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Montecarlo simulation of the role of defects as the melting mechanism

Liliana Gomez·Ariel Dobry·Hung Diep
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Abstract

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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Liliana Gomez, Ariel Dobry, Hung Diep. 2001-03-06. Montecarlo simulation of the role of defects as the melting mechanism. https://doi.org/10.1103/physrevb.63.224103

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