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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Sr{sub 1.98}Eu{sub 0.02}SiO{sub 4} luminescence whisker based on vapor-phase deposition: Facile synthesis, uniform morphology and enhanced luminescence properties

Highlights: • For the first time, it is possible to obtain Sr{sub 1.98}Eu{sub 0.02}SiO{sub 4} whisker. • The whiskers are smooth and uniform with L/D ratio over 50. • Durability and thermal stability of the whisker are enhanced. - Abstract: A high performance strontium silicate phosphor has been successfully synthesized though a facile vapor-phase deposition method. The product consists of single crystal whiskers which are smooth and uniform, and with a sectional equivalent diameter of around 5 μm; the aspect ratio is over 50 and no agglomeration can be observed. X-ray diffraction result confirmed that the crystal structure of the whisker was α’-Sr{sub 2}SiO{sub 4}. The exact chemical composition was Sr{sub 1.98}Eu{sub 0.02}SiO{sub 4} which was analyzed by energy dispersive spectrometer and inductively coupled plasma-mass spectrometer. The whisker shows broad green emission with peak at 523 nm ranging from 470 to 600 nm (excited at 370 nm). Compared with traditional Sr{sub 2}SiO{sub 4}:Eu phosphor, durability (at 85% humidity and 85 °C) and thermal stability of the whisker are obviously improved. Moreover, growth mechanism of the Sr{sub 1.98}Eu{sub 0.02}SiO{sub 4} whiskers is Vapor–Liquid–Solid. On a macro-scale, the product is still powder which makes it suitable for the current packaging process of WLEDs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Multitaper Magnitude‐Squared Coherence for Time Series With Missing Data: Understanding Oscillatory Processes Traced by Multiple Observables

To explore the hypothesis of a common source of variability in two time series, observers may estimate the magnitude-squared coherence (MSC), which is a frequency-domain view of the cross correlation. For time series that do not have uniform observing cadence, MSC can be estimated using Welch's overlapping segment averaging. However, multitaper has superior statistical properties to Welch's method in terms of the tradeoff between bias, variance, and bandwidth. The classical multitaper technique has recently been extended to accommodate time series with underlying uniform observing cadence from which some observations are missing. This situation is common for solar and geomagnetic data sets, which may have gaps due to breaks in satellite coverage, instrument downtime, or poor observing conditions. We demonstrate the scientific use of missing-data multitaper magnitude-squared coherence by detecting known solar mid-term oscillations in simultaneous, missing-data time series of solar Lyman α flux and geomagnetic Disturbance Storm Time index. Due to their superior statistical properties, we recommend that multitaper methods be used for all heliospheric time series with underlying uniform observing cadence.

Astro-statistics techniques (1886)↗
DOE OSTI2018

Ultra-low-density silver aerogels via freeze-substitution

In this paper, we reported a method for fabricating <10 mg/cm 3 silver aerogels via the freeze casting of aqueous nanowire suspensions followed by freeze substitution and supercritical drying. This method overcomes the limitations of traditional freeze drying and yields highly uniform, crack-free monoliths that undergo no measurable shrinkage with excellent mold reproduction. Significantly, freeze substitution enables the use of high concentrations of cryoprotectants to control the freezing process and, hence, the pore architecture of the resulting aerogels. Due to its physical nature, this method is applicable to the fabrication of materials with a broad range of compositions.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Liquid drop technique for generation of organic glass and metal shells

It was found that liquid drop techniques are very useful in several diverse areas. For producing very uniform metallic, organic, inorganic and, on particular, glassy shells, the liquid jet method is the most reproducible and exceptionally useful of all the techniques studied. The technique of capillary wave synchronization of the break-up of single and multiple component jets was utilized to produce uniform sized liquid drops and solid particles, and hollow liquid and solid shells. The technique was also used to encapsulate a number of liquids in impermeable spherical shells. Highly uniform glass shells were made by generating uniform drops of glass forming materials in an aqueous solution, subsequently evaporating the water, and then fusing and blowing the remaining solids in a high temperature vertical tube furnace. Experimental results are presented and the critical problems in further research in this field are discussed.

Hendricks, C. D.↗
DOE OSTI2020

Finite-temperature coupled cluster: Efficient implementation and application to prototypical systems

In this work, we discuss the theory and implementation of the finite temperature coupled cluster singles and doubles (FT-CCSD) method including the equations necessary for an efficient implementation of response properties. Numerical aspects of the method including the truncation of the orbital space and integration of the amplitude equations are tested on some simple systems, and we provide some guidelines for applying the method in practice. The method is then applied to the 1D Hubbard model, the uniform electron gas (UEG) at warm, dense conditions, and some simple materials. The performance of model systems at high temperatures is encouraging: for the one-dimensional Hubbard model, FT-CCSD provides a qualitatively accurate description of finite-temperature correlation effects even at U = 8, and it allows for the computation of systematically improvable exchange–correlation energies of the warm, dense UEG over a wide range of conditions. We highlight the obstacles that remain in using the method for realistic ab initio calculations on materials

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1947

Voltera's Solution of the Wave Equation as Applied to Three-Dimensional Supersonic Airfoil Problems

A surface integral is developed which yields solutions of the linearized partial differential equation for supersonic flow. These solutions satisfy boundary conditions arising in wing theory. Particular applications of this general method are made, using acceleration potentials, to flat surfaces and to uniformly loaded lifting surfaces. Rectangular and trapezoidal plan forms are considered along with triangular forms adaptable to swept-forward and swept-back wings. The case of the triangular plan form in sideslip is also included. Emphasis is placed on the systematic application of the method to the lifting surfaces considered and on the possibility of further application.

Heslet, Max A↗
DOE OSTI2025

Toward scalable bound-to-resonance extrapolations for few- and many-body systems

In open quantum many-body systems, the theoretical description of resonant states of many particles strongly coupled to the continuum can be challenging. Such states are commonplace in, for example, exotic nuclei and hadrons, and can reveal important information about the underlying forces at play in these systems. In this work, we demonstrate that the complex-augmented eigenvector continuation (CA-EC) method, originally formulated for the two-body problem with uniform complex scaling, can reliably perform bound-to-resonance extrapolations for genuine three-body resonances having no bound subsystems. Here, we first establish that three-body bound-to-resonance extrapolations are possible by benchmarking different few-body approaches, and we provide arguments to explain how the extrapolation works in the many-body case. We furthermore pave the way towards scalable resonance extrapolations in many-body systems by showing that the CA-EC method also works in the Berggren basis, studying a realistic application using the Gamow shell model.

Ab initio calculations↗
NASA NTRS1993

Boundary conditions and the simulation of low Mach number flows

The problem of accurately computing low Mach number flows, with the specific intent of studying the interaction of sound waves with incompressible flow structures, such as concentrations of vorticity is considered. This is a multiple time (and/or space) scales problem, leading to various difficulties in the design of numerical methods. Concentration is on one of these difficulties - the development of boundary conditions at artificial boundaries which allow sound waves and vortices to radiate to the far field. Nonlinear model equations are derived based on assumptions about the scaling of the variables. Then these are linearized about a uniform flow and exact boundary conditions are systematically derived using transform methods. Finally, useful approximations to the exact conditions which are valid for small Mach number and small viscosity are computed.

Hagstrom, Thomas↗
DOE OSTI2015

Long range self-assembly of polythiophene breath figures: Optical and morphological characterization

Large area, device relevant sized microporous thin films are formed with commercially available polythiophenes by the breath figure technique, a water-assisted micro patterning method, with such semitransparent thin films exhibiting periodicity and uniformity dictated by the length of the polymer side chain. Compared to drop casted thin films, the microporous thin films exhibit increased crystallinity due to stronger packing of the polymer inside the honeycomb frame.

36 MATERIALS SCIENCE↗
DOE OSTI2016

An Effectively Activated Hierarchical Nano-/Microspherical Li 1.2 Ni 0.2 Mn 0.6 O 2 Cathode for Long-Life and High-Rate Lithium-Ion Batteries

Rechargeable lithium-ion batteries with high energy and high power density are required in the application of electric vehicles and portable electronics. Herein, we introduce a type of spherical Li-rich cathode material, Li1.2Ni0.2Mn0.6O2, assembled from uniform nanocubes by a facile polyvinylpyrrolidone (PVP)-assisted hydrothermal method. The material with a hierarchical nano-/microstructure exhibits stable high-rate performance. Furthermore, the precipitant (i.e., urea) and the structure-directing agent (i.e., PVP) effectively activated the Li2MnO3 components in the microscale material to achieve a high specific capacity of 298.5 mAh g-1 in the first cycle. This Li-rich cathode material still delivered 243 mAh g-1 at 0.1 C after 200 cycles and the capacity retentions at 0.5, 1, 2, and 5mC were 94.4, 78.7, 76.3, and 67.8 % after 150 cycles, respectively. The results make this Li-rich nano-/microstructure a promising cathode material for long-life and high-performance lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2019

Monitoring of Thermal-Induced Changes in Liver Stiffness During Controlled Hyperthermia and Microwave Ablation in an Ex Vivo Bovine Model Using Point Shear Wave Elastography

Purpose: To investigate liver stiffness changes—evaluated by point shear wave elastography (pSWE)—in controlled hyperthermia and microwave ablation (MWA) in an ex vivo animal model. Materials and Methods: Five samples of ex vivo bovine liver were uniformly heated to temperatures ranging from 40 to 100 °C. B-mode ultrasound imaging and pSWE were acquired simultaneously, and shear wave velocity (SWV) was measured in a region of interest (ROI). The threshold value of SWV at 60 °C (avg60) was identified. Subsequently, MWA was performed in 11 liver samples at 60 W until avg60 + 0.5 m/s was reached. SWV was measured in ROIs at 10–40 mm from the antenna feed. The correlation of mean values of SWV with location (within, border, or outside necrotic area) at gross pathology was evaluated. Results: In controlled hyperthermia experiments, a steep transition in liver stiffness was observed at 63.0 ± 2.4 °C (SWV 3.54 ± 0.68 m/s). Avg60 was of 2.5 m/s. In 8/9 MWA experiments, interrupted when SWV of 3 m/s was measured, the ROI was at the inner side of the necrotic area border at pathology (accuracy 89%). No correlation between SWV values for outside, border, and within necrosis could be identified. Conclusions: pSWE can provide a velocity threshold predictive of the presence of coagulation necrosis during MWA in ex vivo liver model. However, pSWE is not able to reliably capture changes in stiffness within, at the border, and outside the necrotic zone in this experimental model.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

Assessment of Reproducibility of Laser Electrospray Mass Spectrometry using Electrospray Deposition of Analyte

A nonresonant, femtosecond (fs) laser is employed to desorb samples of Victoria blue deposited on stainless steel or indium tin oxide (ITO) slides using either electrospray deposition (ESD) or dried droplet deposition. The use of ESD resulted in uniform films of Victoria blue whereas the dried droplet method resulted in the formation of a ring pattern of the dye. Laser electrospray mass spectrometry (LEMS) measurements of the ESD-prepared films on either substrate were similar and revealed lower average relative standard deviations for measurements within-film (20.9%) and between-films (8.7%) in comparison to dried droplet (75.5% and 40.2%, respectively). The mass spectral response for ESD samples on both substrates was linear (R{sup 2} > 0.99), enabling quantitative measurements over the selected range of 7.0 × 10{sup −11} to 2.8 × 10{sup −9} mol, as opposed to the dried droplet samples where quantitation was not possible (R{sup 2} = 0.56). The limit of detection was measured to be 210 fmol. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Energy levels of a quantum particle on a cylindrical surface with non-circular cross-section in electric and magnetic fields

We calculate the energy levels of a quantum particle on a cylindrical surface with non-circular cross-section in uniform electric and magnetic fields. Using separation of variables method and a change of independent variable, we show that the problem can be reduced to a one-dimensional Schrödinger equation for a periodic potential. The effects of varying the shape of the cross-section while keeping the same perimeter and the strengths of the electric and magnetic fields are investigated for elliptical, corrugated, and nearly-rectangular tubes with radial dimensions of the order of a nanometer. The geometric potential has minima at the angular positions where there is a significant amount of curvature. For the elliptical and corrugated tubes, it is shown that as the tube departs from the circular shape of cross-section the double-degeneracy between the energy levels is lifted. For the nearly-rectangular tube, it is shown that energy level crossings occur as the horizontal dimension of the tube is varied while keeping the same perimeter and radius of circular corners. The interplay between the curvature and the strength of the electric and magnetic fields determines the overall behavior of the energy levels. As the strength of the electric field increases, the overall potential gets skewed creating a potential well on the side corresponding to the more negative electric potential. The energy levels of the first few excited states approach more positive values while the ground state energy level approaches a more negative value. For large electric fields, all bound state energy levels tend to more negative values. The contribution of weak magnetic fields to the overall potential behaves in the same way as the electric field contribution but with its sign depending on the direction of the component of the momentum parallel to the cylindrical axis. Large magnetic fields lead to pairing of energy levels reminiscent of 2D Landau levels for the elliptical and nearly-rectangular tubes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Site-Specific Phosphorylation of Ikaros Induced by Low-Dose Ionizing Radiation Regulates Cell Cycle Progression of B Lymphoblast Through CK2 and AKT Activation

Purpose: To determine how low-dose ionizing radiation (LDIR) regulates B lympho-proliferation and its molecular mechanism related with Ikaros, transcription factor. Methods and Materials: Splenocytes and IM-9 cells were uniformly irradiated with various doses of a {sup 137}Cs γ-source, and cell proliferation was analyzed. To determine the LDIR-specific phosphorylation of Ikaros, immunoprecipitation and Western blot analysis were performed. To investigate the physiologic function of LDIR-mediatied Ikaros phosphorylation, Ikaros mutants at phosphorylation sites were generated, and cell cycle analysis was performed. Results: First, we found that LDIR enhances B lymphoblast proliferation in an Ikaros-dependent manner. Moreover, we found that LDIR elevates the phosphorylation level of Ikaros protein. Interestingly, we showed that CK2 and AKT are involved in LDIR-induced Ikaros phosphorylation and capable of regulating DNA binding activity of Ikaros via specific phosphorylation. Finally, we identified LDIR-specific Ikaros phosphorylation sites at S391/S393 and showed that the Ikaros phosphorylations at these sites control Ikaros's ability to regulate G1/S cell cycle progression. Conclusion: Low-dose ionizing radiation specifically phosphorylates Ikaros protein at Ser 391/393 residues to regulate cell cycle progression in B lymphoblast.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Mesoporous palladium–copper ferrites as highly efficient and magnetically separable catalysts for Suzuki coupling reaction

Highlights: • Mesoporous Cu–Pd ferrites were prepared by a facile, mild and environment-friendly route. • The catalysts have shown great efficiencies in Suzuki coupling reaction and up to 36.9 × 10{sup 3} h{sup −1} TOF can be obtained. • The catalyst can be magnetically separated easily and have shown prominent recyclability. - Abstract: Mesoporous Cu–Pd ferrites were prepared by using MCM-41 and SBA-15 mesoporous molecular sieves as hard templates and well characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), ICP-atomic emission spectroscopy, N{sub 2} adsorption–desorption and X-ray photoelectric spectroscopy (XPS). Compared with samples prepared by the sol–gel auto-combustion methods, the as-prepared mesoporous ferrites have shown uniform pore size and much higher specific surface areas. The samples showed a remarkably high activity in connection with the Suzuki coupling reaction, especially Cu{sub 0.99}Pd{sub 0.01}Fe{sub 2}O{sub 4} prepared by using MCM-41 as template obtained an excellent TOF as high as 36.9 × 10{sup 3} h{sup −1} and no obvious decrease in the activity was observed after ten consecutive runs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Predicting the X-ray Absorption Spectrum of Ozone with Single Configuration State Functions

X-ray absorption spectra (XAS) of biradicaloid species are often thought to represent a challenge to theoretical methods. This has led to the testing of recently developed multireference techniques on the XAS of ozone, but reproduction of the experimental spectral profile has proven difficult. We utilize a minimal model consisting of a single configuration state function (CSF) per excited state to model core-level excitations of ozone, with the orbitals of each CSF optimized using the restricted open-shell Kohn–Sham (ROKS) method. This protocol leads to semiquantitative agreement with experimental XAS. In fact, we find that low-lying core-hole excited states in biradicaloids can be approximated with individual CSFs, despite the presence of multireference character in the ground state. Here, we also report that the 1s → π* and 1s → σ* transitions have quite distinct widths for O 3 . This reveals the importance of sampling over a representative range of geometries from the vibrational ground state for properly assessing the accuracy of electronic structure methods against experiments instead of the popular procedure of uniformly broadening stick spectra at the equilibrium geometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Seed-Mediated Colloidal Synthesis of Multimetallic and High-Entropy Alloy Nanocrystal Libraries with Enhanced Catalytic Performance

Engineering colloidally stable multimetallic nanocrystals offers many benefits in a wide range of applications and allows manipulation of physical, chemical, and electronic properties of materials at the nanoscale. Synthesis routes are challenged by the chemical complexity required to temporally and spatially coordinate the reduction and alloying of multiple metal species, which has hampered the development of tunable libraries of colloidal materials to date. Here, in this work, we demonstrate a seed-mediated synthesis method to incorporate five or more metal elements into uniform, colloidally stable nanocrystals. By integrating machine learning-accelerated simulations, the synthesis of shortlisted high-entropy alloy nanocrystals was demonstrated. Multiple seed materials can be used, leading to a library of multimetallic nanocrystals with tunable electronic, physical, and alloy structures. The advantage of this synthetic protocol is highlighted in the preparation of catalytic materials that showed 2 orders of magnitude higher reaction rates than monometallic catalysts and outstanding thermal stability, thus highlighting the promise of this approach for high-performance materials in many areas.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

The extended Baryon Oscillation Spectroscopic Survey: Variability selection and quasar luminosity function

The extended Baryon Oscillation Spectroscopic Survey of the Sloan Digital Sky Survey (SDSS-IV/eBOSS) has an extensive quasar program that combines several selection methods. Among these, the photometric variability technique provides highly uniform samples, which are unaffected by the redshift bias of traditional optical-color selections, when z = 2.7-3.5 quasars cross the stellar locus or when host galaxy light affects quasar colors at z< 0.9. We present the variability selection of quasars in eBOSS, focusing on a specific program that led to a sample of 13 876 quasars to g dered = 22.5 over a 94.5 deg 2 region in Stripe 82, which has an areal density 1.5 times higher than over the rest of the eBOSS footprint. We use these variability-selected data to provide a new measurement of the quasar luminosity function (QLF) in the redshift range of 0.68 g (z = 2) = -21.80 at low redshift and to M g (z = 2) = -26.20 at z ~ 4. We fit the QLF using two independent double-power-law models with ten free parameters each. The first model is a pure luminosity-function evolution (PLE) with bright-end and faint-end slopes allowed to be different on either side of z = 2.2. The other is a simple PLE at z< 2.2, combined with a model that comprises both luminosity and density evolution (LEDE) at z> 2.2. Both models are constrained to be continuous at z = 2.2. They present a flattening of the bright-end slope at high redshift. The LEDE model indicates a reduction of the break density with increasing redshift, but the evolution of the break magnitude depends on the parameterization. The models are in excellent accord, predicting quasar counts that agree within 0.3% (resp., 1.1%) to g< 22.5 (resp., g< 23). The models are also in good agreement over the entire redshift range with models from previous studies.

79 ASTRONOMY AND ASTROPHYSICS↗