It’s time for our third Tandem Webinar held by Chalmers Area of Advance Materials Science. When: 27 April 2021, at noon (12 am). Place: Online.
we will have two presentations dedicated to materials for batteries. Two hot topics will be covered, one on the use of digital twins for battery manufacturing and one on development and advanced modelling of battery electrolytes – from DFT to artificial intelligence.
The webinar is held on the platform zoom. To login and participate, click on the following link:
- Noon, at 12:00. The webinar starts. Moderator: Professor Maria Abrahamsson, Director Area of Advance Materials Science
Digital Twin of Battery Manufacturing, Alejandro A.Franco, Professeur des Universités, Université de Picardie Jules Verne, Junior Member of Institut Universitaire de France.
Advanced Modelling of Battery Electrolytes – From DFT to Artificial Intelligence, Patrik Johansson, Professor, Material Physic, Department of physics.
Digital Twin of Battery Manufacturing
The autonomy, life-time and safety of lithium-ion batteries (LIBs) strongly depends on the manufacturing process of their electrodes. This encompasses numerous steps and parameters influencing the final electrode properties: porosity, tortuosity, conductivity, etc. And finally affects the electrochemical behavior when the LIB is used in e.g. electric vehicles. The traditional approach to optimize the process is trial-and-error, which is both time consuming and costly. The ERC ARTISTIC project develops a digital twin of the LIB manufacturing process, couples machine learning to multi-scale physical modeling and high throughput experimental characterization. We can already predict with high accuracy the impact of manufacturing parameters on the electrode properties and final LIB behavior, promising to significantly accelerate the manufacturing optimization.
Prof. Alejandro A. Franco at the Université de Picardie Jules Verne (Amiens, France) is Junior Member of the Institut Universitaire de France and leads the Theory Open Platform of the ALISTORE European Research Institute. He is an expert on multiscale modeling and AI/ML techniques applied to battery research, and most notably has an ongoing ERC project on this topic: ARTISTIC.
Advanced Modelling of Battery Electrolytes – From DFT to Artificial Intelligence
The impact of battery technology on society is tremendous and it is a feat of materials science. However, we still need more understanding to enable truly rational optimization, especially w.r.t. the electrolyte & the electrolyte/electrode interfaces. By looking at various structure-dynamics relationships using a wide tool-box of modelling techniques and protocols, we can indeed reveal many profound details. Some examples targeted by DFT are the fundamentals of ligand-exchange and transport mechanisms, very important for more “exotic” systems, such as highly concentrated electrolytes, where many simplifications and the traditional know-how breaks down. At the other end we find artificial intelligence to be useful to evaluate the habits of researchers(!), but also for much more mundane things such as to classify electrolytes.
Prof. Patrik Johansson at the Department of Physics at Chalmers has for >25 years combined understanding of new materials at the molecular scale, often via ab initio/DFT computational methods and IR/Raman spectroscopy, with battery concept development and real battery performance. His special interest is different kinds of electrolytes stretching from liquids via gels and polymers to solids. He focuses on various next generation battery technologies: Na-ion, Li-S, Mg, Ca, Al, etc. Prof. Johansson was recently appointed vice-director of the Graphene Flagship and is also co-director of the ALISTORE European Research Institute. In 2015 his team won the Open Innovation Contest on Energy Storage arranged by BASF for his new ideas on Al-battery technology (prize sum 100,000€) and he recently started Compular AB together with two of his PhD students to market the CHAMPION software.
Seminar; Public lecture
27 April, 2021, 00:00
27 April, 2021, 13:00