@inproceedings{upm11738, title = {Li \& Pb MD Sinulations}, year = {2011}, booktitle = {Proceedings of 38th International Conference on Plasma Science (ICOPS)}, 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.}, author = {Fraile Garc{\'i}a, Alberto and Cuesta Lopez, Santiago and Perlado Mart{\'i}n, Jos{\'e} Manuel and Caro, Alfredo}, url = {https://engineering.purdue.edu/ICOPS2011/} }