Abstract
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Pb17Li is today a reference breeder material in diverse fusion R&D programs worldwide. Extracting dynamic and structural properties of liquid LiPb mixtures via molecular dynamics simulations, represent a crucial step for multiscale modeling efforts in order to understand the suitability of this compound for future Nuclear Fusion technologies. At present a Li-Pb cross potential is not available in the literature. Here we present our first results on the validation of two semi-empirical potentials for Li and Pb in liquid phase. Our results represent the establishment of a solid base as a previous but crucial step to implement a LiPb cross potential. Structural and thermodynamical analyses confirm that the implemented potentials for Li and Pb are realistic to simulate both elements in the liquid phase. | |
International
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Si |
Congress
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15th International Conference on Emerging Nuclear Energy Systems (ICENES 2011) |
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960 |
Place
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San Francisco, CA, EEUU |
Reviewers
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Si |
ISBN/ISSN
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1536-1055 |
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Start Date
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15/05/2011 |
End Date
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19/05/2011 |
From page
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77 |
To page
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82 |
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Transactions of fusion science adn technology |