Superheating in metal nanoparticles with non-melting surfaces |
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Authors: | S C Hendy and D Schebarchov |
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Institution: | (1) MacDiarmid Institute for Advanced Materials and Nanotechnology, Industrial Research Ltd, 5040 Lower Hutt, New Zealand;(2) School of Chemical and Physical Sciences, Victoria University of Wellington, 6140 Wellington, New Zealand |
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Abstract: | We construct microcanonical caloric curves for aluminium nanoparticles with non-melting surface facets and diameters of up
to 11 nm using molecular dynamics simulations. We find that fcc aluminium particles can be superheated above the bulk melting
temperature, but only for a finite range of particle sizes i.e. diameters between 5–9 nm. We also observe a critical particle
size where solid-liquid phase coexistence becomes stable, and a second larger critical size where premelted (100) facets can
coexist with solid (111) facets. Ultimately, it is the premelting of the (100) facets that appears to limit the superheating
effect in these particles. |
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Keywords: | PACS" target="_blank">PACS 68 08 -p Liquid-solid interfaces 61 46 Df Structure of nanocrystals and nanoparticles 68 18 Jk Phase transitions in liquid thin films |
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