@misc{chandran_studying_the_2024, author={Chandran, A., Ganesan, H., Cyron, C.J.}, title={Studying the effects of Nb on high-temperature deformation in TiAl alloys using atomistic simulations}, year={2024}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.matdes.2023.112596}, abstract = {Intermetallic γ(TiAl)-based alloys find their application as high-temperature materials for aero engine and automotive components. Microstructure optimization and microalloying play key roles in optimizing these alloys. Several pioneering experimental works showed improved mechanical properties of γ(TiAl)-based alloys containing Niobium (Nb). Despite Nb being a key alloying element, its contribution remains debated, if not least understood, due to the TiAl microstructure's complexity with hierarchical interfaces. This work examines the effects of Nb on the high-temperature deformation behavior of TiAl alloys using atomistic simulations. These revealed that Nb alloying retarded the stress-induced phase transformation of γ → , favoring a refined microstructure with the dislocation sources from microstructure boundaries and interfaces at high temperature and improving thus the ductility. Our microstructure-informed atomistic models reveal a comprehensive picture of the underlying nanomechanical events.}, note = {Online available at: \url{https://doi.org/10.1016/j.matdes.2023.112596} (DOI). Chandran, A.; Ganesan, H.; Cyron, C.: Studying the effects of Nb on high-temperature deformation in TiAl alloys using atomistic simulations. Materials & Design. 2024. vol. 237, 112569. DOI: 10.1016/j.matdes.2023.112596}}