85 citations · 447 across the 9 of their papers we have counts for
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Effect of substitutional doping and disorder on the phase stability, magnetism, and half-metallicity of Heusler alloys
Nikolai A Zarkevich, Prashant Singh, A. V. Smirnov +1
Spintronics is the fast growing field that will play a key role in optimizing power consumption, memory, and processing capabilities of nanoelectronic devices. Heusler alloys are p…
Half-metallic compositional ranges for selected Heusler alloys
Nikolai A. Zarkevich, Prashant Singh, A. V. Smirnov +1
For a material that is a half-metal, there should exist a range of compositions for half-metallicity. This compositional range can be expressed in terms of electron count and compu…
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,…
Tuning phase-stability and short-range order through Al-doping in (CoCrFeMn)100-xAlx high entropy alloys
Prashant Singh, Amalraj Marshal, Andrei V. Smirnov +4
For (CoCrFeMn)Al high-entropy alloys, we investigate the phase evolution with increasing Al-content (0 x 20 at.%). From first-principles theory, the Al-…
Ta-Nb-Mo-W refractory high-entropy alloys: anomalous ordering behavior and its intriguing electronic origin
Prashant Singh, A. V. Smirnov, Duane D. Johnson
From electronic-structure-based thermodynamic linear-response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed -- applying i…
Design of high-strength refractory complex solid-solution alloys
Prashant Singh, Aayush Sharma, Andrei V. Smirnov +4
Nickel-based superalloys and near-equiatomic high-entropy alloys containing Molybdenum are known for higher temperature strength and corrosion resistance. Yet, complex solid-soluti…
Importance of Thermal Disorder on the Properties of Alloys: Origin of Paramagnetism and Structural Anomalies in Iron-Aluminum
A. V. Smirnov, W. A. Shelton, D. D. Johnson
The bcc-based Fe_{1-x}Al_{x} exhibit interesting magnetic and anomalous structural properties as a function of composition and sample processing conditions arising from thermal or…