Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
100 (1994), S. 8381-8384
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
A Monte Carlo simulation of CaF2 in the canonical ensemble was carried out using the Metropolis algorithm and the Soft-Core and Born–Mayer–Huggins potentials. By studying the behavior of the mean square displacement and the specific heat, the existence of a transition to a superionic phase at about 1470 K was confirmed. A partial occupation of the interstitial sites in this superionic phase was also found.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.466784
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