Berlin 2024 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 28: Solid-Liquid Interfaces II: Structure and Spectroscopy

O 28.5: Vortrag

Dienstag, 19. März 2024, 11:30–11:45, H 1012

Molecular Dynamics Modeling of Pulsed Laser Fragmentation of Solid and Porous Si Nanoparticles in Liquid Media — •Dmitry Ivanov and Martin Garcia — University of Kassel, Kassel, Germany

The production of non-toxic and homogeneous colloidal solutions of nanoparticles (NPs) for biomedical applications is of extreme importance nowadays. Among the various methods for generation of NPs, pulsed laser ablation in liquids (PLAL) has proven itself as a powerful and efficient tool in biomedical fields, allowing chemically pure silicon nanoparticles to be obtained. Due to a number of complex and interrelated processes involved in the laser ablation phenomenon, however, the final characteristics of the resulting particles are difficult to control, and the obtained colloidal solutions frequently have broad and multimodal size distribution. Therefore, the subsequent fragmentation of the obtained NPs in the colloidal solutions due to pulsed laser irradiation can be utilized. The resulting NPs characteristics, however, depend on the parameters of laser irradiation as well as. Thus, reliable knowledge of the mechanism of NP fragmentation is necessary for generation of a colloidal solution with NPs of predesigned properties. To investigate the mechanism of a laser-assisted NP fragmentation process, in this work, we perform a large-scale molecular dynamics (MD) modeling of FS laser interaction with colloidal solution of Si NPs. The corresponding conclusion about the relative input of the properties of different laser-induced processes and materials to the mechanism of NP generation is drawn.

Keywords: Pulsed Laser Ablation in Liquids; Nanoparticles; Colloidal Solutions; Fragmentation