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A Monte Carlo study of phase transitions in a fcc octopolar array

The Journal of Chemical Physics, ISSN: 0021-9606, Vol: 75, Issue: 2, Page: 985-992
1981
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Orientational orders of an octopolar array in a fcc lattice are studied by Monte Carlo simulations. Thermodynamic properties and order parameters of several phases are worked out. In particular, the relative stability of each phase is carefully studied through free energy calculations. The results are compared with those obtained from a mean field approximation (MFA). It turns out that an intermediate phase by the MFA is not stable at any temperature and that a single phase transition occurs instead of a double phase transition, contrary to the results from the MFA. © 1981 American Institute of Physics.

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