The German Research Foundation just announced that CRC 1411 will receive funding until 2028.
The long-term vision of CRC1411 is to develop particle systems with controlled size, shape and composition. The innovative approach in CRC1411 is is that these materials are first developed and optimized for specific product properties in computer models. In the second step, the computer then predicts optimal synthesis conditions that lead to particles with these desired properties. This approach reverses typical manufacturing processes and promises fast and resource-efficient access to functional particle-based materials with optimal characteristics.
Carlos Lange Bassani received an EAM Starting Grant. This grant is an encouragement for young researchers to venture into inovative and risky projects, and is a stepping stone towards ERC grant applications. Congratulations!
Nanocrystal (NC) superlattices are a novel way to design functional materials. Nanomaterial chemists thrived in forming NCs with controlled size and shape and assembling them into superstructures. Functionality of these materials relies on precise control of NC habits and superstructure formation, as well as on the electronic coupling between NCs –that is, it is an inherently multiscale process–, but multiscale models did not keep pace with recent advances in the field.
The proposed project upscales from atomic to realistic-sized NCs with 10s-of-millions of atoms via rejection-free kinetic Monte Carlo based on the semi-Gibbs ensemble. Of interest is the role of strain accumulation affected by defects, lattice mismatch, and geometric frustration, thus kinetically entrapping NCs into lower symmetry habits –that is, NC shapes that do not comply with the symmetry of the underlying crystalline structure. Coupling with reactor scales (the environment) to understand mass transfer-limited crystallization is also pivotal to predicting the yield of denser NC populations. A multiscale understanding from atom-to-NC-to-environment will optimize NC synthesis conditions and design strategies for new NC habits.
For the next five months, Prof. Tomoko Mizuguchi from Kyoto Institute of Technology is spending her sabbatical in our group. Tomoko is researching molecular simulations in biophysics, chemical physics and soft matter. Welcome to Erlangen!
Carlos Lange Bassani received the Best Poster Award at the International Conference on Gas Hydrates – ICGH10 (https://icgh10.com/) held in Singapore from 9 to 14 of July, 2023, for the work entitled “A New Approach for Gas Hydrate Slurry Flow based on a Multiscale Model for Multiphase Flow”, in collaboration with Colorado School of Mines/USA, Mines Saint-Etienne/France, and UTFPR/Brazil.
ICGH is the most important conference in the field of gas clathrate hydrates and takes place every 3 years. Carlos Lange Bassani acknowledges the Alexander von Humboldt Foundation for the sponsorship of his postdoctoral fellowship and the Emerging Talents Initiative of the Friedrich-Alexander-Universität Erlangen-Nürnberg that allowed the participation in the conference.
Carlos Lange Bassani received a Humboldt Research Followship. The Humboldt Fellowship allows researchers from abroad in all disciplines to carry out their own long-term research project in collaboration with an academic host of their choice at a research institution in Germany.
The faculty of engineering highlighted the prestigous award with a Research Profile.