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Freezing by Monte Carlo Phase-Switch | N.B. Wilding
; A.D. Bruce
; | Date: |
5 Sep 2000 | Subject: | Statistical Mechanics; Soft Condensed Matter | cond-mat.stat-mech cond-mat.soft | Abstract: | We describe a Monte Carlo procedure which allows sampling of the disjoint configuration spaces associated with crystalline and fluid phases, within a single simulation. The method utilises biased sampling techniques to enhance the probabilities of gateway states (in each phase) which are such that a global switch (to the other phase) can be implemented. Equilibrium freezing-point parameters can be determined directly; statistical uncertainties prescribed transparently; and finite-size effects quantified systematically. The method is potentially quite general; we apply it to the freezing of hard spheres. | Source: | arXiv, cond-mat/0009062 | Services: | Forum | Review | PDF | Favorites |
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