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Ultrafast laser melting of Au nanoparticles: atomistic simulations

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Abstract

In spite of the technological importance of laser modification and processing of nanoparticles, the interaction of laser energy with nanoparticles is not well understood. In this work, integrated molecular dynamics (MD) and two-temperature (TTM) computational models have been developed to study ultrafast laser interaction with free Au nanoparticles with sizes 2.44–6.14 nm. At low intensity, when surface premelting and solid–liquid phase transition dominate, a nonhomogeneous surface premelting mechanism was identified. The appearance of a contiguous surface liquid layer (complete surface premelting) is size dependent and is not related to surface premelting history. The effects of temporary superheating and stable supercooling of nanoparticles were found and examined.

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Acknowledgments

This research was financially sponsored by the National Science Foundation (NSF) under Grant No. DMI 0500454. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the National Science Foundation. The authors are also grateful for the award of computer time at the Ohio Supercomputer Center (OSC), without which intensive calculations would not be feasible.

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Correspondence to S. I. Rokhlin.

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Wang, N., Rokhlin, S.I. & Farson, D.F. Ultrafast laser melting of Au nanoparticles: atomistic simulations. J Nanopart Res 13, 4491 (2011). https://doi.org/10.1007/s11051-011-0402-3

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  • DOI: https://doi.org/10.1007/s11051-011-0402-3

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