Race, C. P.; von Pezold, J.; Neugebauer, J.: Simulations of Grain Boundary Migration via the Nucleation and Growth of Islands. MSE Congress 2012, Darmstadt, Germany (2012)
Albrecht, M.; Markurt, T.; Schulz, T.; Lymperakis, L.; Duff, A.; Neugebauer, J.; Drechsel, P.; Stauss, P.: Dislocation Mechanisms and Strain Relaxation in the Growth of GaN on Silicon Substrates for Solid State Lighting. International Conference on Extended Defects in Semiconductors, Thessaloniki, Greek (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)
Lymperakis, L.; Albrecht, M.; Neugebauer, J.: Excitonic emission from a-type screw dislocations in GaN. International Conference on Extended Defects in Semiconductors, Thessaloniki, Greek (2012)
Neugebauer, J.: Vacancy concentrations from 0K to the melting temperature in unary fcc metals: Discovery of large non-Arrhenius effects. CALPHAD 2012 Meeting, Berkeley, CA, USA (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)
Hickel, T.; Sandschneider, N.; Friák, M.; Neugebauer, J.; Ouyang, Y.: Ab initio determination of point defects and derived diffusion properties in metals. TMS Annual meeting 2012, Orlando, FL, USA (2012)
Neugebauer, J.: Ab initio thermodynamics: Status and perspectives. Workshop at State Key Laboratory of Powder Metallurgy, Central South University, Changsha, China (2012)
Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: The influence of ternary additions in the Fe2Nb C14 Laves phase. ICAMS Advanced Discussions, Bochum, Germany (2012)
Lips, K.; Fehr, M.; Schnegg, A.; Rech, B.; Astakhov, O.; Finger, F.; Pfanner, G.; Freysoldt, C.; Neugebauer, J.; Bittl, R.et al.; Teutloff, C.: The Staebler-Wronski Effect in a-Si:H Revisited with Advanced Electron Paramagnetic Resonance (EPR). MRS Spring Meeting, San Francisco, CA, USA (2012)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: The Dangling-bond Defect in Crystalline and Amorphous Silicon: Insights from Ab initio Calculations of EPR-parameters. MRS Spring Meeting, San Francisco, CA, USA (2012)
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…