Pei, Z.; Yin, J.; Liaw, P. K.; Raabe, D.: Toward the design of ultrahigh-entropy alloys via mining six million texts. Nature Communications 14, 54 (2023)
Souza Filho, I. R.; Ma, Y.; Raabe, D.; Springer, H.: Fundamentals of Green Steel Production: On the Role of Gas Pressure During Hydrogen Reduction of Iron Ores. JOM-Journal of the Minerals Metals & Materials Society 75, pp. 2274 - 2286 (2023)
Moravcik, I.; Zelený, M.; Dlouhý, A.; Hadraba, H.; Moravcikova-Gouvea, L.; Papež, P.; Fikar, O.; Dlouhy, I.; Raabe, D.; Li, Z.: Impact of interstitial elements on the stacking fault energy of an equiatomic CoCrNi medium entropy alloy: theory and experiments. Science and Technology of Advanced Materials 23 (1), pp. 376 - 392 (2022)
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.
The wide tunability of the fundamental electronic bandgap by size control is a key attribute of semiconductor nanocrystals, enabling applications spanning from biomedical imaging to optoelectronic devices. At finite temperature, exciton-phonon interactions are shown to exhibit a strong impact on this fundamental property.