Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Zn-ions in water: An ab initio molecular dynamics study. ICMR Workshop - Advances in oxide materials: Preparation, properties, performance, University of California, Santa Barbara, CA, USA (2014)
Todorova, M.; Neugebauer, J.: Electrochemical Pourbaix phase diagrams from ab initio calculations. XLII CALPHAD Conference, San Sebastian, Spain (2013)
Cheng, S.-T.; Todorova, M.; Neugebauer, J.: Interactions of oxidizing species with the Mg(0001) surface: The role of electrostatic contributions. Connecting electrochemical and water simulations: Status and future challenges, Ringberg, Germany (2013)
Todorova, M.; Neugebauer, J.: Extending the concept of semiconductor defect chemistry to electrochemistry. Connecting electrochemical and water simulations: Status and future challenges, Ringberg, Germany (2013)
Todorova, M.; Neugebauer, J.: Extending the concept of semiconductor defect chemistry to electrochemistry. Workshop "Connecting electrochemical and water simulations: Status and future challenges", San Sebastian, Spain (2013)
Todorova, M.: On the accuracy of ion hydration enegies - An ab-initio study. Gordon Research Conference ''Corrosion - Aqueous'', Colby-Sawyer College, New London, NH, USA (2012)
Bauer, K.-D.; Todorova, M.; Hingerl, K.; Neugebauer, J.: Ab-initio Study on Liquid Metal Embrittlement in the Fe/Zn System. International Workshop on Ab initio Description of Iron and Steel (ADIS2012), Ringberg, Germany (2012)
Izanlou, A.; Todorova, M.; Friák, M.; Palm, M.; Neugebauer, J.: Theoretical study of the environmental effect of H-containing gases on Fe–Al surfaces. International Meeting on Iron Aluminide Alloys, Lanzarote, Canary Island, Spain (2011)
Todorova, M.; Valtiner, M.; Neugebauer, J.: Stabilisation of polar ZnO(0001) surfaces in dry and humid environment. FIESTAE - Frontiers in Interface Science: Theory and Experiment, Berlin, Germany (2011)
Todorova, M.; Valtiner, M.; Grundmeier, G.; Neugebauer, J.: Temperature Stabilised surface reconstructions at polar ZnO(0001). Gordon Research Seminar ''Corrosion - Aqueous'', Colby-Sawyer College, New London, NH, USA (2010)
Todorova, M.; Neugebauer, J.: Towards an ab initio description of corrosion. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)
Surendralal, S.; Todorova, M.: Automated Calculations for Charged Point Defects in Magnesium Oxide and Iron Oxides. Master, Ruhr-Universität Bochum, GermanyRuhr-Universität Bochum, Bochum, Germany (2016)
Hübel, K.; Rohwerder, M.; Scheu, C.; Todorova, M.: Organizer of the workshop “Status and Future Challenges in Characterisation of Interfaces for Electrochemical Applications - Part 1” at the MPIE. (2016)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
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…
This project is a joint project of the De Magnete group and the Atom Probe Tomography group, and was initiated by MPIE’s participation in the CRC TR 270 HOMMAGE. We also benefit from additional collaborations with the “Machine-learning based data extraction from APT” project and the Defect Chemistry and Spectroscopy group.
This project studies the mechanical properties and microstructural evolution of a transformation-induced plasticity (TRIP)-assisted interstitial high-entropy alloy (iHEA) with a nominal composition of Fe49.5Mn30Co10Cr10C0.5 (at. %) at cryogenic temperature (77 K). We aim to understand the hardening behavior of the iHEA at 77 K, and hence guide the future design of advanced HEA for cryogenic applications.
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…
The goal of this project is to optimize the orientation mapping technique using four-dimensional scanning transmission electron microscopy (4D STEM) in conjunction with precession electron diffraction (PED). The development of complementary metal oxide semiconductor (CMOS)-based cameras has revolutionized the capabilities in data acquisition due 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…