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Numerical Investigation of Ultrashort Laser-Ablative Synthesis of Metal Nanoparticles in Liquids Using the Atomistic-Continuum Model

Ivanov, Dmitry S.
Izgin, Thomas
Maiorov, Alexey N.
Veiko, Vadim P.
Rethfeld, Baerbel
Dombrovska, Yaroslava I.
Garcia, Martin E.
Zavestovskaya, Irina N.
Klimentov, Sergey M.
Kabashin, Andrei V.

We present a framework based on the atomistic continuum model, combining the Molecular Dynamics (MD) and Two Temperature Model (TTM) approaches, to characterize the growth of metal nanoparticles (NPs) under ultrashort laser ablation from a solid target in water ambient. The model is capable of addressing the kinetics of fast non-equilibrium laser-induced phase transition processes at atomic resolution, while in continuum it accounts for the effect of free carriers, playing a determinant role during short laser pulse interaction processes with metals. The results of our simulations clarify possible mechanisms, which can be responsible for the observed experimental data, including the presence of two populations of NPs, having a small (5–15 nm) and larger (tens of nm) mean size. The formed NPs are of importance for a variety of applications in energy, catalysis and healthcare.

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Sponsor
Gefördert durch den Publikationsfonds der Universität Kassel
Citation
In: Molecules Volume 25 / Issue 1 (2019-12-24) , S. 67; ISSN 1420-3049
Collections
@article{doi:10.17170/kobra-20200110911,
  author    ={Ivanov, Dmitry S. and Izgin, Thomas and Maiorov, Alexey N. and Veiko, Vadim P. and Rethfeld, Baerbel and Dombrovska, Yaroslava I. and Garcia, Martin E. and Zavestovskaya, Irina N. and Klimentov, Sergey M. and Kabashin, Andrei V.},
  title    ={Numerical Investigation of Ultrashort Laser-Ablative Synthesis of Metal Nanoparticles in Liquids Using the Atomistic-Continuum Model},
  copyright  ={https://rightsstatements.org/page/InC/1.0/},
  language ={en},
  journal  ={Molecules},
  year   ={2019-12-24}
}