147 citations · 798 across the 19 of their papers we have counts for
20 papers
Ultrastrong and ductile CoNiMoAl medium-entropy alloys enabled by L12 nanoprecipitate-induced multiple deformation mechanisms
Min Young Sung, Tae Jin Jang, Sang Yoon Song +11
L12 precipitates are known to significantly enhance the strength and ductility of single-phase face-centered cubic (FCC) medium- or high-entropy alloys (M/HEAs). However, further i…
Machine Learning Potentials for Hydrogen Absorption in TiCr Laves Phases
Pranav Kumar, Fritz Körmann, Blazej Grabowski +1
The energetics of hydrogen absorption in C15 cubic and C14 hexagonal TiCrH Laves phases is investigated for with density functional theory (DFT) and machine l…
Accelerating ab initio melting property calculations with machine learning: Application to the high entropy alloy TaVCrW
Li-Fang Zhu, Fritz Koermann, Qing Chen +3
Melting properties are critical for designing novel materials, especially for discovering high-performance, high-melting refractory materials. Experimental measurements of these pr…
High-Entropy Hydrides for Fast and Reversible Hydrogen Storage at Room Temperature: Binding-Energy Engineering via First-Principles Calculations and Experiments
Abbas Mohammadi, Yuji Ikeda, Parisa Edalati +4
Despite high interest in compact and safe storage of hydrogen in the solid-state hydride form, the design of alloys that can reversibly and quickly store hydrogen at room temperatu…
High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials
Jong Hyun Jung, Prashanth Srinivasan, Axel Forslund +1
Accurate prediction of thermodynamic properties requires an extremely accurate representation of the free energy surface. Requirements are twofold -- first, the inclusion of the re…
Dissolution and Recrystallization Behavior of Li3PS4 in Different Organic Solvents
Kerstin Wissel, Luise M. Riegger, Christian Schneider +9
Solid state batteries can be built based on thiophosphate electrolytes such as beta-Li3PS4. For the preparation of these electrolytes, various solvent-based routes have been report…