Marquardt, O.; Hickel, T.; Neugebauer, J.: A k.p approach to electronic states and Coulomb interaction in semiconductor quantum dots. Forschergruppentreffen Uni Bremen, Bremen, Germany (2007)
Grabowski, B.; Hickel, T.; Neugebauer, J.: From ab initio to materials properties: Accuracy and error bars of DFT thermodynamics. MMM Workshop, Barcelona, Spain (2007)
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Ab initio prediction of structural and thermodynamic properties of metals. International Max-Planck Workshop on Multiscale Materials Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
Hickel, T.; Neugebauer, J.: Ab initio description of grain boundaries and diffusion processes. Arbeitstreffen der Helmholtz-Allianz „HYPER“,, Darmstadt (2006)
Hickel, T.; Grabowski, B.; Neugebauer, J.: Temperature dependent properites of Ni2MnGa – An ab initio approach -. European Symposium on Martensitic Transformations (ESOMAT), Bochum (2006)
Hickel, T.: Ab initio description of Iron and Steel - The department of computational materials design -. Visit of ISIT at MPIE, MPIE, Düsseldorf (2006)
Hickel, T.; Grabowski, B.; Neugebauer, J.: Ferromagnetic shape memory alloys: Thermodynamic and magnetic properites. Joint group meeting at Material Research Laboratory of University of California, Santa Barbara, Santa Barbara, USA (2006)
Hickel, T.; Grabowski, B.; Neugebauer, J.: Temperature and magnetic field dependent properites of Ni2MnGa. Kolloquium zur Festkörpertheorie, Institut für Physik der Humboldt-Universtität zu Berlin, Berlin, Germany (2006)
Hickel, T.; Grabowski, B.; Neugebauer, J.: Temperature and magnetic field dependent properites of Ni2MnGa. DPG Spring Meeting of the Division Condensed Matter, Dresden, Germany (2006)
Hickel, T.; Grabowski, B.; Neugebauer, J.: Temperature dependent properites of Shape-memory alloys. Physics Seminar of Loughborough University, Loughborough, UK (2006)
Hickel, T.; Neugebauer, J.: Temperature-dependent ab initio investigation of the martensitic phase transition in magnetic SMAs. Kickoff-Workshop of SPP1239, Dresden, Germany (2005)
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…