34 citations · 65 across the 5 of their papers we have counts for
5 papers
Density Functional Theory of Material Design: Fundamentals and Applications -- I
Prashant Singh, Manoj K Harbola
This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease o…
A ductility metric for refractory-based multi-principal-element alloys
Prashant Singh, Brent Vela, Gaoyuan Ouyang +4
We propose a quantum-mechanical dimensionless metric, the locallattice distortion (LLD), as a reliable predictor of ductility in refractory multi-principal-element alloys (RMPEA…
Accurate prediction of chemical short-range order and its effect on thermodynamic, structural, and electronic properties of disordered alloys: exemplified in CuAu
Will Morris, Duane D. Johnson, Prashant Singh
Electronic-structure methods based on density-functional theory (DFT) were used to directly quantify the effect of chemical short-range order (SRO) on thermodynamic, structural, an…
Designing order-disorder transformation in high-entropy ferritic steels
Singh, Prashant, Johnson +1
Order-disorder transformations hold an essential place in chemically complex high-entropy ferritic-steels (HEFSs) due to their critical technological application. The chemical inho…
On the martensitic transformation in FeMnCoCr high-entropy alloy
Prashant Singh, Sezer Picak, Aayush Sharma +4
High-entropy alloys (HEAs), and even medium-entropy alloys (MEAs), are an intriguing class of materials in that structure and property relations can be controlled via alloying and…