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Numerical calculation of the combinatorial entropy of partially ordered ice.
- Source :
-
Journal of Chemical Physics . Dec2007, Vol. 127 Issue 22, p224502. 6p. 2 Charts, 10 Graphs. - Publication Year :
- 2007
-
Abstract
- Using a one-parameter case as an example, we demonstrate that multicanonical simulations allow for accurate estimates of the residual combinatorial entropy of partially ordered ice. For the considered case, corrections to an (approximate) analytical formula are found to be small, never exceeding 0.5%. The method allows one as well to calculate combinatorial entropies for other systems. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 127
- Issue :
- 22
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 28001437
- Full Text :
- https://doi.org/10.1063/1.2800002