Janßen, J.; Hickel, T.; Neugebauer, J.: pyiron – an integrated development environment for ab initio thermodynamics. Potential Workshop, ICAMS, virtual, Bochum, Germany (2021)
Freysoldt, C.; Hickel, T.; Janßen, J.; Wang, N.; Zendegani, A.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. Coffee with Max Planck, virtual seminar organized by the MPIE, Düsseldorf, Germany (2021)
Hickel, T.; Freysoldt, C.; Janßen, J.; Wang, N.; Zendegani, A.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. Coffee with Max Planck, virtual seminar organized by the MPIE, Düsseldorf, Germany (2021)
Janßen, J.; Hickel, T.; Neugebauer, J.: pyiron – an integrated development environment for ab initio thermodynamics. AMS Seminar, virtual, Bochum, Germany (2020)
Neugebauer, J.; Lymperakis, L.; Janßen, J.; Huber, L.; Hickel, T.: Modeling crystal growth and materials design in high dimensional chemical and structural configuration spaces. German Conference on Crystal Growth DKT 2020, München/Garching, Germany (2020)
Hickel, T.: Application of Density Functional Theory in the Context of Phase Diagram Modelling. MSIT Winter School on Materials Chemistry, Virtual Event, Castle Ringberg, Tegernsee (2020)
Hickel, T.; McEniry, E.; Nazarov, R.; Dey, P.: Ab initio basierte Simulation zur Wasserstoffversprödung in hoch-Mn Stählen. Seminar der Staatlichen Materialprüfungsanstalt Darmstadt, Institut für Werkstoffkunde, Darmstadt, Germany (2020)
Hickel, T.; Aydin, U.; Sözen, H. I.; Dutta, B.; Pei, Z.; Neugebauer, J.: Innovative concepts in materials design to boost renewable energies. Seminar of Institute for Innovative Technologies, SRH Berlin University of Applied Sciences, Berlin, Germany (2020)
Janßen, J.; Hickel, T.; Neugebauer, J.: Automated ab-initio Determination of Materials Properties at finite Temperatures with pyiron. CNLS Seminar, Los Alamos, NM, USA (2019)
Neugebauer, J.; Huber, L.; Körmann, F.; Grabowski, B.; Hickel, T.: Ab initio input for multiphysics models: Accuracy, performance and challenges. ISAM4: The fourth International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics, Erlangen, Germany (2019)
Local lattice distortion is one of the core effects in complex concentrated alloys (CCAs). It has been expected that the strength CCAs can be improved by inducing larger local lattice distortions. In collaboration with experimentalists, we demonstrated that VCoNi has larger local lattice distortions and indeed has much better strength than the…
Laser Powder Bed Fusion (LPBF) is the most commonly used Additive Manufacturing processes. One of its biggest advantages it offers is to exploit its inherent specific process characteristics, namely the decoupling the solidification rate from the parts´volume, for novel materials with superior physical and mechanical properties. One prominet…
The aim of the current study is to investigate electrochemical corrosion mechanisms by examining the metal-liquid nanointerfaces. To achieve this, corrosive fluids will be strategically trapped within metal structures using novel additive micro fabrication techniques. Subsequently, the nanointerfaces will be analyzed using cryo-atom probe…
In this project we pursue recent developments in the field of austenitic steels with up to 18% reduced mass density. The alloys are based on the Fe-Mn-Al-C system.
Electro-responsive interfaces alter their properties in response to an electric potential trigger. Hence, such 'smart' interfaces offer exciting possibilities for applications in, for instance, microfluidics, separation systems, biosensors and -analytics.
The aim of the Additive micromanufacturing (AMMicro) project is to fabricate advanced multimaterial/multiphase MEMS devices with superior impact-resistance and self-damage sensing mechanisms.
In this project we study a new strategy for the theory-guided bottom up design of beta-Ti alloys for biomedical applications using a quantum mechanical approach in conjunction with experiments. Parameter-free density functional theory calculations are used to provide theoretical guidance in selecting and optimizing Ti-based alloys...