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Fraile García, Alberto, Cuesta Lopez, Santiago and Perlado Martín, José Manuel ORCID: https://orcid.org/0000-0001-6907-4153
(2012).
Molecular dynamics simulations of lead and lithium in liquid phase.
In: "Fifteenth International Conference on Emerging Nuclear Energy Systems", 15/05/2011 - 19/05/2011, San Francisco, EEUU.
Title: | Molecular dynamics simulations of lead and lithium in liquid phase |
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Author/s: |
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Item Type: | Presentation at Congress or Conference (Article) |
Event Title: | Fifteenth International Conference on Emerging Nuclear Energy Systems |
Event Dates: | 15/05/2011 - 19/05/2011 |
Event Location: | San Francisco, EEUU |
Title of Book: | Fusion Science and Technology. Proceedings of the Fifteenth International Conference on Emerging Nuclear Energy Systems |
Date: | January 2012 |
Volume: | 61 |
Subjects: | |
Faculty: | E.T.S.I. Industriales (UPM) |
Department: | Ingeniería Nuclear [hasta 2014] |
Creative Commons Licenses: | Recognition - No derivative works - Non commercial |
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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.
Item ID: | 11641 |
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DC Identifier: | https://oa.upm.es/11641/ |
OAI Identifier: | oai:oa.upm.es:11641 |
Official URL: | http://www.new.ans.org/pubs/journals/fst/a_13400 |
Deposited by: | Memoria Investigacion |
Deposited on: | 12 Jul 2012 09:16 |
Last Modified: | 06 Sep 2017 17:22 |