1999 Volume 68 Issue 2 Pages 440-445
Structural stability and energetics of uranium microclusters, Un (n=3--13, , 27--137), have been investigated by molecular-dynamics simulations. An empirical modelpotential energy function has been parameterised for the uranium element byusing the dimer interaction potential energy profile of U2, whichis calculated by relativistic density functional method. Stable structures ofthe microclusters for n=3--13 have been determined by molecular--dynamics simulation. It has been found that uranium microclusters prefer to form three--dimensionalcompact structures. Molecular--dynamics simulations have also been performedfor spherical uranium clusters with sizes n=27--137.
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