Counts, W. A.; Friák, M.; Battaile, C.; Raabe, D.; Neugebauer, J.: Multiscale Prediction of Polycrystal Elastic Properties of Ultralight Weight Mg-Li Alloys using Ab Initio and FEM Approaches. MRS Fall Conference 2008, Boston, MA, USA (2008)
Demir, E.; Raabe, D.; Zaefferer, S.: Quantification of Geometrically Necessary Dislocations Beneath Small Indents of Different Depths Using EBSD Tomography. MRS Fall Conference 2008, Boston, MA, USA (2008)
Knezevic, M.; Ma, D.; Raabe, D.; Kalidindi, S. R.; Friák, M.; Neugebauer, J.: Application of Spectral Methods for Anisotropy Design of Ti-Nb Polycrystals for Biomedical Applications based on ab Initio Elastic Single Crystal Constants and Fast Fourier Homogenization. MRS Fall Conference 2008, Boston, MA, USA (2008)
Petrov, M.; Friák, M.; Lymperakis, L.; Neugebauer, J.; Raabe, D.: Ground-state structure and elastic anisotropy of crystalline alpha-chitin: An ab-initio based conformational analysis. Materials Research Society meeting (MRS), Boston, MA, USA (2008)
Calcagnotto, M.; Ponge, D.; Raabe, D.: Mechanical properties of ultrafine and fine grained dual phase steels. MS&T 2008 (Materials Science and Technology), Pittsburgh, PA, USA (2008)
Ma, A.; Friák, M.; Neugebauer, J.; Raabe, D.: Ab initio based design of alloys. MS&T'08, Symposium: Discovery and Optimization of Materials Through Computational Design, David Lawrence Convention Center, Pittsburgh, PA, USA (2008)
Counts, W. A.; Ma, D.; Friák, M.; Neugebauer, J.; Raabe, D.: Multiscale design of aluminium alloys based on ab-initio methods. ICAA 11 – 11th International Conference on Aluminium Alloys 2008, Aachen, Germany (2008)
Dmitrieva, O.; Raabe, D.: Investigation of microstructures in single crystals: Orientation patterning phenomena. IUTAM Symposium on Variational Concepts with Applications to the Mechanics of Materials, Ruhr-Universität Bochum, Germany (2008)
Raabe, D.; Friak, M.; Neugebauer, J.; Counts, W. A.: Homogenization in Polycrystal Mechanics on the Basis of First Principles Simulations. IUTAM Symposium on Variational Concepts in Materials Mechanics, Ruhr-Universität Bochum, Germany (2008)
Schulz, S.; Winning, M.; Raabe, D.: A modified cellular automaton for the simulation of recrystallization in aluminum. ICAA 11 - International Conference on Aluminium Alloys 2008, Aachen, Germany (2008)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
In this project, we employ atomistic computer simulations to study grain boundaries. Primarily, molecular dynamics simulations are used to explore their energetics and mobility in Cu- and Al-based systems in close collaboration with experimental works in the GB-CORRELATE project.
This project is a joint project of the De Magnete group and the Atom Probe Tomography group, and was initiated by MPIE’s participation in the CRC TR 270 HOMMAGE. We also benefit from additional collaborations with the “Machine-learning based data extraction from APT” project and the Defect Chemistry and Spectroscopy group.
In this project, we aim to design novel NiCoCr-based medium entropy alloys (MEAs) and further enhance their mechanical properties by tuning the multiscale heterogeneous composite structures. This is being achieved by alloying of varying elements in the NiCoCr matrix and appropriate thermal-mechanical processing.