Roters, F.; Diehl, M.; Shanthraj, P.: On the importance of using 3D microstructures in Crystal Plasticity Simulations. Symposium: 3D materials characterization at all length scales and its applications to iron and steel, Düsseldorf, Germany (2017)
Liu, C.; Diehl, M.; Shanthraj, P.; Roters, F.; Raabe, D.; Sandlöbes, S.; Dong, J.: An integrated crystal plasticity-phase field approach to locally predict twin formation in magnesium. DGM Meeting, "Herausforderungen bei der skalenübergreifenden Modellierung von Werkstoffen ", Regensburg, Germany (2017)
Roters, F.; Wong, S. L.; Shanthraj, P.; Diehl, M.; Raabe, D.: Thermo mechanically coupled simulation of high manganese TRIP/TWIP Steel. 5th International Conference on Material Modeling, ICMM 5, Rome, Italy (2017)
Diehl, M.: Deformation in polycrystals: Theory, implementation, and application of crystal plasticity. Seminar des Instituts für technische Mechanik, TU Clausthal, Clausthal, Germany (2017)
Diehl, M.; Cereceda, D.; Wong, S. L.; Reuber, J. C.; Roters, F.; Raabe, D.: From Phenomenological Descriptions to Physics-based Constitutive Models EPSRC Workshop on Multiscale Mechanics of Deformation and Failure in Materials. EPSRC Workshop on Multiscale Mechanics of Deformation and Failure in Materials
, Aberdeen, Scotland (2016)
Marian, J.; Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.: Unraveling the temperature dependence of the yield strength of tungsten single crystals using atomistically-informed crystal plasticity. 8th International Conference on Multiscale Materials Modeling, MMM2016, Dijon, France (2016)
Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.; Marian, J.: Unraveling the temperature dependence of the yield strength in BCC metals from atomistically-informed crystal plasticity calculation. Dislocations 2016, Purdue University, West Lafayette, IN, USA (2016)
Diehl, M.; Eisenlohr, P.; Shanthraj, P.; Roters, F.: Using the Spectral Solver. 5th International Symposium on Computational Mechanics of Polycrystals, CMCn 2016 and first DAMASK User Meeting, Düsseldorf, Germany (2016)
Diehl, M.; Naunheim, Y.; Morsdorf, L.; An, D.; Roters, F.; Raabe, D.: Crystal Plasticity Simulations on Real Data: Towards Highly Resolved 3D Microstructures. 26th International Workshop on Computational Mechanics of Materials - IWCMM 26, Tomsk, Russia (2016)
Low dimensional electronic systems, featuring charge density waves and collective excitations, are highly interesting from a fundamental point of view. These systems support novel types of interfaces, such as phase boundaries between metals and charge density waves.
Oxides find broad applications as catalysts or in electronic components, however are generally brittle materials where dislocations are difficult to activate in the covalent rigid lattice. Here, the link between plasticity and fracture is critical for wide-scale application of functional oxide materials.
In this project, we employ a metastability-engineering strategy to design bulk high-entropy alloys (HEAs) with multiple compositionally equivalent high-entropy phases.
The wide tunability of the fundamental electronic bandgap by size control is a key attribute of semiconductor nanocrystals, enabling applications spanning from biomedical imaging to optoelectronic devices. At finite temperature, exciton-phonon interactions are shown to exhibit a strong impact on this fundamental property.
Enabling a ‘hydrogen economy’ requires developing fuel cells satisfying economic constraints, reasonable operating costs and long-term stability. The fuel cell is an electrochemical device that converts chemical energy into electricity by recombining water from H2 and O2, allowing to generate environmentally-friendly power for e.g. cars or houses…
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.
In this project we conduct together with Dr. Sandlöbes at RWTH Aachen and the department of Prof. Neugebauer ab initio calculations for designing new Mg – Li alloys. Ab initio calculations can accurately predict basic structural, mechanical, and functional properties using only the atomic composition as a basis.
Efficient harvesting of sunlight and (photo-)electrochemical conversion into solar fuels is an emerging energy technology with enormous promise. Such emerging technologies depend critically on materials systems, in which the integration of dissimilar components and the internal interfaces that arise between them determine the functionality.