TY  - CONF
A1  - Fraile García, Alberto
A1  - Cuesta Lopez, Santiago
A1  - Perlado Martín, José Manuel
A1  - Caro, Alfredo
M2  - Chicago, EEUU
T2  - 38th International Conference on Plasma Science (ICOPS)
TI  - Li & Pb MD Sinulations
Y1  - 2011///
AV  - public
ID  - upm11738
N2  - 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.
UR  - https://engineering.purdue.edu/ICOPS2011/
ER  -