Neugebauer, J.; Yang, J.; Todorova, M.; Hickel, T.: Constructing Defect Phase Diagrams from Ab Initio Calculations and CALPHAD Concepts. TMS Annual Meeting and Exhibition, San Diego, CA, USA (2023)
Neugebauer, J.; Körmann, F.; Hickel, T.: Ab Initio Descriptors to Guide Materials Design in High-dimensional Chemical and Structural Configuration Spaces. TMS Annual Meeting and Exhibition, San Diego, CA, USA (2022)
Neugebauer, J.; Zendegani, A.; Hickel, T.: Construction and Application of Defect Phase Diagrams. TMS Annual Meeting and Exhibition, Anaheim, CA, USA (2022)
Neugebauer, J.; Zendegani, A.; Hickel, T.: Defect phase diagrams as novel tool to understand and design tailored defect structures in advanced steels. Thermec2021, Virtual Meeting, Vienna, Austria (2021)
Hickel, T.: Application of Density Functional Theory in the Context of Phase Diagram Modelling. MSIT Winter School on Materials Chemistry, Virtual Event (2021)
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)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
Statistical significance in materials science is a challenge that has been trying to overcome by miniaturization as in micropillar compression. However, this process is still limited to 4-5 tests per parameter variance, i.e. Size, orientation, grain size, composition, etc. as the process of fabricating pillars and testing has to be done one by one.…
Because of their excellent corrosion resistance, high wear resistance and comparable low density, Fe–Al-based alloys are an interesting alternative for replacing stainless steels and possibly even Ni-base superalloys. Recent progress in increasing strength at high temperatures has evoked interest by industries to evaluate possibilities to employ…
This project (B06) is part of the SFB 1394 collaborative research centre (CRC), focused on structural and atomic complexity, defect phases and how they are related to material properties. The project started in January 2020 and has three important work packages: (i) fracture analysis of intermetallic phases, (ii) the relationship of fracture to…
Grain boundaries (GBs) affect many macroscopic properties of materials. In the case of metals grain growth, Hall–Petch hardening, diffusion, and electrical conductivity, for example, are influenced or caused by GBs. The goal of this project is to investigate the different GB phases (also called complexions) that can occur in tilt boundaries of fcc…