화학공학소재연구정보센터
Journal of Chemical Physics, Vol.100, No.11, 8381-8384, 1994
Monte-Carlo Simulation of the CaF2
A Monte Carlo simulation of CaF2 in the canonical ensemble was carried but 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.