Van Putten, K.; Roters, F.; Kirch, D.; Hirt, G.: Experimental and numerical investigations of the plane strain compression of an oligocrystalline pure copper specimen. Journal of Materials Processing Technology 211, pp. 1305 - 1323 (2011)
Zambaldi, C.; Roters, F.; Raabe, D.: Analysis of the plastic anisotropy and pre-yielding of (gamma/alpha2)-phase titanium aluminide microstructures by crystal plasticity simulation. Intermetallics 19 (6), pp. 820 - 827 (2011)
Demir, E.; Raabe, D.; Roters, F.: The mechanical size effect as a mean-field breakdown phenomenon: Example of microscale single crystal beam bending. Acta Materialia 58, pp. 1876 - 1886 (2010)
Demir, E.; Roters, F.; Raabe, D.: Bending of single crystal microcantilever beams of cube orientation: Finite element model and experiments. Journal of the Mechanics and Physics of Solids 58, pp. 1599 - 1612 (2010)
Liu, B.; Raabe, D.; Roters, F.; Eisenlohr, P.; Lebensohn, R. A.: Comparison of finite element and fast Fourier transform crystal plasticity solvers for texture prediction. Modelling and Simulation in Materials Science and Engineering 18 (8), 085005, pp. 085005-1 - 085005-21 (2010)
Peranio, N.; Li, Y. J.; Roters, F.; Raabe, D.: Microstructure and texture evolution in dual-phase steels: Competition between recovery, recrystallization, and phase transformation. Materials Science and Engineering A 527 (16-17), pp. 4161 - 4168 (2010)
Tjahjanto, D. D.; Eisenlohr, P.; Roters, F.: A novel grain cluster-based homogenization scheme. Modelling and Simulation in Materials Science and Engineering 18 (1), 015006, pp. 015006-1 - 015006-21 (2010)
Kraska, M.; Doig, M.; Tikhomirov, D.; Raabe, D.; Roters, F.: Virtual material testing for stamping simulations based on polycrystal plasticity. Computational Materials Science 46 (2), pp. 383 - 392 (2009)
Bieler, T. R.; Eisenlohr, P.; Roters, F.; Kumar, D.; Mason, D. E.; Crimp, M. A.; Raabe, D.: The role of heterogeneous deformation on damage nucleation at grain boundaries in single phase metals. International Journal of Plasticity 25 (9), pp. 1655 - 1683 (2009)
Eisenlohr, P.; Tjahjanto, D. D.; Hochrainer, T.; Roters, F.; Raabe, D.: Comparison of texture evolution in fcc metals predicted by various grain cluster homogenization schemes. International Journal of Materials Research 100 (4), pp. 500 - 509 (2009)
Ma, D.; Friák, M.; Neugebauer, J.; Raabe, D.; Roters, F.: Multiscale simulation of polycrystal mechanics of textured β-Ti alloys using ab initio and crystal-based finite element methods. Physica Status Solidi B 245 (12), pp. 2642 - 2648 (2008)
Kumar, D.; Bieler, T. R.; Eisenlohr, P.; Mason, D. E.; Crimp, M. A.; Roters, F.; Raabe, D.: On Predicting Nucleation of Microcracks Due to Slip-Twin Interactions at Grain Boundaries in Duplex gamma-TiAl. Journal of Engineering and Materials Technology 130 (02), pp. 021012-1 - 021012-12 (2008)
Tikhovskiy, I.; Raabe, D.; Roters, F.: Simulation of earing of a 17% Cr stainless steel considering texture gradients. Materials Science and Engineering A 488, pp. 482 - 490 (2008)
Weber, F.; Schestakow, I.; Roters, F.; Raabe, D.: Texture Evolution During Bending of a Single Crystal Copper Nanowire Studied by EBSD and Crystal Plasticity Finite Element Simulations. Advanced Engineering Materials 10 (8), pp. 737 - 741 (2008)
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
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…
Statistical significance in materials science is a challenge that has been trying to overcome by miniaturization. However, this process is still limited to 4-5 tests per parameter variance, i.e. Size, orientation, grain size, composition, etc. as the process of fabricating pillars and testing has to be done one by one. With this project, we aim to…
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…
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…