Bleskov, I.; Körmann, F.; Hickel, T.; Neugebauer, J.: Impact of Magnetism on Thermodynamic Properties of Iron. International Symposium “Frontiers In Electronic Structure Theory And Multi Scale Modeling” (FEST-VEK), Moscow, Russia (2013)
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The influence of magnetic excitations on the phase stability of metals and steels. Seminar Talk at Institute for Pure and Applied Math, UCLA, University of California, Los Angeles, CA, USA (2012)
Palumbo, M.; Fries, S. G.; Hammerschmidt, T.; Körmann, F.; Hickel, T.: SAPIENS thermophysical database for pure elements: DFT and experiments. 18th Symposium on Thermophysical Properties, Boulder, CO, USA (2012)
Körmann, F.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Advancing ab initio methods to finite temperatures: The opening of new routes in materials design. Seminar Talk at Institute on Quantum Materials Science, Yekaterinburg, Russia (2012)
Dick, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: Thermodynamic properties of cementite including magnetic, vibronic, and electronic excitations from ab initio. TMS Annual meeting 2012, Orlando, FL, USA (2012)
Palumbo, M.; Fries, S. G.; Hammerschmidt, T.; Drautz, R.; Körmann, F.; Hickel, T.; Neugebauer, J.: SAPIENS, a DFT and experimental based thermophysical database for pure elements. DPG Frühjahrstagung 2012, Berlin, Germany (2012)
Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: The influence of magnetic excitations on the phase stability of metals and steels. ADIS2012: Thermodynamics and Kinetics, Ringberg, Germany (2012)
Dick, A.; Körmann, F.; Abbasi, A.; Hickel, T.; Neugebauer, J.: Towards an ab initio based understanding of deformation mechanisms in high-manganese Steels. 1st Int. Conf. on High Manganese Steels, Seoul, South Korea (2011)
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
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.
Statistical significance in materials science is a challenge that has been trying to overcome by miniaturization. However, this process is still limited to 4-5 tests per parameter variance, i.e. Size, orientation, grain size, composition, etc. as the process of fabricating pillars and testing has to be done one by one. With this project, we aim to…
Atom probe tomography (APT) provides three dimensional(3D) chemical mapping of materials at sub nanometer spatial resolution. In this project, we develop machine-learning tools to facilitate the microstructure analysis of APT data sets in a well-controlled way.
Atom probe tomography (APT) is one of the MPIE’s key experiments for understanding the interplay of chemical composition in very complex microstructures down to the level of individual atoms. In APT, a needle-shaped specimen (tip diameter ≈100nm) is prepared from the material of interest and subjected to a high voltage. Additional voltage or laser…