Fujita, N.; Igi, S.; Diehl, M.; Roters, F.; Raabe, D.: The through-process texture analysis of plate rolling by coupling finite element and fast Fourier transform crystal plasticity analysis. Modelling and Simulation in Materials Science and Engineering 27, 085005 (2019)
Diehl, M.; Kertsch, L.; Traka, K.; Helm, D.; Raabe, D.: Site-specific quasi in situ investigation of primary static recrystallization in a low carbon steel. Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing 755, pp. 295 - 306 (2019)
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)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
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
The utilization of Kelvin Probe (KP) techniques for spatially resolved high sensitivity measurement of hydrogen has been a major break-through for our work on hydrogen in materials. A relatively straight forward approach was hydrogen mapping for supporting research on hydrogen embrittlement that was successfully applied on different materials, and…
It is very challenging to simulate electron-transfer reactions under potential control within high-level electronic structure theory, e. g. to study electrochemical and electrocatalytic reaction mechanisms. We develop a novel method to sample the canonical NVTΦ or NpTΦ ensemble at constant electrode potential in ab initio molecular dynamics…
Photovoltaic materials have seen rapid development in the past decades, propelling the global transition towards a sustainable and CO2-free economy. Storing the day-time energy for night-time usage has become a major challenge to integrate sizeable solar farms into the electrical grid. Developing technologies to convert solar energy directly into…
Crystal Plasticity (CP) modeling [1] is a powerful and well established computational materials science tool to investigate mechanical structure–property relations in crystalline materials. It has been successfully applied to study diverse micromechanical phenomena ranging from strain hardening in single crystals to texture evolution in…
Electron microscopes offer unique capabilities to probe materials with extremely high spatial resolution. Recent advancements in in situ platforms and electron detectors have opened novel pathways to explore local properties and the dynamic behaviour of materials.