Gomell, L.: Advancing the understanding of the microstructure-property relationship in non-toxic and cost-effective thermoelectric Heusler compounds. Dissertation, Fakultät für Georessourcen und Materialtechnik der RWTH Aachen, Germany (2022)
Yilmaz, C.: Influence of Processing Parameters, Crystallography and Chemistry of Defects on the Microstructure and Texture Evolution in Grain-Oriented Electrical Steels. Dissertation, RWTH Aachen, Germany (2022)
Prithiv, T. S.: Grain boundary segregation of boron and carbon and their local chemical effects on the phase transformations in steels. Dissertation, Faculty of Georesources and Materials Engineering of the RWTH Aachen, Germany (2021)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
It is very challenging to simulate within DFT extreme electric fields (a few 1010 V/m) at a surface, e.g. for studying field evaporation, the key mechanism in atom probe tomography (APT). We have developed a straight-forward scheme to incorporate an ideal plate counter-electrode in a nominally charged repeated-slab calculation by means of a generalized dipole correction of the standard electrostatic potential obtained from fully periodic FFT.