Ackers, M.: Recommissioning of a metal powder atomisation system and investigation of its suitability to produce powders for additive Manufacturing processes. Master, Ruhr-Universität Bochum, Bochum, Germany (2017)
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
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…
Complex simulation protocols combine distinctly different computer codes and have to run on heterogeneous computer architectures. To enable these complex simulation protocols, the CM department has developed pyiron.
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…
Atom probe tomography (APT) is a material analysis technique capable of 3D compositional mapping with sub-nanometer resolution. The specimens for APT are shaped as sharp needles (~100 nm radius at the apex), so as to reach the necessary intense electrostatic fields, and are typically prepared via focused ion beam (FIB) based milling.
Hydrogen induced embrittlement of metals is one of the long standing unresolved problems in Materials Science. A hierarchical multiscale approach is used to investigate the underlying atomistic mechanisms.