Lymperakis, L.; Neugebauer, J.: Exploring the 5D configurational space of grain boundaries in aluminun: An ab-initio based multiscale analysis. MRS Fall Meeting, Boston, MA, USA (2006)
Wahn, M.; Neugebauer, J.: Generalized Wannier Functions: An efficient way to construct ab-initio tight-binding orbitals for group-III nitrides. 6th International Conference on Nitride Semiconductors, Bremen, Germany (2005)
Hickel, T.; Grabowski, B.; Neumann, K.; Neumann, K.-U.; Ziebeck, K. R. A.; Neugebauer, J.: Temperature dependent properties of Ni-rich Ni2MnGa. Materials Research Society fall meeting, Boston, MA, USA (2005)
Ismer, L.; Ireta, J.; Neugebauer, J.: Thermodynamic stability of the secondary structure of proteins: A DFT-GGA based vibrational analysis. IPAM-Workshop: Multiscale Modeling in Soft Matter and Bio-Physics, Los Angeles, CA, USA (2005)
Lymperakis, L.; Neugebauer, J.: Ab-initio based multiscale calculations of low-angle grain boundaries in Aluminium. Materials Research Society fall meeting, Boston, MA, USA (2005)
Neugebauer, J.: Application and Implementation of Electronic Structure Methods. Lecture: Ruhr-Universität Bochum, SS 2015, Bochum, Germany, April 01, 2015 - September 30, 2015
Neugebauer, J.: Application and Implementation of Electronic Structure Methods. Lecture: Ruhr-Universität Bochum, SS 2014, Bochum, Germany, April 01, 2014 - September 30, 2014
Neugebauer, J.: Application and Implementation of Electronic Structure Methods. Lecture: Ruhr-Universität Bochum, SS 2013 , Bochum, Germany, April 01, 2013 - September 30, 2013
Neugebauer, J.; Hickel, T.: Moderne Computersimulations-Methoden in der Festkörperphysik. Lecture: Hands-on-Tutorial, Ruhr-Universität Bochum, Bochum, Germany, September 20, 2010 - September 24, 2010
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
The project focuses on development and design of workflows, which enable advanced processing and analyses of various data obtained from different field ion emission microscope techniques such as field ion microscope (FIM), atom probe tomography (APT), electronic FIM (e-FIM) and time of flight enabled FIM (tof-FIM).
The goal of this project is to develop an environmental chamber for mechanical testing setups, which will enable mechanical metrology of different microarchitectures such as micropillars and microlattices, as a function of temperature, humidity and gaseous environment.
Crystal plasticity modelling has gained considerable momentum in the past 20 years [1]. Developing this field from its original mean-field homogenization approach using viscoplastic constitutive hardening rules into an advanced multi-physics continuum field solution strategy requires a long-term initiative. The group “Theory and Simulation” of…
The project Hydrogen Embrittlement Protection Coating (HEPCO) addresses the critical aspects of hydrogen permeation and embrittlement by developing novel strategies for coating and characterizing hydrogen permeation barrier layers for valves and pumps used for hydrogen storage and transport applications.
This work led so far to several high impact publications: for the first time nanobeam diffraction (NBD) orientation mapping was used on atom probe tips, thereby enabling the high throughput characterization of grain boundary segregation as well as the crystallographic identification of phases.
This project will aim at addressing the specific knowledge gap of experimental data on the mechanical behavior of microscale samples at ultra-short-time scales by the development of testing platforms capable of conducting quantitative micromechanical testing under extreme strain rates upto 10000/s and beyond.