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Li & Pb MD Sinulations
Citation
Fraile García, Alberto, Cuesta Lopez, Santiago, Perlado Martín, José Manuel 
ORCID: https://orcid.org/0000-0001-6907-4153 and Caro, Alfredo
(2011).
Li & Pb MD Sinulations.
In: "38th International Conference on Plasma Science (ICOPS)", 26/06/2011 - 30/06/2011, Chicago, EEUU.
Description
| Title: | Li & Pb MD Sinulations |
|---|---|
| Author/s: |
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| Item Type: | Presentation at Congress or Conference (Article) |
| Event Title: | 38th International Conference on Plasma Science (ICOPS) |
| Event Dates: | 26/06/2011 - 30/06/2011 |
| Event Location: | Chicago, EEUU |
| Title of Book: | Proceedings of 38th International Conference on Plasma Science (ICOPS) |
| Date: | 2011 |
| Subjects: | |
| Faculty: | E.T.S.I. Industriales (UPM) |
| Department: | Ingeniería Nuclear [hasta 2014] |
| Creative Commons Licenses: | Recognition - No derivative works - Non commercial |
Abstract
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.
More information
| Item ID: | 11738 |
|---|---|
| DC Identifier: | https://oa.upm.es/11738/ |
| OAI Identifier: | oai:oa.upm.es:11738 |
| Official URL: | https://engineering.purdue.edu/ICOPS2011/ |
| Deposited by: | Memoria Investigacion |
| Deposited on: | 09 Oct 2012 07:43 |
| Last Modified: | 07 Sep 2017 17:59 |
