Physics – Condensed Matter – Statistical Mechanics
Scientific paper
2001-03-12
Physics
Condensed Matter
Statistical Mechanics
Tutorial article, American Journal of Physics
Scientific paper
10.1119/1.1399044
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.
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