Molecular-dynamics simulations of uranium microclusters

Structural stability and energetics of uranium microclusters, U-n (n = 3-13 , 27-137), have been investigated by molecular-dynamics simulations. An emp irical model potential energy function has been parameterised for the urani um element by using the dimer interaction potential energy profile of U-2, which is calculated by relativistic density functional method. Stable struc tures of the microclusters for n = 3-13 have been determined by molecular-d ynamics simulation. It has been found that uranium microclusters prefer to form three-dimensional compact structures. Molecular-dynamics simulations h ave also been performed for spherical uranium clusters with sizes n = 27-13 7.