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)
Oxides find broad applications as catalysts or in electronic components, however are generally brittle materials where dislocations are difficult to activate in the covalent rigid lattice. Here, the link between plasticity and fracture is critical for wide-scale application of functional oxide materials.
In this project we conduct together with Dr. Sandlöbes at RWTH Aachen and the department of Prof. Neugebauer ab initio calculations for designing new Mg – Li alloys. Ab initio calculations can accurately predict basic structural, mechanical, and functional properties using only the atomic composition as a basis.