Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 121, Issue 2, Pages 856-867Publisher
AMER INST PHYSICS
DOI: 10.1063/1.1759625
Keywords
-
Ask authors/readers for more resources
Detailed studies of the thermodynamic properties of selected binary Lennard-Jones clusters of the type X13-nYn (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. (C) 2004 American Institute of Physics.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available