A new simulation approach to the freezing transition |
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Authors: | Nigel B. Wilding |
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Affiliation: | Department of Mathematical Sciences, The University of Liverpool, Liverpool L69 7BZ, UK |
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Abstract: | The task of accurately locating fluid-crystal phase boundaries by computer simulation is hampered by problems associated with traversing mixed-phase states. We describe a recently introduced Monte Carlo (MC) method that circumvents this problem by implementing a global coordinate transformation (“phase switch”) which takes the system from one pure phase to the other in a single MC step. The method is potentially quite general. We illustrate it by application to the freezing of hard spheres. |
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Keywords: | 64.70Dv 02.70.Lq |
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