Montecarlo simulation of the role of defects as the melting mechanism

Details Montecarlo simulation of the role of defects as the melting mechanism Montecarlo simulation of the role of defects as the melting mechanism

2000-06-21

arxiv.org/abs/cond-mat/0006332v2

Physics

Condensed Matter

Statistical Mechanics

6 page, 10 figures included. Corrected version to appear in Phys. Rev. B

Scientific paper

10.1103/PhysRevB.63.224103

We study in this paper the melting transition of a crystal of fcc structure with the Lennard-Jones potential, by using isobaric-isothermal Monte Carlo simulations. Local and collective updates are sequentially used to optimize the convergence. We show the important role played by defects in the melting mechanism in favor of modern melting theories.

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