Ta, N.; Bilal, M. U.; Häusler, I.; Saxena, A.; Lin, Y.-Y.; Schleifer, F.; Fleck, M.; Glatzel, U.; Skrotzki, B.; Kamachali, R. D.: Simulation of the θ’ precipitation process with interfacial anisotropy effects in Al–Cu alloys. Materials 14 (5), 1280 (2021)
Ma, S.; Xing, F.; Ta, N.; Zhang, L.: Kinetic modeling of high-temperature oxidation of pure Mg. Journal of Magnesium and Alloys 8 (3), pp. 819 - 831 (2020)
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
It is very challenging to simulate electron-transfer reactions under potential control within high-level electronic structure theory, e. g. to study electrochemical and electrocatalytic reaction mechanisms. We develop a novel method to sample the canonical NVTΦ or NpTΦ ensemble at constant electrode potential in ab initio molecular dynamics…
The goal of this project is to develop an environmental chamber for mechanical testing setups, which will enable mechanical metrology of different microarchitectures such as micropillars and microlattices, as a function of temperature, humidity and gaseous environment.