Siboni, N. H.; Raabe, D.; Varnik, F.: Maintaining the equipartition theorem in small heterogeneous molecular dynamics ensembles. Physical Review E 87 (3), pp. 030101-1 - 030101-4 (2013)
Nematollahi, A.; von Pezold, J.; Neugebauer, J.; Raabe, D.: Thermodynamics of carbon solubility in ferrite and vacancy formation in cementite in strained pearlite. Acta Materialia 61 (5), pp. 1773 - 1784 (2013)
Seol, J.-B.; Raabe, D.; Choi, P.; Park, H. S.; Kwak, J. H.; Park, C. G.: Direct evidence for the formation of ordered carbides in a ferrite based low-density Fe–Mn–Al–C alloy studied by transmission electron microscopy and atom probe tomography. Scripta Materialia 68 (6), pp. 348 - 353 (2013)
Titrian, H.; Aydin, U.; Friák, M.; Ma, D.; Raabe, D.; Neugebauer, J.: Self-consistent scale-bridging approach to compute the elasticity of multi-phase polycrystalline materials. Materials Research Society Symposia Proceedings 1524, pp. 17 - 23 (2013)
Gutiérrez-Urrutia, I.; Raabe, D.: Influence of Al content and precipitation state on the mechanical behavior of austenitic high-Mn low-density steels. Scripta Materialia 68 (6), pp. 343 - 347 (2013)
Pinto de Siqueira, R.; Sandim, H. R. Z.; Raabe, D.: Particle Stimulated Nucleation in Coarse-Grained Ferritic Stainless Steel. Metallurgical and Materials Transactions A 44 (1), pp. 469 - 478 (2013)
Woldemedhin, M. T.; Raabe, D.; Hassel, A. W.: Characterization of thin anodic oxides of Ti–Nb alloys by electrochemical impedance spectroscopy. Electrochimica Acta 82, pp. 324 - 332 (2012)
Cojocaru-Mirédin, O.; Choi, P.; Wuerz, R.; Raabe, D.: Exploring the p-n junction region in Cu(In,Ga)Se2 thin-film solar cells at the nanometer-scale. Applied Physics Letters 101 (18), pp. 181603-1 - 181603-5 (2012)
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
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…
The project’s goal is to synergize experimental phase transformations dynamics, observed via scanning transmission electron microscopy, with phase-field models that will enable us to learn the continuum description of complex material systems directly from experiment.