Wang, D.; Diehl, M.; Roters, F.; Raabe, D.: On the role of the collinear dislocation interaction in deformation patterning and laminate formation in single crystal plasticity. Mechanics of Materials 125, pp. 70 - 79 (2018)
Diehl, M.: Review and outlook: mechanical, thermodynamic, and kinetic continuum modeling of metallic materials at the grain scale. MRS Communications 7 (4), pp. 735 - 746 (2017)
Diehl, M.; Groeber, M.; Haase, C.; Roters, F.; Raabe, D.: Identifying Structure–Property Relationships Through DREAM.3D Representative Volume Elements and DAMASK Crystal Plasticity Simulations: An Integrated Computational Materials Engineering Approach. JOM-Journal of the Minerals Metals & Materials Society 69 (5), pp. 848 - 855 (2017)
Diehl, M.; Wicke, M.; Shanthraj, P.; Roters, F.; Brueckner-Foit, A.; Raabe, D.: Coupled Crystal Plasticity–Phase Field Fracture Simulation Study on Damage Evolution Around a Void: Pore Shape Versus Crystallographic Orientation. JOM-Journal of the Minerals Metals & Materials Society 69 (5), pp. 872 - 878 (2017)
Zhang, H.; Diehl, M.; Roters, F.: A virtual laboratory using high resolution crystal plasticity simulations to determine the initial yield surface for sheet metal forming operations. International Journal of Plasticity 80, pp. 111 - 138 (2016)
Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.; Perlado, J. M.; Marian, J.: Unraveling the temperature dependence of the yield strength in single-crystal tungsten using atomistically-informed crystal plasticity calcula- tions. International Journal of Plasticity 78, pp. 242 - 265 (2016)
Diehl, M.; Shanthraj, P.; Eisenlohr, P.; Roters, F.: Neighborhood influences on stress and strain partitioning in dual-phase microstructures. An investigation on synthetic polycrystals with a robust spectral-based numerical method. Meccanica 51 (2), pp. 429 - 441 (2016)
Shanthraj, P.; Eisenlohr, P.; Diehl, M.; Roters, F.: Numerically robust spectral methods for crystal plasticity simulations of heterogeneous materials. International Journal of Plasticity 66, pp. 31 - 45 (2015)
In this project, we employ a metastability-engineering strategy to design bulk high-entropy alloys (HEAs) with multiple compositionally equivalent high-entropy phases.
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 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.
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…
In this project we study - together with the department of Prof. Neugebauer and Dr. Sandlöbes at RWTH Aachen - the underlying mechanisms that are responsible for the improved room-temperature ductility in Mg–Y alloys compared to pure Mg.