Research Publications in journals:
Molecular Dynamics Simulations of Lead and Lithium in Liquid Phase
Molecular Dynamics Simulations of Lead and Lithium in Liquid Phase
Year:2011
Research Areas
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Engineering
Information
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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. | |
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International
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JCR
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Title
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Fusion Science and Technology |
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ISBN
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1536-1055 |
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Impact factor JCR
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0 |
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Impact info
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Volume
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61 |
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Journal number
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1 |
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From page
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77 |
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To page
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82 |
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Month
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SIN MES |
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Ranking
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Open Access publication
Participants
- Autor: Alberto Fraile García (UPM)
- Autor: Santiago Cuesta Lopez (UPM)
- Autor: Jose Manuel Perlado Martin (UPM)
Research Group, Departaments and Institutes related
- Creador: Grupo de Investigación: Fusión Nuclear Inercial y Tecnología de fusión
- Centro o Instituto I+D+i: Instituto de Fusión Nuclear
- Departamento: Ingeniería Nuclear
S2i 2021 Observatorio de investigación @ UPM con la colaboración del Consejo Social UPM
Cofinanciación del MINECO en el marco del Programa INNPACTO (IPT-020000-2010-22)