Vatti, A. K.; Todorova, M.; Neugebauer, J.: Ab Initio Determined Phase Diagram of Clean and Solvated Muscovite Mica Surfaces. Langmuir 32 (4), pp. 1027 - 1033 (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)
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)
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of ions in water: An ab initio molecular dynamics study. 2nd German-Austrian Workshop on "Computational Materials Science on Complex Energy Landscapes", Kirchdorf, Austria (2015)
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Modelling Mica from first-principles. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (2013)
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Zn-ions in water: An ab initio molecular dynamics study. ICMR Workshop - Workshop on Charged Systems and Solid/Liquid Interfaces, University of California , Santa Barbara, USA (2015)
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)
Vatti, A. K.: An ab initio study of muscovite mica and formation energy of ions in liquid water. Dissertation, Fakultät für Maschinenbau der Ruhr-Universität Bochum, Bochum, Germany (2016)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
In this project we developed a phase-field model capable of describing multi-component and multi-sublattice ordered phases, by directly incorporating the compound energy CALPHAD formalism based on chemical potentials. We investigated the complex compositional pathway for the formation of the η-phase in Al-Zn-Mg-Cu alloys during commercial…
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…
This project aims to investigate the influence of grain boundaries on mechanical behavior at ultra-high strain rates and low temperatures. For this micropillar compressions on copper bi-crystals containing different grain boundaries will be performed.
Within this project we investigate chemical fluctuations at the nanometre scale in polycrystalline Cu(In,Ga)Se2 and CuInS2 thin-flims used as absorber material in solar cells.