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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 541 records · Page 30

Stabilization of reactive rare earth alkyl complexes through mechanistic studies

Rare earth tris(alkyl) complexes such as M(CH 2 SiMe 3 ) 3 (sol) n are widely used as precursors for many compounds and as homogeneous catalysts for alkene polymerization and alkane functionalization. However, the thermal instability of those most conveniently made from the commercially available lithium salt of the neosilyl anion, LiCH 2 SiMe 3 , Li(r), restricts their utility. We present a new range of synthetically useful, more kinetically stable rare earth neosilyl solvates, derived from a full kinetic study of the various possible decomposition mechanisms of 7 known and 12 new solvated rare earth neosilyl complexes M(CH 2 SiMe 3 ) 3 (sol) n M = Sc(III), Y(III), Lu(III), Sm(III), and sol = THF; TMEDA; DMPE; diglyme ((CH 3 ) 2 (OCH 2 CH 2 ) 2 O, G 2 ), triglyme ((CH 3 ) 2 (OCH 2 CH 2 ) 3 O, G 3 ). Surprisingly, simply using higher-denticity donors to sterically disfavor neosilyl γ-H elimination is not effective. While Sc(r) 3 ((CH 3 ) 2 (OCH 2 CH 2 ) 2 O) has a half-life, t 1/2 , of 258.1 h, six times longer than for Sc(r) 3 (C 4 H 8 O) 2 (t 1/2 = 43 h), Lu(r) 3 ((CH 3 ) 2 (OCH 2 CH 2 ) 2 O) and Y(r) 3 ((CH 3 ) 2 (OCH 2 CH 2 ) 2 O) do not show the expected, analogous increased t 1/2 . This is because new decomposition pathways appear for poorly fitting donors. Finally, kinetic studies demonstrate the impact of small, and increasing amounts of LiCl on the kinetics of the reactivity of the smaller alkyls Y(r) 3 (THF) 2 and Lu(r) 3 (THF) 2 ; molecules used in hydrocarbon chemistry and catalysis for fifty years. A new route to pure Y(r) 3 (THF) 2 , which avoids the traditional use of Li(r), is presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-throughput and data-driven search for stable optoelectronic AMSe 3 materials

The rapid advancement in emerging optoelectronic technologies demands highly efficient, affordable, and ecofriendly materials. In this context, ternary chalcogenides, especially ternary selenides, show early promise as a material class due to their stability and remarkable electronic, optical, and transport properties. In this work, we integrate first-principles-based high-throughput computations with machine learning (ML) techniques to predict the thermodynamic stability and optoelectronic properties of 920 valency-satisfied selenide compounds. Through investigating polymorphism, our study reveals the edge-sharing orthorhombic Pnma phase (NH 4 CdCl 3 -type) as the most stable structure for most ternary selenides. High-fidelity supervised ML models are trained and tested to accelerate stability and band gap predictions. These data-driven models pin down the most influential features that dominantly control key material characteristics. The multistep high-throughput computations identify the ternary selenides with optimal direct band gaps, light carrier masses, and strong optical absorption edges. The extensive materials screening considering phase stability, toxicity, and defect tolerance, finally identifies the seven most suitable candidates for photovoltaic applications. Two of these final compounds, SrZrSe 3 and SrHfSe 3 , have already been synthesized in a single-phase form, with the latter showing an optically suitable band gap, aligning well with our findings. The non-adiabatic molecular dynamics reveal sufficiently long photoexcited charge carrier lifetimes (on the order of nanoseconds) in some of these selected selenide materials, indicating their exciting characteristics. Overall, our study suggests a robust in silico framework that can be extended to screen large datasets of various material classes for identifying promising photoactive candidates.

36 MATERIALS SCIENCE↗

Binary particle swarm optimisation‐based optimal substation coverage algorithm for phasor measurement unit installations in practical systems

Phasor measurement units (PMUs) play an important role in the wide‐area monitoring and protection of modern power systems. Historically, their deployment was limited by the prohibitive cost of the device itself. Therefore, the objective of the conventional optimal PMU placement problem was to find minimum number of devices, which when carefully placed throughout the network, maximised observability subject to different constraints. Due to improvements in relay technology, digital relays can now serve as both relays and PMUs. Under such circumstances, the substation installations consume the largest portion of the deployment cost, and not the devices themselves. Thus, for minimising cost of synchrophasor deployment, number of substation installations must be minimised. This study uses binary particle swarm optimisation to minimise number of substations in which installations must be performed for making all voltage levels observable, while being subject to various practical constraints. Standard IEEE systems have been used to explain the technique. Finally, a large‐scale network of Dominion Virginia Power is used as the test bed for implementation.

Mishra, Chetan↗

Improving photovoltaic hosting capacity of distribution networks with coordinated inverter control: A case study of the EPRI J1 feeder

Abstract Adding photovoltaic (PV) systems in distribution networks, while desirable for reducing the carbon footprint, can lead to voltage violations under high solar‐low load conditions. The inability of traditional volt‐VAr control in eliminating all the violations is also well‐known. This article presents a novel coordinated inverter control methodology that leverages system‐wide situational awareness to significantly improve hosting capacity (HC). The methodology employs a real‐time voltage‐reactive power (VQ) sensitivity matrix in an iterative linear optimizer to calculate the minimum reactive power intervention from PV inverters needed for mitigating over‐voltage without resorting to active power curtailing or requiring step voltage regulator setting changes. The algorithm is validated using the EPRI J1 feeder under an extensive set of realistic use cases and is shown to provide 3x improvement in HC under all scenarios.

Dalal, Dhaval [School of Electrical, Computer, and↗

A horseshoe-shaped ring of diffuse emission detected at 1.4 GHz

We identify a horseshoe-shaped ring (HSR) of diffuse emission in J1407+0453 from the Faint Images of Radio Sky at Twenty-cm (FIRST) survey using the Very Large Array telescope at 1.4 GHz. An optical galaxy, SDSS J140709.01+045302.1, is present near the limb of the HSR of J1407+0453, with a spectroscopic redshift ofz = 0.13360. The total extent of the source, including the diffuse emission of J1407+0453, is 65 arcsec (with a physical extent of 160 kpc), whereas the diameter of the HSR is approximately 10 arcsec (25 kpc). The flux density of the HSR is ∼47 mJy at 1400 MHz, whereas the flux densities of the whole diffuse emission of J1407+0453 at 1400 MHz and 150 MHz are 172 mJy and 763 mJy, respectively. We measure the radio luminosity of HSR J1407+0453 as 1.94 × 10 24 W Hz −1 , with a spectral index,α 150 1400 = −0.67. The black hole mass of J1407+0453 is 5.8 × 10 8 M ⊙ . We compare the HSR of diffuse emission of J1407+0453 with other discovered diffuse circular sources. The possible formation scenarios for J1407+0453 are discussed, so as to understand the nature of the source. We present a spectral index map of source J147+0453 to study the spectral properties of the source.

Astronomy & Astrophysics↗

The stellar origins of 96 Zr excesses in presolar graphites from the Murchison meteorite

Context. Zirconium-96 is a stable isotope that can be synthesized under different neutron-rich nucleosynthetic conditions. Astrophysical models predict its production to occur in various stellar environments: from low-to-intermediate-mass asymptotic giant branch (AGB) stars to massive stars and core-collapse supernovae. Aims. Detections of 96Zr excesses, in combination with other isotopic measurements from presolar grains can provide unique constraints on its stellar origin. Presolar grains are microscopic particles found in primitive Solar System materials, which formed in stellar winds and supernova ejecta. The isotopic composition of each grain can provide us a snapshot of the nucleosynthetic processes that took place during the parent star’s lifetime. Methods. In this study, we measured the stable isotopes of C, N, O, Mo, Zr, and Ru in high-density presolar graphite grains from the Murchison meteorite and found four grains that contain positive isotopic anomalies in 96 Zr carried by their internal subgrains. We analyzed multi-element isotopic datasets from each grain to explore the source of the observed 96 Zr excesses. Results. Comparisons with stellar models indicate that two grains likely condensed in an intermediate-mass AGB star with initial metallicity of Z ≤ 0.014. Their 96 Zr/ 94 Zr ratios also match those predicted for born-again AGB stars undergoing a very late thermal pulse and rapidly accreting white dwarfs. After comparing the relative populations of the aforementioned dust-producing stars, we propose rapidly accreting white dwarfs as a new, and more likely, stellar source for one of the presolar grains. The remaining two grains could have originated in the supernova ejecta of massive stars, due to correlated excesses in the p-nuclides, 92, 94 Mo. Thus, grains with 96 Zr anomalies can have a variety of stellar origins, in agreement with theoretical studies. Conclusions. Our study highlights the importance of multi-element analysis in constraining the types of stars where presolar grains have condensed. These data will help improve our understanding of various nucleosynthesis processes in different stellar phases.

79 ASTRONOMY AND ASTROPHYSICS↗

Global effects on Ionospheric Weather over the Indian subcontinent at Sunrise and Sunset

Study of Very Low Frequency (VLF) electromagnetic wave is very important for knowing the behavior of the Ionospheric layers due to Sunrise-Sunset, Earthquakes, Solar flares, Solar eclipses and other terrestrial and extra terrestrial radiations. We study the properties of the variation of the VLF signal strength theoretically all over Indian sub-continent. As an example, we concentrate on the VLF signal transmitted by Indian Naval Transmitter VTX at Vijayanarayanam (Latitude 08 deg. 23', Longitude 77 deg. 45') near the southern tip of Indian subcontinent. As has been noticed, several receiving stations placed during the VLF campaign in all over India, the VLF signal strength varies significantly with place and time. To understand the diurnal and seasonal variation of the received signal, a complete knowledge of physics of intensity distribution of the VLF signal is essential. The spatial variation of VLF signal plays an important role in selecting future VLF stations. In the wave-hop theoretical model presented here, horizontally stratified ionospheric layers have been considered. The VLF wave emitted by the transmitter has both the ground wave and the sky wave components. The ground wave attenuates during propagation. The sky wave component experiences reflections by the ionosphere on its way to the receiver and its attenuation depends on the degree of ionization. Intensity variation occurs at a given receiver location for interference among singly and multiply reflected waves. This has been simulated considering some simplified and justifiable assumptions. This spatial variation wave-hop theoretical model developed here has been compared with LWPC code generated results.

79 ASTRONOMY AND ASTROPHYSICS↗

Results of VLF campaigns in Summer, Winter and during Solar Eclipse in Indian Subcontinent and Beyond

VLF propagation effects are generally understood in terms of the earth-ionosphere waveguide. However, details of the theory are still incomplete. Particularly important are the newly emerging fields of VLF Astronomy where the ionosphere is treated as a giant detector for extraterrestrial energetic phenomena and the subject of lithosphere-ionosphere coupling where the the disturbances of this giant detector is influenced by terrestrial events, especially earthquakes and other seismic activities. We review the activities of our group in these fields. In particular, we concentrate on the results of the VLF campaigns we conducted using over a dozen receiving stations in Summer, in Winter and during the Total Solar eclipse in July, 2009. We also discuss briefly the results we obtained in Antarctica and their implications.

58 GEOSCIENCES↗

Parametric Decay of Pump Waves into two Linear Modes in SINP MaPLE Device

Parametric decay of incident waves of ion cyclotron frequency range into linear modes is observed in experiment performed in the SINP MaPLE device where nitrogen plasma produced by ECR discharge. Along with a mode in drift wave frequency range, sideband of the incident waves are observed when amplitude of the exciter signal goes above a threshold value. Sideband of the second harmonic is also seen. Preliminary studies point towards excitation of ion Bernstein wave. Details of the experimental results are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Parametric Studies Of Weld Quality Of Tungsten Inert Gas Arc Welding Of Stainless Steel

Effect of current and gas flow rate on quality of weld in tungsten inter gas arc welding of austenitic stainless steel has been studied in the present work through experiments and analyses. Butt welded joints have been made by using several levels of current and gas flow rate. The quality of the weld has been evaluated in terms of ultimate and breaking strengths of the welded specimens. The observed data have been interpreted, discussed and analyzed by using Grey--Taguchi methodology. Optimum parametric setting has been predicted and validated as well.

36 MATERIALS SCIENCE↗

Preparation and Structural Analysis of CdS Nanoparticle Embedded Polyurethane Nanocomposites

Polymer nanocomposite samples of different weight ratio of CdS were developed by solution embedding of nanoparticles in polyurethane. XRD and Scanning Electron Microscopy (SEM) were used to understand the structural properties of polymer nanocomposite samples. SEM micrograph demonstrates the dispersion of CdS nanoparticles in polymer matrix. It has been observed that crystallinity of PU decreases with increase in concentration of CdS nanoparticles. The XRD data show the characteristic peaks of nanoparticles (i.e.CdS) in nanocomposite samples, which confirm the nanostructure formation in polymer matrix.

36 MATERIALS SCIENCE↗

High contrast imaging and thickness determination of graphene with in-column secondary electron microscopy

We report a new method for quantitative estimation of graphene layer thicknesses using high contrast imaging of graphene films on insulating substrates with a scanning electron microscope. By detecting the attenuation of secondary electrons emitted from the substrate with an in-column low-energy electron detector, we have achieved very high thickness-dependent contrast that allows quantitative estimation of thickness up to several graphene layers. The nanometer scale spatial resolution of the electron micrographs also allows a simple structural characterization scheme for graphene, which has been applied to identify faults, wrinkles, voids, and patches of multilayer growth in large-area chemical vapor deposited graphene. We have discussed the factors, such as differential surface charging and electron beam induced current, that affect the contrast of graphene images in detail.

36 MATERIALS SCIENCE↗

Studies on Temperature Dependence of Rubidium Lamp for Atomic Frequency Standard

Rb lamp is a very critical component of the Rb atomic clock's Physics Package. The Rb lamp's performance is very sensitive to temperature and its stability. In this paper we discuss the behaviors of Rb Lamp with temperature. The Rb lamp exciter power and temperature of Rb bulb are very important parameters in controlling the performance of the Rb Lamp. It is observed that at temperatures beyond 110 deg. C, the lamp mode changes from the ring to red mode resulting in abnormal broadening of emission lines and self reversal. The results of our studies on spectral analysis of Rb lamp under various operating conditions are reported in the paper.

74 ATOMIC AND MOLECULAR PHYSICS↗

Optical and structural analysis of lead bismuth silicate glasses

Glasses having compositions 20PbO(79.5-x)Bi{sub 2}O{sub 3}xSiO{sub 2} (x = 10,30,50) doped with 0.5 mole% of Nd{sup 3+} ions were prepared by melt quench technique. The spectroscopic properties of the glasses were investigated using optical absorption and fluorescence spectra. The structural investigations of these glasses were carried out by recording the IR spectra. The variation of {Omega}{sub 2} with Bi{sub 2}O{sub 3} content has been attributed to changes in the asymmetry of the ligand field at the rare earth ion site and to the changes in the rare earth oxygen covalency. Heavy metal oxide glasses have been used as potential candidate in solid state laser, solar concentrators, optical detector, optical fiber and fluorescent display devices.

36 MATERIALS SCIENCE↗

Measurement of probe displacement to the thermal resolution limit in photonic force microscopy using a miniature quadrant photodetector

A photonic force microscope comprises of an optically trapped micro-probe and a position detection system to track the motion of the probe. Signal collection for motion detection is often carried out using the backscattered light off the probe-however, this mode has problems of low S/N due to the small backscattering cross sections of the micro-probes typically used. The position sensors often used in these cases are quadrant photodetectors. To ensure maximum sensitivity of such detectors, it would help if the detector size matched with the detection beam radius after the condenser lens (which for backscattered detection would be the trapping objective itself). To suit this condition, we have used a miniature displacement sensor whose dimensions makes it ideal to work with 1:1 images of micrometer-sized trapped probes in the backscattering detection mode. The detector is based on the quadrant photo-integrated chip in the optical pick-up head of a compact disc player. Using this detector, we measured absolute displacements of an optically trapped 1.1 {mu}m probe with a resolution of {approx}10 nm for a bandwidth of 10 Hz at 95% significance without any sample or laser stabilization. We characterized our optical trap for different sized probes by measuring the power spectrum for each probe to 1% accuracy, and found that for 1.1 {mu}m diameter probes, the noise in our position measurement matched the thermal resolution limit for averaging times up to 10 ms. We also achieved a linear response range of around 385 nm with cross talk between axes {approx_equal}4% for 1.1 {mu}m diameter probes. The detector has extremely high bandwidth (few MHz) and low optical power threshold-other factors that can lead to its widespread use in photonic force microscopy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗