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Detailed studies of the thermodynamic properties of selected binary Lennard-Jones clusters of the type X13-nY (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.

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© 2004 American Institute of Physics.



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