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)
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
Atom probe tomography (APT) provides three dimensional(3D) chemical mapping of materials at sub nanometer spatial resolution. In this project, we develop machine-learning tools to facilitate the microstructure analysis of APT data sets in a well-controlled way.
Atom probe tomography (APT) is one of the MPIE’s key experiments for understanding the interplay of chemical composition in very complex microstructures down to the level of individual atoms. In APT, a needle-shaped specimen (tip diameter ≈100nm) is prepared from the material of interest and subjected to a high voltage. Additional voltage or laser…
Ever since the discovery of electricity, chemical reactions occurring at the interface between a solid electrode and an aqueous solution have aroused great scientific interest, not least by the opportunity to influence and control the reactions by applying a voltage across the interface. Our current textbook knowledge is mostly based on mesoscopic…
Recent developments in experimental techniques and computer simulations provided the basis to achieve many of the breakthroughs in understanding materials down to the atomic scale. While extremely powerful, these techniques produce more and more complex data, forcing all departments to develop advanced data management and analysis tools as well as…
Integrated Computational Materials Engineering (ICME) is one of the emerging hot topics in Computational Materials Simulation during the last years. It aims at the integration of simulation tools at different length scales and along the processing chain to predict and optimize final component properties.
Data-rich experiments such as scanning transmission electron microscopy (STEM) provide large amounts of multi-dimensional raw data that encodes, via correlations or hierarchical patterns, much of the underlying materials physics. With modern instrumentation, data generation tends to be faster than human analysis, and the full information content is…