Computer simulation of fluid phase transitions
arXiv:cond-mat/0103248 · doi:10.1119/1.1399044
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.
Tutorial article, American Journal of Physics
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