Tuning phase-stability and short-range order through Al-doping in (CoCrFeMn)100-xAlx high entropy alloys

For (CoCrFeMn)$_{100-x}$Al$_{x}$ high-entropy alloys, we investigate the phase evolution with increasing Al-content (0 $\le$ x $\le$ 20 at.%). From first-principles theory, the Al-doping drives the alloy structurally from FCC to BCC separated by a narrow two-phase region (FCC+BCC), which is well supported by our experiments. We highlight the effect of Al-doping on the formation enthalpy and electronic structure of (CoCrFeMn)$_{100-x}$Al$_{x}$ alloys. As chemical short-range order (SRO) in multicomponent alloys indicates the nascent local order (and entropy changes), as well as expected low-temperature ordering behavior, we use thermodynamic linear-response within density-functional theory to predict SRO and ordering transformation and temperatures inherent in (CoCrFeMn)$_{100-x}$Al$_{x}$. The predictions agree with our present experimental findings, and other reported ones.Comment: 27 pages, 9 figures, 1 tabl

Six-month outcomes from Living Well with Diabetes: a randomized trial of a telephone-delivered weight loss and physical activity intervention to improve glycemic control

Intensive lifestyle intervention trials in type 2 diabetes contribute evidence on what can be achieved under optimal conditions, but are less informative for translation in applied settings

Tuning phase-stability and short-range order through AI-doping in (CoCrFeMn)100-xAIx high entropy alloys

For (CoCrFeMn)100−xAlx high-entropy alloys, we investigate the phase evolution with increasing Al content (0≤x≤20 at.%). From first-principles theory, aluminum doping drives the alloy structurally from fcc to bcc separated by a narrow two-phase region (fcc+bcc), which is well supported by our experiments. Using KKR-CPA electronic-structure calculations, we highlight the effect of Al doping on the formation enthalpy (alloy stability) and electronic dispersion of (CoCrFeMn)100−xAlx alloys. As chemical short-range order indicates the nascent local order, and entropy changes, as well as expected low-temperature ordering behavior, we use KKR-CPA-based thermodynamic linear response to predict the chemical ordering behavior of arbitrary complex solid-solution alloys—an ideal approach for predictive design of high-entropy alloys. The predictions agree with our present experimental findings and other reported ones

Review of recent experimental progresses in Foundations of Quantum Mechanics and Quantum Information obtained in Parametric Down Conversion Experiments at IENGF

We review some recent experimental progresses concerning Foundations of Quantum Mechanics and Quantum Information obtained in Quantum Optics Laboratory "Carlo Novero" at IENGF. More in details, after a short presentation of our polarization entangled photons source (based on precise superposition of two Type I PDC emission) and of the results obtained with it, we describe an innovative double slit experiment where two degenerate photons produced by PDC are sent each to a specific slit. Beyond representing an interesting example of relation between visibility of interference and "welcher weg" knowledge, this configuration has been suggested for testing de Broglie-Bohm theory against Standard Quantum Mechanics. Our results perfectly fit SQM results, but disagree with dBB predictions. Then, we discuss a recent experiment addressed to clarify the issue of which wave-particle observables are really to be considered when discussing wave particle duality. This experiments realises the Agarwal et al. theoretical proposal, overcoming limitations of a former experiment. Finally, we hint to the realization of a high-intensity high-spectral-selected PDC source to be used for quantum information studies

Coping Skills and Parent Support Mediate the Association Between Childhood Attention-Deficit/Hyperactivity Disorder and Adolescent Cigarette Use

To examine mediators of the association between childhood attention-deficit/hyperactivity disorder (ADHD) and adolescent cigarette use

Compatibility of Zr2AlCZr_{2}AlC MAX phase-based ceramics with oxygen-poor, static liquid lead-bismuth eutectic

This work investigates the compatibility of $Zr_{2}AlC$ MAX phase-based ceramics with liquid LBE, and proposes a mechanism to explain the observed local $Zr_{2}AlC$/LBE interaction. The ceramics were exposed to oxygen-poor ($C_{O}\le2.2 \cdot10^{-10}$ mass%), static liquid LBE at 500{\deg}C for 1000 h. A new $Zr_{2}(Al,Bi,Pb)C$ MAX phase solid solution formed in-situ in the LBE-affected $Zr_{2}AlC$ grains. Out-of-plane ordering was favorable in the new solid solution, whereby $\textit{A}$-layers with high and low-Bi/Pb contents alternated in the crystal structure, in agreement with first-principles calculations. Bulk $Zr_{2}(Al,Bi,Pb)C$ was synthesized by reactive hot pressing to study the crystal structure of the solid solution by neutron diffraction

The Nearby Evolved Stars Survey I. JCMT/SCUBA-2 Submillimeter Detection of the Detached Shell of U Antliae

We present the highest resolution single-dish submillimetre observations of the detached shell source U Antliae to date. The observations were obtained at 450 and 850m with SCUBA-2 instrument on the James Clerk Maxwell Telescope as part of the Nearby Evolved Stars Survey. The emission at 850m peaks at 40 arcsec with hints of a second peak seen at 20 arcsec. The emission can be traced out to a radius of 56 arcsec at a 3 level. The outer peak observed at 850m aligns well with the peak observed at Herschel/PACS wavelengths. With the help of spectral energy distribution fitting and radiative transfer calculations of multiple-shell models for the circumstellar envelope, we explore the various shell structures and the variation of grain sizes along the in the circumstellar envelope. We determine a total shell dust mass of (2.0 0.3) 105 M and established that the thermal pulse that gave rise to the detached shell occurred 3500 500 yr ago

Computational Study on the Inhibitory Effect of Natural Compounds against the SARS-CoV-2 Proteins

COVID-19 is more virulent and challenging to human life. In India, the Ministry of AYUSH recommended some strategies through Siddha, homeopathy, and other methods to effectively manage COVID-19 (Guidelines for AYUSH Clinical Studies in COVID-19, 2020). Kabasura Kudineer and homeopathy medicines are in use for the prevention and treatment of COVID-19 infection; however, the mechanism of action is less explored. This study aims to understand the antagonist activity of natural compounds found in Kabasura Kudineer and homeopathy medicines against the SARS-CoV-2 using computational methods. Potential compounds were screened against NSP-12, NSP-13, NSP-14, NSP-15, main protease, and spike proteins. Structure-based virtual screening results shows that, out of 14,682 Kabasura Kudineer compounds, the 250395, 129677029, 44259583, 44259584, and 88583189 compounds and, out of 3,112 homeopathy compounds, the 3802778, 320361, 5315832, 14590080, and 74029795 compounds have good scoring function against the SARS-CoV-2 structural and nonstructural proteins. As a result of docking, homeopathy compounds have a docking score ranging from −5.636 to 13.631 kcal/mol, while Kabasura Kudineer compounds have a docking score varying from −8.290 to −13.759 kcal/mol. It has been found that the selected compounds bind well to the active site of SARS-CoV-2 proteins and form hydrogen bonds. The molecular dynamics simulation study shows that the selected compounds have maintained stable conformation in the simulation period and interact with the target. This study supports the antagonist activity of natural compounds from Kabasura Kudineer and homeopathy against SARS-CoV-2’s structural and nonstructural proteins.</p