Molecular-dynamics simulations of uranium microclusters

1999-02-01
Erkoç, Şakir
Bastug, T
Hirata, M
Tachimori, S
Structural stability and energetics of uranium microclusters, U-n (n = 3-13, 27-137), have been investigated by molecular-dynamics simulations. An empirical model potential energy function has been parameterised for the uranium element by using the dimer interaction potential energy profile of U-2, which is calculated by relativistic density functional method. Stable structures of the microclusters for n = 3-13 have been determined by molecular-dynamics simulation. It has been found that uranium microclusters prefer to form three-dimensional compact structures. Molecular-dynamics simulations have also been performed for spherical uranium clusters with sizes n = 27-137.

Citation Formats
Ş. Erkoç, T. Bastug, M. Hirata, and S. Tachimori, “Molecular-dynamics simulations of uranium microclusters,” JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, vol. 68, no. 2, pp. 440–445, 1999, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/50774.