistant Secretary for Nuclear Energy. |4 spn. | |
| 710 | 1 | |a United States. |b Department of Energy. |b Office of Scientific and Technical Information. |4 dst. | |
| 856 | 4 | 0 | |u http://www.osti.gov/servlets/purl/969652/ |z Online Access |
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