Kim, C.-E.; Yoo, S.-H.; Bahr, D. F.; Stampfl, C.; Soon, A.: Uncovering the Thermo-Kinetic Origins of Phase Ordering in Mixed-Valence Antimony Tetroxide by First-Principles Modeling. Inorganic Chemistry 56 (11), pp. 6545 - 6550 (2017)
Nickel-based alloys are a particularly interesting class of materials due to their specific properties such as high-temperature strength, low-temperature ductility and toughness, oxidation resistance, hot-corrosion resistance, and weldability, becoming potential candidates for high-performance components that require corrosion resistance and good…
Here the focus lies on investigating the temperature dependent deformation of material interfaces down to the individual microstructural length-scales, such as grain/phase boundaries or hetero-interfaces, to understand brittle-ductile transitions in deformation and the role of chemistry or crystallography on it.