Li, Z.; Raabe, D.: Designing novel high-entropy alloys towards superior properties. Frontiers in Materials Processing Applications, Research and Technology (FiMPART'2017), Bordeaux, France (2017)
Li, Z.: Designing and understanding novel high-entropy alloys towards superior properties. Talk at Universität Kassel, Institut für Werkstofftechnik, Kassel, Germany (2017)
Jun, H.; Choi, P.-P.; Li, Z.; Raabe, D.: Design of dual-phase refractory multi-principle element alloys. 2nd International Conference on High-Entropy Materials (ICHEM 2018), Jeju, South Korea (2018)
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
Many important phenomena occurring in polycrystalline materials under large plastic strain, like microstructure, deformation localization and in-grain texture evolution can be predicted by high-resolution modeling of crystals. Unfortunately, the simulation mesh gets distorted during the deformation because of the heterogeneity of the plastic…
Integrated Computational Materials Engineering (ICME) is one of the emerging hot topics in Computational Materials Simulation during the last years. It aims at the integration of simulation tools at different length scales and along the processing chain to predict and optimize final component properties.
We simulate the ionization contrast in field ion microscopy arising from the electronic structure of the imaged surface. For this DFT calculations of the electrified surface are combined with the Tersoff-Hamann approximation to electron tunneling. The approach allows to explain the chemical contrast observed for NiRe alloys.
Data-rich experiments such as scanning transmission electron microscopy (STEM) provide large amounts of multi-dimensional raw data that encodes, via correlations or hierarchical patterns, much of the underlying materials physics. With modern instrumentation, data generation tends to be faster than human analysis, and the full information content is…