Back to Search
Start Over
Phase changes in selected Lennard-Jones X13-nYn clusters.
- Source :
-
Journal of Chemical Physics . 7/8/2004, Vol. 121 Issue 2, p856-867. 12p. 2 Charts, 13 Graphs. - Publication Year :
- 2004
-
Abstract
- 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. © 2004 American Institute of Physics. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 121
- Issue :
- 2
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 13804001
- Full Text :
- https://doi.org/10.1063/1.1759625