The dynamics of rigid polyatomic systems, either molecules or rigid portions of large molecules, is described by cartesian equations of motion for its atoms. In comparison with the original version of the method of constraint
A computer simulation method is devised whereby the change in location of a triple point is followed as one of the parameters of the interaction potential is modified. The method, a two-dimensional Clapeyron integration, is illustrated here for the case of a hard-core plus repulsive Yukawa potential of variable range. The latter is a crude model for charge-stabilized colloids. It is shown that the body-centered-cubic (bcc) phase becomes metastable when the range of the Yukawa term is smaller than, approximately, one-sixth of the hard-core diameter.
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