13 citations · 28 across the 4 of their papers we have counts for
5 papers
Machine learning-enabled high-entropy alloy discovery
Ziyuan Rao, PoYen Tung, Ruiwen Xie +14
High-entropy alloys are solid solutions of multiple principal elements, capable of reaching composition and feature regimes inaccessible for dilute materials. Discovering those wit…
Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells
Eduardo Mendive-Tapia, Jörg Neugebauer, Tilmann Hickel
We present a first-principles approach for the computation of the magnetic Gibbs free energy of materials using magnetically constrained supercell calculations. Our approach is bas…
Understanding alkali contamination in colloidal nanomaterials to unlock grain boundary impurity engineering
Se-Ho Kim, Su-Hyun Yoo, Poulami Chakraborty +10
Metal nano-aerogels combine a large surface area, a high structural stability, and a high catalytic activity towards a variety of chemical reactions. The performance of such nanost…
Ab initio investigations of point and complex defect structures in B2-FeAl
Halil İbrahim Sözen, Tilmann Hickel, Jörg Neugebauer
In this work we have studied the defect structure and corresponding defect concentration investigations through the theoretical, experimental and computational works on B2-type Fe-…
Imaging individual solute atoms at crystalline imperfections in metals
Shyam Katnagallu, Leigh T. Stephenson, Isabelle Mouton +11
Directly imaging all atoms constituting a material and, maybe more importantly, crystalline defects that dictate materials' properties, remains a formidable challenge. Here, we pro…