Phys. Rev. E 65, 036710 (2002) [12 pages]Lattice-switch Monte Carlo method: Application to soft potentialsReceived 6 October 2001; published 7 March 2002 The lattice-switch Monte Carlo method, recently introduced and applied in the context of hard spheres, is extended to particles interacting through a soft potential. The method utilizes a transformation that switches between configurations of two different crystalline structures, allowing the phase space of both structures to be explored in a single simulation and the difference between their free energies to be determined directly. We apply the method to determine the fcc-hcp crystalline phase behavior of the classical Lennard-Jones solid. © 2002 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevE.65.036710
DOI:
10.1103/PhysRevE.65.036710
PACS:
02.70.Rr, 05.10.Ln, 65.20.+w, 64.70.Kb
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