17 citations · 35 across the 5 of their papers we have counts for
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Temperature dependence of the Gibbs energies of formation of point defects in B2 MoTa from ab initio calculations
Xiang Xu, Fritz Körmann, Sergiy Divinski +2
Using B2 MoTa, the strongest B2 former among group V/VI refractory binaries, as a model system, we compute temperature-dependent Gibbs energies of formation of vacancies and antisi…
Microstructural origin of the simultaneous enhancements in strength and ductility of a nitrogen-doped high-entropy alloy
Xiaoxiang Wu, Zhujun Sun, Wenqi Guo +9
As one of the most abundant interstitial elements, nitrogen (N) is effective in improving yield strength of metallic materials, due to interstitial solid solution strengthening. Do…
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…
Modelling Surface Segregation in Compositionally Complex Alloys with Ab-Initio Accuracy
Alberto Ferrari, Vadim Sotskov, Alexander V. Shapeev +1
Compositionally complex alloys or concentrated solid solutions are the latest frontier in catalyst design, but mixing different elements in one catalyst may result in surface segre…