Freysoldt, C.: Accurate thermodynamic properties from ab initio simulations. International Conference on Theoretical and High Performance Computational Chemistry 2015, Qingdao, China (2015)
Freysoldt, C.: Die S/PHI/nX-Klassenbibliothek - HPC-Programmierung für Physiker. Workshop "High-performance computing und datengetriebene Anwendungen in der MPG
, Ringberg, Germany (2014)
Freysoldt, C.; Neugebauer, J.: Point defects in supercells: Correction schemes for the dilute limit. Workshop on Ab-initio description of charged systems and solid/liquid
interfaces
, Santa Barbara, CA, USA (2014)
Freysoldt, C.; Pfanner, G.; Neugebauer, J.: Role of the defect creation strategy for modelling dangling bonds in a-Si:H. MRS Spring Meeting, San Francisco, CA, USA (2014)
Freysoldt, C.; Pfanner, G.; Neugebauer, J.: Defects in amorphous silicon from H insertion. Workshop "Spins as Functional Probes in Solar Energy Research", Berlin, Germany (2013)
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)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: The dangling-bond defect in amorphous silicon: Insights from ab initio calculations of EPR parameters. DPG Frühjahrstagung 2012, Berlin, Germany (2012)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: The dangling-bond defect in amorphous silicon: Insights from ab initio calculations of EPR parameters. 1st Austrian-German workshop on computational materials design, Kramsach, Austria (2012)
Freysoldt, C.: Charge corrections in supercells. Workshop on "Modern developments in the ab initio description of charged systems for semiconductors and electrochemistry, Ringberg, Germany (2012)
Lange, B.; Freysoldt, C.; Neugebauer, J.: Point-defect energetics from LDA, PBE, and HSE: Different functionals, different energetics? 1.st Austrian/German Workshop on Computational Materials Design, Kramsach, Tyrol, Austria (2012)
Freysoldt, C.; Pfanner, G.; Neugebauer, J.: The dangling-bond defect in amorphous silicon: Insights from theoretical calculations of the EPR parameters. Workshop on Advanced EPR for material and solar energy research, Berlin, Germany (2011)
Freysoldt, C.; Pfanner, G.; Neugebauer, J.: The Dangling-Bond Defect in Amorphous Silicon: Statistical Random Versus Kinetically Driven Defect Geometries. 24th International Conference on Amorphous and Nanocrystalline Semiconductors (ICANS 24), Nara, Japan (2011)
Fehr, M.; Schnegg, A.; Teutloff, C.; Bittl, R.; Astakhov, O.; Finger, F.; Pfanner, G.; Freysoldt, C.; Neugebauer, J.; Rech, B.et al.; Lips, K.: A Detailed Investigation of Native and Light-induced Defects in Hydrogenated Amorphous Silicon by Electron-spin Resonance. MRS Spring Meeting and Exhibit 2011, San Francisco, CA, USA (2011)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: EPR parameters of the dangling bond defect in crystalline and amorphous silion: A DFT-study. APS march meeting 2011, Dallas, TX, USA (2011)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
The key to the design and construction of advanced materials with tailored mechanical properties is nano- and micro-scale plasticity. Significant influence also exists in shaping the mechanical behavior of materials on small length scales.
This project aims to correlate the localised electrical properties of ceramic materials and the defects present within their microstructure. A systematic approach has been developed to create crack-free deformation in oxides through nanoindentation, while the localised defects are probed in-situ SEM to study the electronic properties. A coupling…
This project endeavours to offer comprehensive insights into GB phases and their mechanical responses within both pure Ni and Ni-X (X=Cu, Au, Nb) solid solutions. The outcomes of this research will contribute to the development of mechanism-property diagrams, guiding material design and optimization strategies for various applications.
By using the DAMASK simulation package we developed a new approach to predict the evolution of anisotropic yield functions by coupling large scale forming simulations directly with crystal plasticity-spectral based virtual experiments, realizing a multi-scale model for metal forming.