Aufsatz
Numerical Investigation of Ultrashort Laser-Ablative Synthesis of Metal Nanoparticles in Liquids Using the Atomistic-Continuum Model
Abstract
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.
Sponsorship
Gefördert durch den Publikationsfonds der Universität KasselCitation
@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},
journal={Molecules},
year={2019}
}
0500 Oax 0501 Text $btxt$2rdacontent 0502 Computermedien $bc$2rdacarrier 1100 2019$n2019 1500 1/eng 2050 ##0##http://hdl.handle.net/123456789/11412 3000 Ivanov, Dmitry S. 3010 Izgin, Thomas 3010 Maiorov, Alexey N. 3010 Veiko, Vadim P. 3010 Rethfeld, Baerbel 3010 Dombrovska, Yaroslava I. 3010 Garcia, Martin E. 3010 Zavestovskaya, Irina N. 3010 Klimentov, Sergey M. 3010 Kabashin, Andrei V. 4000 Numerical Investigation of Ultrashort Laser-Ablative Synthesis of Metal Nanoparticles in Liquids Using the Atomistic-Continuum Model / Ivanov, Dmitry S. 4030 4060 Online-Ressource 4085 ##0##=u http://nbn-resolving.de/http://hdl.handle.net/123456789/11412=x R 4204 \$dAufsatz 4170 7136 ##0##http://hdl.handle.net/123456789/11412
<resource xsi:schemaLocation="http://datacite.org/schema/kernel-2.2 http://schema.datacite.org/meta/kernel-2.2/metadata.xsd"> 2020-01-13T09:42:45Z 2020-01-13T09:42:45Z 2019-12-24 doi:10.17170/kobra-20200110911 http://hdl.handle.net/123456789/11412 Gefördert durch den Publikationsfonds der Universität Kassel eng Urheberrechtlich geschützt https://rightsstatements.org/page/InC/1.0/ pulsed laser ablation in liquids femtosecond laser ablation dual nanoparticle distribution metal nanoparticles 530 Numerical Investigation of Ultrashort Laser-Ablative Synthesis of Metal Nanoparticles in Liquids Using the Atomistic-Continuum Model Aufsatz 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. open access 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. doi:10.3390/molecules25010067 publishedVersion ISSN 1420-3049 Issue 1 Molecules 67 Volume 25 </resource>
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