Descripción
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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. | |
Internacional
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Si |
JCR del ISI
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Si |
Título de la revista
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Fusion Science and Technology |
ISSN
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1536-1055 |
Factor de impacto JCR
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0 |
Información de impacto
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Volumen
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61 |
DOI
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Número de revista
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1 |
Desde la página
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77 |
Hasta la página
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82 |
Mes
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SIN MES |
Ranking
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