The melting behavior of small clusters of atoms |
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Authors: | N Quirke Ping Sheng |
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Institution: | Corporate Research Science Laboratories, Exxon Research and Engineering Company, Clinton Township, Route 22 East, Annandale, New Jersey 08801, USA |
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Abstract: | The melting transition of small clusters composed of 13 particles interacting via the Lennard-Jones 6-12 potential has been investigated by means of extensive Metropolis Monte Carlo simulations. The results indicate that whereas the cluster evaporates in vacuum, in a confined pore the cluster undergoes a smooth melting transition from an icosahedral microcrystal to an inhomogeneous liquid phase, with a specific heat peak centered at 39 K. No evidence was found to support the suggestion of a solid-liquid transition in vacuum at 29 K. |
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