Li & Pb MD Sinulations

Fraile García, Alberto and Cuesta Lopez, Santiago and Perlado Martín, José Manuel 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:
  • Fraile García, Alberto
  • Cuesta Lopez, Santiago
  • Perlado Martín, José Manuel
  • Caro, Alfredo
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

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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: http://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
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