Hamidi Siboni, N.: Molecular Dynamics Studies of Thermodynamical Consistency and Non-locality of Effective Temperature. Dissertation, Aachen Institute for Advanced Study in Computational Engineering Science (AICES), RWTH Aachen University, Aachen, Germany (2014)
Schemmann, L.: The inheritance of different microstructures found after hot rolling on the properties of a completely annealed dual phase steel. Dissertation, Fakultät für Georessourcen und Materialtechnik, RWTH Aachen, Aachen, Germany (2014)
Jäpel, T.: Feasibility study on local elastic strain measurements with an EBSD pattern cross correlation method in elastic-plastically deforming material. Dissertation, RWTH Aachen, Aachen, Germany (2014)
Pradeep, K. G.: Atomic scale investigation of clustering and nanocrystallization in FeSiNbB(Cu) soft magnetic amorphous alloys. Dissertation, RWTH-Aachen, Aachen, Germany (2014)
Wu, X.: Structure-property-relations of cuticular photonic crystals evolved by different beetle groups (Insecta, Coleoptera). Dissertation, RWTH-Aachen, Aachen, Germany (2014)
Kords, C.: On the role of dislocation transport in the constitutive description of crystal plasticity. Dissertation, RWTH Aachen, Aachen, Germany (2013)
Asgari, M.: Pulsed Plasma Nitriding - Effect on Hydrogen Embrittlement and Hydrogen Adsorption and Diffusion. Dissertation, Norwegian University of Science and Technology NTNU, Trondheim, Norway (2013)
Ayodele, S. G.: Lattice Boltzmann modeling of advection-diffusion-reaction equations in non-equilibrium transport processes. Dissertation, RWTH Aachen, Aachen, Germany (2013)
Steinmetz, D.: A constitutive model of twin nucleation and deformation twinning in High-Manganese Austenitic TWIP steels. Dissertation, RWTH Aachen, Aachen, Germany (2013)
Takahashi, T.: On the growth and mechanical properties of non-oxide perovskites and the spontaneous growth of soft metal nanowhiskers. Dissertation, RWTH Aachen, Aachen, Germany (2013)
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 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…
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.
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.
In order to estimate the kinetics of thermally activated processes, one must determine the energy of the transition state. This transition state is a first-order saddle point on the potential energy surface, i.e., it is a maximum along the reaction coordinate, but a minimum with respect to all other directions in configurational space. We have…
Water electrolysis has the potential to become the major technology for the production of the high amount of green hydrogen that is necessary for its widespread application in a decarbonized economy. The bottleneck of this electrochemical reaction is the anodic partial reaction, the oxygen evolution reaction (OER), which is sluggish and hence…