Parallel tempering simulations of the 13-center Lennard-Jones dipole-dipole cluster (muD=0-->0.5 a.u.).
We investigate the thermodynamic behavior of the thirteen center uniform Lennard-Jones dipole-dipole cluster [(LJDD)(13)] for a wide range of dipole moment strengths. We find a relatively wide range of potential parameters where solid-solid coexistence manifests itself. Using structural characterization methods we determine the shape of the few isomers that contribute to the solid-solid coexistence region. The thermal distributions of the size of the net dipole moment are broad even at the coldest temperatures of the simulation where the (LJDD)(13) cluster is solid.
Pav
Dawn M
DM
Department of Chemistry and Physics, Arcadia University, Glenside, Pennsylvania 19038, USA.
Curotto
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