Computer simulation of fluid phase transitions
نویسنده
چکیده
The goal of accurately locating fluid phase boundaries by means of computer simulation is hampered by difficulties associated with sampling both coexisting phases in a single simulation. We explain the background to these difficulties and describe how they can be tackled using a synthesis of biased Monte Carlo sampling and histogram extrapolation methods, in conjunction with a standard fluid simulation algorithm. The combined approach provides a powerful method for tracing fluid phase boundaries. © 2001 American Association of Physics Teachers. @DOI: 10.1119/1.1399044#
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