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Computer simulation of fluid phase transitions | | N.B. Wilding
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12 Mar 2001 | | Subject: | Statistical Mechanics; Soft Condensed Matter | cond-mat.stat-mech cond-mat.soft | | Abstract: | The task of accurately locating fluid phase boundaries by means of computer simulation is hampered by problems associated with sampling both coexisting phases in a single simulation run. We explain the physical background to these problems and describe how they can be tackled using a synthesis of biased Monte Carlo sampling and histogram extrapolation methods, married to a standard fluid simulation algorithm. It is demonstrated that the combined approach provides a powerful method for tracing fluid phase boundaries. | | Source: | arXiv, cond-mat/0103248 | | Services: | Forum | Review | PDF | Favorites | |
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