Post-lithium batteries are the next frontier in energy storage technology, aiming to overcome the limitations of current lithium-ion batteries in terms of energy density, cost, safety, and environmental impact across various applications, from portable electronics to electric vehicles and grid storage. However, significant research and development are still needed to overcome technical challenges and bring these technologies to commercial viability. As part of the Cluster of Excellence, POLiS, our group is doing research on improved electrode materials and battery design with computational methods such as simulation, machine learning and research data management.
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Anastasia August won 1st place at the Science Slam in Weingarten on 13.04.2024. With an impressive 195 out of 200 points, she prevailed against strong competition. The award recognizes her captivating presentation in this unique format of science communication. Congratulations!
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In this publication, we consider a droplet depositing on a solid surface. By addressing the thermodynamic equilibrium of liquid-solid-gas phases, we derive a generalized Young's law and reveal an alternative physical mechanism for contact angle hysteresis. The key point for the present finding is the partial penetration of the liquid species into the solid phase at the micro-scale.
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What factors determine how quickly a battery can be charged? Researchers at the Karlsruhe Institute of Technology (KIT) are investigating this and other questions using computer-aided simulations. Microstructure models are helping to discover and investigate new electrode materials. For sodium-nickel-manganese oxide as a cathode material in sodium-ion batteries, the simulations show changes in the crystal structure during the charging process. These lead to elastic deformation, which causes the capacity to shrink. The researchers report their findings in the journal npj Computational Materials.
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We are happy to announce the joint conference of the 10th GAMM Workshop on phase-field modeling and the workshop "Materials/Microstructure modeling: Analytics & Benchmarks", a joint meeting of the working group "Phase Field Modeling" of the expert committee "Materials Modeling, Simulation and Data" of the Deutsche Gesellschaft für Materialkunde e.V. (DGM) and the MaTeLiS Focus Field "Virtual Materials Design and Digitalization" at the KIT. This event provides an inspiring platform for scientists to present the latest findings and advances in materials and microstructure modeling in the context of the phase-field method. Further information can be found here.
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The Alexander von Humboldt Foundation has awarded Neha Gawande the prestigious fellowship for her postdoctoral research. Her research project is entitled 'Multiphysics modelling of a freezing cloud droplet for the prediction of secondary ice production rates'. We congratulate her warmly and are already looking forward to a productive collaboration!
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At „Futurium Slam: Einmal auftanken!“, 22.01.2022, Anastasia August got awarded first runner up for her contribution „Wärme speichern wie ein Bär“. The prize in the context of the online Science Slam of Futurium Berlin awards her thriving presentation in in this special format of science communication. Congratulations!
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On January 21, 2022, the Heidelberg Academy of Sciences accepted Britta Nestler as a new member of the Department of Computational Materials Research. The election is considered a high honour for scientists. The MMS congratulates!
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On January 1st, 2022, two new parts emerged from the former Institute for Applied Materials - Computational Materials Science (IAM-CMS), as parts of the IAM, into which the IAM-CMS will be split – the IAM-MMS and the IAM-ZM.
The newly founded parts "Material Modelling and Simulation" (MMS) is headed by Prof. Britta Nestler and the parts "Reliability and Microstructure" (ZM) by Prof. Martin Dienwiebel, Prof. Peter Gumbsch and Prof. Christian Greiner.
To introduce the National Research Data Infrastructure (NFDI), the NFDI4Ing project was presented on October 15, 2020, by Professor Britta Nestler, as co-speaker at the inauguration event of the office in Karlsruhe. In an interview for the Campus-Report, following the opening of the office of the NFDI, Britta Nestler explains the importance of “preserving the treasure of raw data”.
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