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Pré-Publication, Document De Travail Année : 2023

Tuning Elastic Properties of Metallic Nanoparticles by Shape Controlling: From Atomistic to Continuous Models

Résumé

Understanding and mastering the mechanical properties of metallic nanoparticles is crucial for their use in a wide range of applications. In this context, we use atomic-scale (Molecular Dynamics) and continuous (Finite Elements) calculations to investigate in details gold nanoparticles under deformation. By combining these two approaches, we show that the elastic properties of such nanoobjects are driven by their size but, above all, by their shape. This outcome was achieved by introducing a descriptor in the analysis of our results enabling to distinguish among the different nanoparticle shapes studied in the present work. In addition, other transition-metal nanoparticles have been considered (copper and platinum) using the aforementioned approach. The same strong dependence of the elastic properties with the shape was revealed, thus highlighting the universal character of our achievements.
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Dates et versions

hal-04025590 , version 1 (12-03-2023)
hal-04025590 , version 2 (28-02-2024)

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Matteo Erbi, Hakim Amara, Riccardo Gatti. Tuning Elastic Properties of Metallic Nanoparticles by Shape Controlling: From Atomistic to Continuous Models. 2023. ⟨hal-04025590v1⟩
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