Phase changes in selected Lennard-Jones X_{13-n}Y_n clusters
  Detailed studies of the thermodynamic properties of selected binary Lennard-Jones clusters of the type X_{13-n}Y_n (where n=1,2,3) are presented. The total energy, heat capacity and first derivative of the heat capacity as a function of temperature are calculated by using the classical and path integral Monte Carlo methods combined with the parallel tempering technique. A modification in the phase change phenomena from the presence of impurity atoms and quantum effects is investigated. 
Dubravko Sabo, Cristian Predescu, J. D. Doll and David L. Freeman