Ultrafast laser melting of Au nanoparticles: atomistic simulations

作者：Wang Ningyu^*; Rokhlin S I; Farson D F

来源：Journal of Nanoparticle Research, 2011, 13(10): 4491-4509.

DOI：10.1007/s11051-011-0402-3

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

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.

• 出版日期2011-10