Sevlikar, S. V.; Muralikrishna, G. M.; Gaertner, D.; Starikov, S.; Brink, T.; Scheiber, D.; Smirnova, D.; Irmer, D.; Tas, B.; Esin, V. A.et al.; Razumovskiy, V. I.; Liebscher, C.; Wilde, G.; Divinski, S. V.: Grain boundary diffusion and segregation of Cr in Ni Σ11(1̄13)[110] bicrystals: Decoding the role of grain boundary defects. Acta Materialia 278, 120229 (2024)
Ahmad, S.; Brink, T.; Liebscher, C.; Dehm, G.: Influence of variation in grain boundary parameters on the evolution of atomic structure and properties of [111] tilt boundaries in aluminum. Acta Materialia 268, 119732 (2024)
Pemma, S.; Janisch, R.; Dehm, G.; Brink, T.: Effect of the atomic structure of complexions on the active disconnection mode during shear-coupled grain boundary motion. Physical Review Materials 8 (6), 063602 (2024)
Garcia-Suarez, J.; Brink, T.; Molinari, J.-F.: Breakdown of Reye’s theory in nanoscale wear. Journal of the Mechanics and Physics of Solids 173, 105236 (2023)
Bhat, M. K.; Brink, T.; Ding, H.; Jung, C.; Best, J. P.; Dehm, G.: Influence of the Structure and Chemistry of Σ5 Grain Boundaries on Microscale Strengthening in Cu Bicrystals. TMS Annual Meeting and Exhibition 2024, Orlando, FL, USA (2024)
Brink, T.; Langenohl, L.; Ahmad, S.; Liebscher, C.; Dehm, G.: Atomistic Modeling of the Thermodynamics of Grain Boundaries in fcc Metals. 19th International Conference on Diffusion in Solids and Liquids, Crete, Greece (2023)
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…
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…
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…