Hickel, T.; Grabowski, B.; Neugebauer, J.: Temperature dependent properites of Shape-memory alloys. Physics Seminar of Loughborough University, Loughborough, UK (2006)
Lymperakis, L.; Neugebauer, J.: Electronic properties of non-stoichiometric dislocation cores in GaN. Materials Research Society fall meeting, Boston, MA, USA (2005)
Wahn, M.; Neugebauer, J.: The Bandgaps of GaN and InN in Zinc-blende and Wurtzite Phase: DFT Calculations Using the Exact Exchange (EXX) Functional. Workshop Forschergruppe Bremen, Bad Bederkesa, Germany (2005)
Hickel, T.; Neugebauer, J.: Temperature-dependent ab initio investigation of the martensitic phase transition in magnetic SMAs. Kickoff-Workshop of SPP1239, Dresden, Germany (2005)
Lymperakis, L.; Neugebauer, J.: The role of strain fields, core structure, and native defects on the electrical activity of dislocations in GaN. The 6th International Conference on Nitride Semiconductors, Bremen (2005)
Ismer, L.; Ireta, J.; Neugebauer, J.; Scheffler, M.: A DFT-GGA based thermodynamic analysis of the secondary structure of proteins. DPG-Jahrestagung, Berlin, Germany (2005)
Wahn, M.; Neugebauer, J.: Generalized Wannier functions: An accurate and efficient way to construct ab-initio tight-binding orbitals. DPG-Tagung, Berlin, Germany (2005)
Lymperakis, L.; Neugebauer, J.: Formation of steps and vicinal surfaces on GaN (0001) surfaces: Implications on surface morphologies and surface roughening. DPG spring meeting, Berlin, Germany (2005)
Neugebauer, J.: Ab initio Multiskalensimulationen zu Defekten und zum Wachstum von breitlückigen Halbleitern. SiC-Kolloquium, Universität Erlangen-Nürnberg (2005)
Schwarz, T.; Yang, J.; Aota, L. S.; Woods, E.; Zhou, X.; Neugebauer, J.; Todorova, M.; McCaroll, I.; Gault, B.: Analysis of the reactive solid-liquid interface during the corrosion of magnesium at the near atomic level using cryo-atom probe tomography. Aqueous Corrosion Gordon Research Conference (GRC) 2024, Corrosion Challenges and Opportunities for the Energy Transition, New London, CT, USA (2024)
Schwarz, T.; Yang, J.; Aota, L. S.; Woods, E.; Zhou, X.; Neugebauer, J.; Todorova, M.; McCaroll, I.; Gault, B.: Analysis of the reactive solid-liquid interface during the corrosion of magnesium at the near atomic level using cryo-atom probe tomography. Aqueous Corrosion Gordon Research Seminar (GRS) 2024, Corrosion Monitoring, Modelling and Mitigation Towards a Sustainable Future, New London, CT, USA (2024)
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…