The Melting Lines of Model Systems Calculated from Coexistence Simulations
نویسندگان
چکیده
We have performed large-scale molecular dynamics simulations of coexisting solid and liquid phases using 4e(s/r) interactions for n59 and n512, and for Lennard-Jones systems, in order to calculate the equilibrium melting curve. The coexisting systems evolve rapidly toward the melting temperature. The P – T melting curves agree well with previous calculations, as do the other bulk phase properties. The melting curve for the Lennard-Jones system, evaluated using various truncations of the potential, converges rapidly as a function of the potential cutoff, indicating that long-range corrections to the free energies of the solid and liquid phases very nearly cancel. This approach provides an alternative to traditional methods of calculating melting curves. © 2002 American Institute of Physics. @DOI: 10.1063/1.1474581#
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