Ikeda, Y.; Körmann, F.; Tanaka, I.; Neugebauer, J.: Impact of chemical fluctuations on stacking fault energies of CrCoNi and CrMnFeCoNi high entropy alloys from first principles. Entropy 20 (9), 655 (2018)
Gong, Y.; Ikeda, Y.; Körmann, F.; Neugebauer, J.: Ab initio computation of phase stability and interstitial alloying in bcc compositionally complex alloys. International Conference on High-Entropy Materials (ICHEM 2023), Knoxville, TN, USA (2023)
Neugebauer, J.; Ikeda, Y.; Körmann, F.: Materials design based on efficient sampling of high dimensional chemical and thermodynamic configuration spaces. Workflows for Atomistic Simulations, Ruhr-Universität Bochum, Online Meeting, Bochum, Germany (2021)
Ikeda, Y.; Ishibashi, S.; Neugebauer, J.; Körmann, F.: Tuning stacking-fault energies and local lattice distortions in high-entropy alloys. Theory of Complex Disorder in Materials (TCDM2019) , Linköping, Sweden (2019)
Ikeda, Y.; Körmann, F.; Neugebauer, J.: Impact of Interstitial Alloying of High Entropy Alloys from First Principles. TMS 2019, San Antonio, TX, USA (2019)
Ikeda, Y.; Körmann, F.; Neugebauer, J.: Impact of chemical compositions and interstitial alloying on the stacking fault energy of CrMnFeCoNi-based HEAs from first principles. The 2nd International Conference on High-Entropy Materials , Jeju, South Korea (2018)
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.
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
This project will aim at developing MEMS based nanoforce sensors with capacitive sensing capabilities. The nanoforce sensors will be further incorporated with in situ SEM and TEM small scale testing systems, for allowing simultaneous visualization of the deformation process during mechanical tests
The utilization of Kelvin Probe (KP) techniques for spatially resolved high sensitivity measurement of hydrogen has been a major break-through for our work on hydrogen in materials. A relatively straight forward approach was hydrogen mapping for supporting research on hydrogen embrittlement that was successfully applied on different materials, and…
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…
Photovoltaic materials have seen rapid development in the past decades, propelling the global transition towards a sustainable and CO2-free economy. Storing the day-time energy for night-time usage has become a major challenge to integrate sizeable solar farms into the electrical grid. Developing technologies to convert solar energy directly into…
Crystal Plasticity (CP) modeling [1] is a powerful and well established computational materials science tool to investigate mechanical structure–property relations in crystalline materials. It has been successfully applied to study diverse micromechanical phenomena ranging from strain hardening in single crystals to texture evolution in…