155 citations · 1.1k across the 27 of their papers we have counts for
4 papers · 1 filter
Vacancy-mediated complex phase selection in high entropy alloys
Prashant Singh, Srinivasa Thimmaiah, Bryce Thoeny +4
Phase selection in Ti-Zr-Hf-Al high-entropy alloys was investigated by in-situ high-energy Xray diffraction, single-crystal Xray diffraction, and density-functional theory ba…
First-principles concentration-wave approach to predict incipient order in high-entropy alloys: case of TiCrFeNiAl
Prashant Singh, A. V. Smirnov, Aftab Alam +1
Multi-principal-element alloys, including high-entropy alloys, experience segregation or partially-ordering as they are cooled to lower temperatures. For TiCrFeNiAl,…
Exploring the role of electronic structure on photo-catalytic behavior of carbon-nitride polymorphs
Sujoy Datta, Prashant Singh, Debnarayan Jana +4
A fully self-consistent density-functional theory (DFT) with improved functionals is used to provide a comprehensive account of structural, electronic, and optical properties of C$…
The Effect of Chemical Disorder on Defect Formation and Migration in Disordered MAX Phases
Prashant Singh, Daniel Sauceda, Raymundo Arroyave
MAX phases have attracted increased attention due to their unique combination of ceramic and metallic properties. Point-defects are known to play a vital role in the structural, el…