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Cours Année : 2023

Multi-scale Modeling for Laser-based Nanotechnology

Tatiana Itina

Résumé

Nanoparticles have found numerous applications in various fields including medicine, solar energy and catalysis. In particular, bi-metallic, alloy, Janus and multi-component nanoparticles are particularly promising since they open a way of almost unlimited modifications of their absorption spectra, but also of their magneto-plasmonic or thermo-plasmonic properties. Among promising methods of nanoparticle synthesis, lasers-based methods are widely used for nanoparticle formation in liquids and in solid matrices, but also for nanoparticle sintering in 3D laser manufacturing, as well as for nanoparticle fragmentation in liquids, plasmas and in the atmosphere, for nanoparticle-assisted surface analysis (such as laser-induced breakdown spectroscopy, or LIBS), etc. Furthermore, short and ultra-short laser pulses are known to be particularly efficient for nano-objects and nanoalloys formation of normally immiscible materials. This becomes possible due to the absence of thermodynamic equilibrium during very fast laser heating process. Such laser interactions involve an excitation of the electronic sub-system followed by energy relaxation, material heating, phase transitions, emission, mixing, diffusion of various species. Additionally, thermo- , mechano- and magneto-plasmonic effects often affect the final results. In this talk, attention will be focused on multi-physical and multi-scale models simulating not only laser ablation but also size-dependent nanoparticle absorption and local field enhancement, photo-induced free carrier generation and heat transfer. Additionally, recent results of atomistic molecular dynamics simulations performed for binary nanoparticles and for multiple nanoparticle aggregates will be presented. The role of laser parameters, of nanoparticle size, temperature, cohesive energy, atomic mass, and initial composition will be analyzed. The challenges and further directions of laser-based nanotechnologies will be discussed.
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ujm-04183673 , version 1 (20-08-2023)

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  • HAL Id : ujm-04183673 , version 1

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Tatiana Itina. Multi-scale Modeling for Laser-based Nanotechnology. Doctoral. Invited seminar, Institut des Sciences Moléculaires d'Orsay, France. 2023. ⟨ujm-04183673⟩
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