Research Paper

Journal of Nanoparticle Research

, 13:4491

First online:

Ultrafast laser melting of Au nanoparticles: atomistic simulations

  • Ningyu WangAffiliated withDepartment of Material Science and Engineering, Laboratory for Multiscale Processing & Characterization, Edison Joining Technology Center, The Ohio State University
  • , S. I. RokhlinAffiliated withDepartment of Material Science and Engineering, Laboratory for Multiscale Processing & Characterization, Edison Joining Technology Center, The Ohio State University Email author 
  • , D. F. FarsonAffiliated withDepartment of Material Science and Engineering, Laboratory for Multiscale Processing & Characterization, Edison Joining Technology Center, The Ohio State University

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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.

Keywords

Molecular dynamics Ultrafast laser Surface premelting Au nanoparticles Two-temperature model Percolation Nanoscale modeling and simulation