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
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…
In order to develop more efficient catalysts for energy conversion, the relationship between the surface composition of MXene-based electrode materials and its behavior has to be understood in operando. Our group will demonstrate how APT combined with scanning photoemission electron microscopy can advance the understanding of complex relationships…
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.