Freysoldt, C.; Neugebauer, J.; Tan, A. M. Z.; Hennig, R. G.: Limitations of empirical supercell extrapolation for calculations of point defects in bulk, at surfaces, and in two-dimensional materials. Physical Review B 105 (1), 014103 (2022)
Kavanagh, S. R.; Scanlon, D. O.; Walsh, A.; Freysoldt, C.: Impact of metastable defect structures on carrier recombination in solar cells. Faraday Discussions 239, pp. 339 - 356 (2022)
Scandium-containing aluminium alloys are currently attracting interest as candidates for high-performance aerospace structural materials due to their outstanding combination of strength, ductility and corrosion resistance. Strengthening is achieved by precipitation of Al3Sc-particles upon ageing heat treatment.
In this project, we aim to synthetize novel ZrCu thin film metallic glasses (TFMGs) with controlled composition and nanostructure, investigating the relationship with the mechanical behavior and focusing on the nanometre scale deformation mechanisms. Moreover, we aim to study the mechanical properties of films with complex architectures such as…