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)
Todorova, M.: From semiconductor defect chemistry to electrochemisty: New tools and insights. Workshop “Enabling methods for materials innovation: From quantum to mesoscale”, Gainesville, FL, USA (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…
Grain boundaries (GBs) are regions connecting adjacent crystals with different crystallographic orientations. GBs are a type of lattice imperfection, with their own structure and composition, and as such impact a material’s mechanical and functional properties. Structural motifs and phases formed at chemically decorated GBs can be of a transient…
Understanding hydrogen-microstructure interactions in metallic alloys and composites is a key issue in the development of low-carbon-emission energy by e.g. fuel cells, or the prevention of detrimental phenomena such as hydrogen embrittlement. We develop and test infrastructure, through in-situ nanoindentation and related techniques, to study…
Recently developed dual-phase high entropy alloys (HEAs) exhibit both an increase in strength and ductility upon grain refinement, overcoming the strength-ductility trade-off in conventional alloys [1]. Metastability engineering through compositional tuning in non-equimolar Fe-Mn-Co-Cr HEAs enabled the design of a dual-phase alloy composed of…
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…
Project C3 of the SFB/TR103 investigates high-temperature dislocation-dislocation and dislocation-precipitate interactions in the gamma/gamma-prime microstructure of Ni-base superalloys.