Ma, D.; Raabe, D.; Roters, F.; Friák, M.; Neugebauer, J.: Modeling Rolling Textures of Beta Ti Alloys Using Constitutive Data From Ab-initio Simulations. 15 th International Conference on the Texture of Materials (ICOTOM 15), Pittsburgh, PA, USA (2008)
Sander, B.; Ma, D.; Friak, M.; Neugebauer, J.; Raabe, D.: Texture Evolution during Casting and Hot Rolling of a β-Ti-Nb alloy. 15th International Conference on the Texture of Materials (ICOTOM 15), Carnegie Mellon University Center, Pittsburgh, PA, USA (2008)
Lymperakis, L.; Neugebauer, J.: Thermodynamics and adatom kinetic on non-polar GaN surfaces: origin of a strong growth anisotropy. E-MRS Spring meeting, Strasbourg, France (2008)
Lymperakis, L.; Neugebauer, J.: Ab-initio based calculation of GaN surfaces, interfaces, and extended defects. Colloquium Paul-Drude-Institut Berlin, Berlin, Germany (2008)
Marquardt, O.; Hickel, T.; Neugebauer, J.: Optical properties of semiconductor nanostructures including strain and piezoelectric effects. PARSEM meeting and workshop, Cambridge, UK (2008)
Hickel, T.; Uijttewaal, M.; Neugebauer, J.: Ab initio Investigations of Temperature Dependent Effects in MSM Alloys. Antragskolloquium SPP1239, Dresden, Germany (2008)
Neugebauer, J.: Optimizing materials properties and epitaxial growth of semiconductor devices by ab initio based multiscale modeling. Workshop "Molecular Modelling and Simulation in Applied Materials Science", Frankfurt a. M., Germany (2008)
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Using Ab Initio to Predict Engineering Parameters in bcc Magnesium-Lithium Alloys. American Physics Society March Meeting, New Orleans, LA, USA (2008)
Abu-Farsakh, H.; Neugebauer, J.: Enhancing N solubility in diluted nitrides by surface kinetics: An ab-initio study. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
Freysoldt, C.; Neugebauer, J.: Charged defects in a supercell formalism: From an empirical to a fully ab-initio treatment of finite-size effects. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Influence of vacancies and explicit anharmonicity. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
Kim, O.; Friák, M.; Neugebauer, J.: Ab initio analysis of the carbon solubility limits in various iron phases. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
Lymperakis, L.; Neugebauer, J.: Thermodynamics and adatom kinetics of non-polar GaN surfaces. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
Marquardt, O.; Hickel, T.; Neugebauer, J.: Plane-wave implementation of the k.p-formalism including strain and piezoelectricity to study the optical properties of semiconductor nanostructures. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
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…