Todorova, M.: Atomistic insights into surface stability and reactivity at solid/liquid interfaces from first principles calculations. Technical University Vienna, Vienna, Austria (2018)
Todorova, M.: Selective stabilization of polar oxide surfaces in electrochemical environment. Workshop: The Electrode Potential in Electrochemistry - A Challenge for Electronic Structure Theory Calculations, Schloß Reisensburg, Günzburg, Germany (2017)
Todorova, M.: Free energy sampling for electrochemical systems. Workshop II: Stochastic Sampling and Accelerated Time Dynamics on Multidimensional Surfaces, IPAM, UCLA, Los Angeles, CA, USA (2017)
Todorova, M.: Ab-initio modelling of electrochemical processes: Challenges and insights. Workshop: Fundamental Electrochemistry: Theory Meets Experiment, Leiden, The Netherlands (2017)
Todorova, M.: From semiconductor defect chemistry to electrochemistry: Insight into corrosion mechanisms from ab initio concepts. 57 Sanibel Symposium, St. Simon Island, GA, USA (2017)
Todorova, M.: From semiconductor defect chemistry to electrochemistry: Gaining new insights from computational physics tools. ICCP10 Conference , Macao, China (2017)
Todorova, M.: Oxide stability and defect chemistry in an electrochemical environment: an ab initio perspective. Workshop 2016 der DFG-Forschergruppe 1376 “Elementary reaction steps in electrocatalysis: Theory meets experiment“, Reisensburg, Günzburg, Germany (2016)
Surendralal, S.; Todorova, M.; Neugebauer, J.: Automated calculations for charged point defects in MgO and α-Fe2O3. DPG-Frühjahrstagung 2016, Regensburg, Germany (2016)
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Ab initio Determination of Formation Energies and Charge Transfer Levels of Charged Ions in Water. APS 2016, Baltimore, MD, USA (2016)
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Ions in Water using ab-initio Molecular Dynamics. DPG Frühjahrstagung 2016, Regensburg, Germany (2016)
Todorova, M.: Electrochemistry from the perspective of semiconductor defect chemistry: New tools and insights. Psi-k Conference, San Sebastian, Spain (2015)
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Halide ions (Cl/Br/I) in water from ab-initio Molecular Dyna. Psi-k 2015 Conference, San Sebastián, Spain (2015)
Todorova, M.: Thermodynamic stability of bulk oxides and their defects in an electrochemical environment. 5th Sino-German Symposium, Changchun, China (2015)
Hydrogen in aluminium can cause embrittlement and critical failure. However, the behaviour of hydrogen in aluminium was not yet understood. Scientists at the Max-Planck-Institut für Eisenforschung were able to locate hydrogen inside aluminium’s microstructure and designed strategies to trap the hydrogen atoms inside the microstructure. This can…
“Smaller is stronger” is well known in micromechanics, but the properties far from the quasi-static regime and the nominal temperatures remain unexplored. This research will bridge this gap on how materials behave under the extreme conditions of strain rate and temperature, to enhance fundamental understanding of their deformation mechanisms. The…
With the support of DFG, in this project the interaction of H with mechanical, chemical and electrochemical properties in ferritic Fe-based alloys is investigated by the means of in-situ nanoindentation, which can characterize the mechanical behavior of independent features within a material upon the simultaneous charge of H.
The goal of this project is the investigation of interplay between the atomic-scale chemistry and the strain rate in affecting the deformation response of Zr-based BMGs. Of special interest are the shear transformation zone nucleation in the elastic regime and the shear band propagation in the plastic regime of BMGs.
Biological materials in nature have a lot to teach us when in comes to creating tough bio-inspired designs. This project aims to explore the unknown impact mitigation mechanisms of the muskox head (ovibus moschatus) at several length scales and use this gained knowledge to develop a novel mesoscale (10 µm to 1000 µm) metamaterial that can mimic the…
Hydrogen embrittlement (HE) of steel is a great challenge in engineering applications. However, the HE mechanisms are not fully understood. Conventional studies of HE are mostly based on post mortem observations of the microstructure evolution and those results can be misleading due to intermediate H diffusion. Therefore, experiments with a…
Smaller is stronger” is well known in micromechanics, but the properties far from the quasi-static regime and the nominal temperatures remain unexplored. This research will bridge this gap on how materials behave under the extreme conditions of strain rate and temperature, to enhance fundamental understanding of their deformation mechanisms. The…