CE09 - Nanomatériaux et nanotechnologies pour les produits du futur

Studying nucleation in nanoparticles synthesis using machine-learning assisted atomistic simulation – NucleFOx

Submission summary

A key challenge in today’s nanotechnologies is the control of the structural properties during the nanoparticle synthesis. Reaching a targeted synthesis of nanoparticles requires a much better understanding of the involved complex mechanisms and in particular of crystal nucleation which corresponds to the initial structure formation. However, with the current state-of-the-art both in terms of experiments and simulations, controlling nucleation during nanoparticle synthesis remains a glass ceiling that needs to be overcome. In our proposal, we first introduce an original simulation approach based on machine-learning that will allow us to perform large scale simulations while retaining the accuracy of quantum calculations. Then, prompted by the proposed numerical development, we will then study the example of iron oxides nanoparticles which offers a rich playground for fundamental understanding while also being considered in numerous technological applications

Project coordination

Julien Lam (CENTRE D'ELABORATION DE MATERIAUX ET D'ETUDES STRUCTURALES)

The author of this summary is the project coordinator, who is responsible for the content of this summary. The ANR declines any responsibility as for its contents.

Partner

CEMES CENTRE D'ELABORATION DE MATERIAUX ET D'ETUDES STRUCTURALES

Help of the ANR 295,288 euros
Beginning and duration of the scientific project: September 2021 - 48 Months

Useful links

Explorez notre base de projets financés

 

 

ANR makes available its datasets on funded projects, click here to find more.

Sign up for the latest news:
Subscribe to our newsletter