title: Li & Pb MD Sinulations
creator: Fraile García, Alberto
creator: Cuesta Lopez, Santiago
creator: Perlado Martín, José Manuel
creator: Caro, Alfredo
subject: Industrial Engineering
subject: Chemistry
description: 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.
publisher: E.T.S.I. Industriales (UPM)
rights: https://creativecommons.org/licenses/by-nc-nd/3.0/es/
date: 2011
type: info:eu-repo/semantics/conferenceObject
type: Presentation at Congress or Conference
source: Proceedings of 38th International Conference on Plasma Science (ICOPS) | 38th International Conference on Plasma Science (ICOPS) | 26/06/2011 - 30/06/2011 | Chicago, EEUU
type: PeerReviewed
format: application/pdf
language: eng
relation: https://engineering.purdue.edu/ICOPS2011/
rights: info:eu-repo/semantics/openAccess
identifier: https://oa.upm.es/11738/