Nascimento, A.; Roongta, S.; Diehl, M.; Beyerlein, I. J.: A machine learning model to predict yield surfaces from crystal plasticity simulations. International Journal of Plasticity 161, 103507 (2023)
Otto de Mentock, D.; Roongta, S.; Shanthraj, P.; Eisenlohr, P.; Diehl, M.; Roters, F.: Challenges of Developing and Scaling up DAMASK, a Unified Large-strain Multi-physics Crystal Plasticity Simulation Software. TMS - Algorithm Development in Materials Science and Engineering, Orlando, FL, USA (2024)
Roters, F.; do Nascimento, A. W. P.; Roongta, S.; Diehl, M.: An optimized method for the simulation-based determination of initial parameters of advanced yield surfaces for sheet metal forming applications. Complas 2021, online (2021)
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
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…
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…
The field of micromechanics has seen a large progress in the past two decades, enabled by the development of instrumented nanoindentation. Consequently, diverse methodologies have been tested to extract fundamental properties of materials related to their plastic and elastic behaviour and fracture toughness. Established experimental protocols are…
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.