Roters, F.; Diehl, M.; Eisenlohr, P.; Shanthraj, P.: DAMASK: the Düsseldorf Advanced MAterial Simulation Kit for studying multi-field crystal plasticity phenomena. Seminar, Engineering Science Department at the University of Oxford, virtual, Oxford, UK (2021)
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)
Raabe, D.; Diehl, M.; Shanthraj, P.; Sedighiani, K.; Roters, F.: Multi-scale and multi-physics simulations of chemo-mechanical crystal plasticity problems for complex engineering materials using DAMASK. Online Colloquium Lecture, Department of Materials Science and Engineering, KTH Royal Institute of Technology, Stockholm, Sweden (2020)
Roters, F.; Diehl, M.; Sedighiani, K.: (Re-) formulation of dislocation density based crystal plasticity models in view of insights from parameter determination. Oberwolfach Workshop: Mechanics of Materials: Towards Predictive Methods for Kinetics in Plasticity, Fracture, and Damage, Oberwolfach, Germany (2020)
Sedighiani, K.; Traka, K.; Diehl, M.; Roters, F.; Bos, K.; Sietsma, J.; Raabe, D.: A Coupled Crystal Plasticity – Cellular Automaton Method for 3D Modeling of Recrystallization: Part I: Crystal Plasticity. International Conference on Plasticity, Damage, and Fracture, Riviera May, Mexico (2020)
Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.; Perlado, J. M.; Marian, J.: Understanding the Plastic Behavior of Tungsten From First Principles to Crystal Plasticity. International Mechanical Engineering Congress & Exposition (IMECE) 2019, Salt Lake City, UT, USA (2019)
Sedighiani, K.; Traka, K.; Diehl, M.; Roters, F.; Sietsma, J.; Raabe, D.: Determination and validation of BCC crystal plasticity parameters for a wide range of temperatures and strain rates. 7th Conference on Recrystallization and Grain Growth, REX 2019, Ghent, Belgium (2019)
Shah, V.; Diehl, M.; Roters, F.: Prediction of Nucleation Sites for Recrystallization using Crystal Plasticity Simulations. 7th International Conference on Recrystallization and Grain Growth, Ghent, Belgium (2019)
Diehl, M.; Roters, F.; Raabe, D.: Coupled Experimental-Computational Investigations of Grain Scale Mechanics in Complex Metallic Microstructures. 15th U.S. National Congress on Computational Mechanics, Ausrin, TX, USA (2019)
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
Here, we aim to develop machine-learning enhanced atom probe tomography approaches to reveal chemical short/long-range order (S/LRO) in a series of metallic materials.
While Density Functional Theory (DFT) is in principle exact, the exchange functional remains unknown, which limits the accuracy of DFT simulation. Still, in addition to the accuracy of the exchange functional, the quality of material properties calculated with DFT is also restricted by the choice of finite bases sets.
The Atom Probe Tomography group in the Microstructure Physics and Alloy Design department is developing integrated protocols for ultra-high vacuum cryogenic specimen transfer between platforms without exposure to atmospheric contamination.
The structures of grain boundaries (GBs) have been investigated in great detail. However, much less is known about their chemical features, owing to the experimental difficulties to probe these features at the near-atomic scale inside bulk material specimens. Atom probe tomography (APT) is a tool capable of accomplishing this task, with an ability…
Hydrogen embrittlement is one of the most substantial issues as we strive for a greener future by transitioning to a hydrogen-based economy. The mechanisms behind material degradation caused by hydrogen embrittlement are poorly understood owing to the elusive nature of hydrogen. Therefore, in the project "In situ Hydrogen Platform for…
Complex simulation protocols combine distinctly different computer codes and have to run on heterogeneous computer architectures. To enable these complex simulation protocols, the CM department has developed pyiron.