Abstract
Metallic nanoparticles (NP) possess unique properties, distinct from bulk materials, offering potential application in mechanics, catalysis and optics. This thesis examines how NPs’ mechanical properties, influenced by shape, size, and composition, affect their electronic properties. Using Molecular Dynamics and Finite Element simulations, we demonstrate shape’s significant effect on the effective elastic response. Our findings highlight that plasticity is controlled by both shape and size with a universal size effect for face-centered-cubic crystalline NPs. In alloyed structures, both strengthening and softening mechanisms are observed, indicating local order’s influence on elasticity and plasticity. Finally, through tight-binding and ab initio calculations, we reveal that plastic deformation creates new reactive NP surface sites.
PhD candidate:
Matteo Erbi’
Jury:
Pr. Riccardo Ferrando – University of Genoa (Italy)- Referee
Dr. Julien Godet – University of Poitiers – Referee
Pr. Francesco Montalenti – University of Milan-Bicocca (Italy) – Reviewer
Dr. Christine Mottet – CINaM – Reviewer
Dr. Fabio Pietrucci – Sorbonne University – Reviewer
Dr. Barbaru Putz- Empa (Suisse) – Reviewer
Dr. Riccardo Gatti – LEM – PhD co-supervisor
Dr. Hakim Amara – LEM – PhD supervisor
Friday 24th November 2023 at 2 pm
Contensou Room, ONERA, 29 Avenue de la Division Leclerc,92320, Chatillôn
