Observatorio de I+D+i UPM

Memorias de investigación
Communications at congresses:
Molecular dynamics simulations of lead and lithium in liquid phase
Year:2011
Research Areas
  • Engineering
Information
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.
International
Si
Congress
15th International Conference on Emerging Nuclear Energy Systems (ICENES 2011)
960
Place
San Francisco, CA, EEUU
Reviewers
Si
ISBN/ISSN
1536-1055
Start Date
15/05/2011
End Date
19/05/2011
From page
77
To page
82
Transactions of fusion science adn technology
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 INNCIDE 2011 (OTR-2011-0236)
Cofinanciación del MINECO en el marco del Programa INNPACTO (IPT-020000-2010-22)