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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Measurement of b jet shapes in proton-proton collisions at $\sqrt{s} =$ 5.02 TeV

We present the first study of charged-hadron production associated with jets originating from b quarks in proton-proton collisions at a center-of-mass energy of 5.02 TeV. The data sample used in this study was collected with the CMS detector at the CERN LHC and corresponds to an integrated luminosity of 27.4 pb$^{−1}$. To characterize the jet substructure, the differential jet shapes, defined as the normalized transverse momentum distribution of charged hadrons as a function of angular distance from the jet axis, are measured for b jets. In addition to the jet shapes, the per-jet yields of charged particles associated with b jets are also quantified, again as a function of the angular distance with respect to the jet axis. Extracted jet shape and particle yield distributions for b jets are compared with results for inclusive jets, as well as with the predictions from the pythia and herwig++ event generators.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Transforming nanoscale VO 2 (B) into a scalable sodium-ion electrode

The intermittent nature of renewable energies requires highly reliable grid-level energy storage approaches. A critical consideration in developing this technology is the areal capacity which determines battery performance and influences the cost of battery technology. Of related importance is finding new ways of developing scalable electrodes. In recent years, three-dimensional (3D) printing of conductive scaffolds has emerged as an alternative to overcome the scalability limitations of commercial tape cast electrodes. The research carried out in the current study demonstrates a successful scalability pathway for nanoscale VO 2 (B), a desirable cathode for sodium-ion batteries which has a nano-flower morphology with a crystallite size < 20 nm. By electrodepositing VO 2 (B) onto a graphene aerogel scaffold, we were able to achieve mass loading of over 100 mg·cm −2 and still possess an areal capacity of 10 mAh·cm −2 at a current density of 5 mA·cm −2 . Moreover, after 1000 cycles, these electrodes retained 75% to 80% of their initial capacity. Even at high loading levels, the electrodeposited VO 2 (B) exhibits pseudocapacitive material signatures such as a box-like voltammetry response, linear galvanostatic response, and no phase change upon lithiation. The scalability of the VO 2 (B) electrode is demonstrated in a series of experiments which show the areal capacity to scale upon increase in both mass loading and electrode thickness, with only small changes in specific capacity. Furthermore, this study establishes that nanoscale materials can be scaled up to achieve thick electrodes without compromising their electrochemical properties.

additive manufacturing↗
DOE OSTI2023

On dysprosium utilisation in multi-main-phase Nd–Dy–Fe–B magnets with core–shell microstructures

The development of high-performance Nd–Dy–Fe–B magnets that minimise the consumption of the scarce rare earth (RE) element Dy remains a major global scientific and technological quest. Here, we designed an alloy microstructure comprising of a uniform Dy-lean core–Dy-rich shell in a series of multi-main-phase (MMP) Nd–Dy–Fe–B magnets. The resulting MMP Dy1 and Dy3 magnets with an overall Dy level of 1 and 3 wt.% possessed values of 0.48 and 0.29 T/wt.% of coercivity increment per unit weight percentage of the Dy addition, respectively. Most importantly, the resulting MMP Dy3 magnet exhibited a high coercivity (2.38 T), an excellent thermal stability of the coercivity (|β| = 0.531%/°C), a high squareness factor (> 95%), all with little diminishment in the remanent magnetisation (1.35 T) and maximum energy product (43.6 MGOe). These properties are superior to the currently available sintered Nd–Dy–Fe–B magnets which utilise higher levels of Dy of 5 wt.%. Via magnetic and multi-scale microstructural characterisation experiments and micromagnetic simulations, the formation of the Dy-lean core–Dy-rich shell microstructure is rationalised via solid-state-diffusion and solution reprecipitation during liquid-phase sintering. The Dy-lean core–Dy-rich shell microstructure and the non-ferromagnetic low-Fe RE-rich grain boundary phase led to the synergistic magnetic performance. This is significant in the context of the MMP Nd–Dy–Fe–B magnets being applied to large-scale production. The present work establishes a pathway for the more sustainable utilisation of Dy in permanent magnets via formation of a uniform core–shell microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Angle-resolved polarized Raman study of layered b-As x P x-1 alloys: Identification of As-P vibrational modes

In this study, the polarization-resolved Raman spectra of b-As x P x-1 flakes with varying arsenic concentration (x = 0, 0.4, and 0.8) are systematically investigated. A clear polarization dependence is observed in the Raman intensity of all the P-P, As-P, and As-As modes and confirmed by the first-principles calculations. The observed angle-dependence can be related to the structure of the Raman tensors of each peak. In particular, the Raman intensities corresponding to As-P vibration modes are studied in detail. The out of plane As-P mode ($A$$^{1}_{g}$) is clearly identified, but the butterfly-shaped behavior observed in the polar plot around 350 cm -1 is interpreted as the combination of the two in-plane vibrations, one along the armchair and the other along the zigzag direction. This work allows unambiguous assignment of the $A$$^{1}_{g}$, B 2g , and $A$$^{2}_{g}$ modes of the As-P vibrational modes and the importance of the consideration of the superposition of the in-plane B 2g and $A$$^{2}_{g}$ modes. Such study can be utilized to further characterize the anisotropic structural properties and analyze the local distribution of the As and P in b-As x P x-1 alloys which will play key roles in electronic and optical properties. Furthermore, this methodology can be further extended to alloyed two-dimensional material systems with in-plane anisotropy in general.

2D materials↗
DOE OSTI2023

Fourier-informed knot placement schemes for B-spline approximation

Fitting B-splines to scientific data is especially challenging when the given data contain noise, jumps, or corners. Here, we describe how periodic data sets with these features can be efficiently approximated with B-splines by analyzing the Fourier spectrum of the data. Our method uses a collection of spectral filters to compute high-order derivatives, smoothed versions of noisy data, and the locations of jump discontinuities. Further, these quantities are then combined to choose knots that capture the qualitative features of the data, leading to accurate B-spline approximations with few knots. The method we introduce is direct and does not require any intermediate B-spline fitting before choosing the final knot distribution. Aside from fast Fourier transforms to transfer to and from Fourier space, the method runs in linear time with very little communication. We assess performance on several test cases in one and two dimensions, including data sets with jump discontinuities and noise. These tests show the method fits discontinuous data without spurious oscillations and remains effective in the presence of noise.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Novel Class of Rhenium Borides Based on Hexagonal Boron Networks Interconnected by Short B 2 Dumbbells

Transition metal borides are known due to their attractive mechanical, electronic, refractive, and other properties. A new class of rhenium borides was identified by synchrotron single-crystal X-ray diffraction experiments in laser-heated diamond anvil cells between 26 and 75 GPa. Recoverable to ambient conditions, compounds rhenium triboride (ReB 3 ) and rhenium tetraboride (ReB 4 ) consist of close-packed single layers of rhenium atoms alternating with boron networks built from puckered hexagonal layers, which link short bonded (~ 1.7 angstrom) axially oriented B 2 dumbbells. The short and incompressible Re-B and B-B bonds oriented along the hexagonal c-axis contribute to low axial compressibility comparable with the linear compressibility of diamond. Sub-millimeter samples of ReB 3 and ReB 4 were synthesized in a large-volume press at pressures as low as 33 GPa and used for material characterization. Crystals of both compounds are metallic and hard (Vickers hardness, H V = 34(3) GPa). Geometrical, crystal-chemical, and theoretical analysis considerations suggest that potential ReB x compounds with x > 4 can be based on the same principle of structural organization as in ReB 3 and ReB 4 and possess similar mechanical and electronic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Spectroscopic Investigation of Shallow Hole Traps in Ga- and B-doped Czochralski Silicon: Insight into Light-Induced Degradation

We report the minority carrier lifetime in B-doped Czochralski (Cz) Si declines upon carrier injection due to light-induced degradation (LID), which is attributed to the formation of a recombination-active boron-oxygen complex. Ga-doped Cz Si does not undergo LID. Previously, we showed that B-doped Cz Si undergoes a transition from paramagnetic to diamagnetic due to LID. Herein, we show that Ga-doped Cz Si remains paramagnetic upon carrier injection. This suggests that either the shallow hole traps that are formed in B-doped Cz Si are absent in Ga-doped Cz Si, or the negative-U centers in Ga-doped Cz Si do not transform into a recombination-active configuration, because the shallow acceptor trap state is shallower than the Ga acceptor level in the forbidden gap. In contrast to B-doped Cz Si, the defect signatures in Ga-doped Cz Si do not change upon light exposure, as detected by both electron paramagnetic resonance and deep-level transient spectroscopy.

14 SOLAR ENERGY↗
DOE OSTI2022

Decoherence of $V^{–}_{B}$ spin defects in monoisotopic hexagonal boron nitride

Spin defects in hexagonal boron nitride (hBN) are promising quantum systems for the design of flexible two-dimensional quantum sensing platforms. Here we rely on hBN crystals isotopically enriched with either 10 B or 11 B to investigate the isotope-dependent properties of a spin defect featuring a broadband photoluminescence signal in the near infrared. By analyzing the hyperfine structure of the spin defect while changing the boron isotope, we first confirm that it corresponds to the negatively charged boron-vacancy center ($V^{–}_{B}$). We then show that its spin coherence properties are slightly improved in 10B-enriched samples. This is supported by numerical simulations employing cluster correlation expansion methods, which reveal the importance of the hyperfine Fermi contact term for calculating the coherence time of point defects in hBN. Using cross-relaxation spectroscopy, we finally identify dark electron spin impurities as an additional source of decoherence. This work provides new insights into the properties of $V^{–}_{B}$ spin defects, which are valuable for the future development of hBN-based quantum sensing foils.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Dynamics and activation of membrane-bound B cell receptor assembly

B-cell receptor (BCR) complexes are expressed on the surface of a B-cell and are critical in antigen recognition and modulating the adaptive immune response. Even though the relevance of antibodies has been known for almost a hundred years, the antigen-dependent activation mechanism of B-cells has remained elusive. Several models have been proposed for BCR activation, including cross-linking, conformation-induced oligomerization, and dissociation activation models. Recently, the first cryo-EM structures of the human B-cell antigen receptor of the IgM and IgG isotypes have been published that validates the asymmetric organization of the BCR complex. Here, we carry out extensive molecular dynamics simulations to probe the conformational changes upon antigen binding and the influence of the membrane lipids. We identify two critical dynamical events that could be associated with antigen-dependent activation of BCR. First, antigen binding causes increased flexibility in regions distal to the antigen binding site. Second, antigen binding alters the rearrangement of IgM transmembrane helices, including the relative interaction of Igα/Igβ that mediates intracellular signaling. Furthermore, these transmembrane rearrangements lead to changes in localized lipid composition. Our work indirectly supports the conformational-change induced models of BCR activation and contributes to the understanding of the antigen-dependent activation mechanism of BCRs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Segregation of Al and its effect on coercivity in Nd-Fe-B

Doping a small amount of Al can effectively enhance coercivity in Nd-Fe-B magnets. Here we investigated the partitioning behavior of Al and its effect on coercivity in Nd-Fe-B using first principles DFT (density functional theory) calculation and micromagnetic simulation. The calculated substitution energies of Fe by Al are negative at the crystallographic sites of 4c and 8j 2 while they are positive values at the other sites in Nd 2 Fe 14 B (2:14:1), implying a small solubility of Al in 2:14:1. Further, Al prefers to segregate at grain boundary (GB) and stabilize the Nd-Fe-Al phase with a Nd 6 Fe 13 Si-type tetragonal structure (6:13:1). The formation of the antiferromagnetic or weak ferrimagnetic 6:13:1-like phase depletes Fe and reduces the amount of ferromagnetic Nd–Fe type grain boundary phase (GBP), which weakens the inter-grain magnetic interaction. Micromagnetic simulations indicate that the 6:13:1-like GBP increases the pinning field of magnetic domain wall at GB and suppresses the nucleation of reversal magnetic domain on the grain surface of 2:14:1 during demagnetization process. The formation of Al-rich shell on 2:14:1 grain surface can further moderately increase the domain pinning field at GB and the nucleation field of 2:14:1 grain. Developing novel processing method to tailor Al segregation and promote formation of 6:13:1-like phase at GB can be a promising approach to improve coercivity in Nd-Fe-B magnet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Coriolis coupling effects in proton-pickup spectroscopic factors from 12 B

Spectroscopic factors to low-lying negative-parity states in Be 11 extracted from the B 12 ( d , He 3 ) Be 11 proton-removal reaction are interpreted within the rotational model. Earlier predictions of the p -wave proton-removal strengths in the strong-coupling limit of the Nilsson model underestimated the spectroscopic factors to the 3 / 2 1 - and 5 / 2 1 - states and suggested that deviations in the 1 + ground state of the odd-odd B 12 due to Coriolis coupling should be further explored. Furthermore, in this work we use the particle rotor model to take into account these effects and obtain a good description of the level scheme in B 11 , with a moderate K mixing of the proton Nilsson levels [110]1/2 and [101]3/2. This mixing, present in the 1 + bandhead of B 12 , is key to explaining the proton-pickup data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

TESS Observations of the WASP-121 b Phase Curve

We study the red-optical photometry of the ultrahot Jupiter WASP-121 b as observed by the Transiting Exoplanet Survey Satellite (TESS) and model its atmosphere through a radiative transfer simulation. Given its short orbital period of ∼1.275 days, inflated state, and bright host star, WASP-121 b is exceptionally favorable for detailed atmospheric characterization. Toward this purpose, we use allesfitter to characterize its full red-optical phase curve, including the planetary phase modulation and secondary eclipse. We measure the day- and nightside brightness temperatures in the TESS passband as 3012{sub −42}{sup +40} and 2022{sub −602}{sup +254} K, respectively, and do not find a statistically significant phase shift between the brightest and substellar points. This is consistent with inefficient heat recirculation on the planet. We then perform an atmospheric retrieval analysis to infer the dayside atmospheric properties of WASP-121 b, such as its bulk composition, albedo, and heat recirculation. We confirm the temperature inversion in the atmosphere and suggest H{sup −}, TiO, and VO as potential causes of the inversion, absorbing heat at optical wavelengths at low pressures. Future Hubble Space Telescope and James Webb Space Telescope observations of WASP-121 b will benefit from its first full phase curve measured by TESS.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1983

The SIR-B radar on the Shuttle

The Shuttle Imaging Radar-B (SIR-B) will be the third in a series of spaceborne SAR experiments which began with the 1978 launch of Seasat and continued with the 1981 launch of Seasat and continued with the 1981 launch of SIR-A. Like Seasat and SIR-A, SIR-B will operate at L-band and be horizontally polarized. However, SIR-B will allow digitally processed imagery to be acquired at selectable look angles between 15 and 60 deg, thereby permitting for the first time quantitative and analytical studies of the geometric variables associated with a radar image. These geometric variables include look angle and look direction which have never been studied with previous fixed parameter radar systems.

Cimino, J. B.↗
NASA NTRS1984

The far-ultraviolet energy distribution of Sirius B from Voyager 2

Observations of Sirius obtained with the Voyager 2 ultraviolet spectrometer clearly reveal the presence of flux from the white dwarf Sirius B at wavelengths between 950 and 1100 A. These observations are in good agreement with all previous ultraviolet observations of Sirius B, and in particular with the IUE observations of Boehm-Vitense, Dettmann, and Kapranidis. A joint analysis of the Voyager 2 and IUE observations yields a temperature range of 26,000-28,000 K. A reexamination of current ultraviolet, visible, and X-ray observations produces good general agreement, but no single, mutually consistent, temperature for Sirius B. The Voyager 2 observations can be used to place a firm upper limit of 28,000 K on the temperature of Sirius B.

Holberg, J. B.↗
NASA NTRS1994

The Canadian Ozone Watch and UV-B advisory programs

The Ozone Watch, initiated in March, 1992, is a weekly bulletin describing the state of the ozone layer over Canada. The UV-B advisory program, which started in May, 1992, produces daily forecasts of clear-sky UV-B radiation. The forecast procedures use daily ozone measurements from the eight-station monitoring network, the output from the Canadian operational forecast model and a UV-B algorithm based on three years of spectral UV-B measurements with the Brewer spectrophotometer.

Kerr, J. B.↗
NASA NTRS2016

Lucifer's Planet: Photolytic Hazes in the Atmosphere of 51 Eri b

We use a 1D model to address photochemistry and possible haze formation in the irradiated atmosphere of 51 Eri b (2016arXiv160407388Z). The intended focus was to have been on carbon and organic hazes, but sulfur photochemistry turns out to be interesting and possibly more important. The case for organic photochemical hazes is intriguing but falls short of being compelling. If organic hazes form abundantly, they are likeliest to do so if vertical mixing in 51 Eri b is weaker than in Jupiter, and they would be found below the altitudes where methane and water are photolyzed. The more novel result is that photochemistry turns H2S into elemental sulfur, here treated as S8. In the cooler models, S8 is predicted to condense in optically significant clouds of solid sulfur particles, whilst in the warmer models S8 remains a vapor along with several other sulfur allotropes that are both visually striking and potentially observable. For 51 Eri b, the division between models with and without condensed sulfur is at an effective temperature of 700 K, which is within error its actual effective temperature; the local temperature where sulfur condenses is between 280 and 320 K. The sulfur photochemistry we discuss is quite general and ought to be found in a wide variety of worlds over a broad temperature range, both colder and hotter than the 650-750 K range studied here, and we show that products of sulfur photochemistry will be nearly as abundant on planets where the UV irradiation is orders of magnitude weaker than it is on 51 Eri b.

photochemistry↗
NASA NTRS2016

Photolytic Hazes in the Atmosphere of 51 Eri b

We use a 1D model to address photochemistry and possible haze formation in the irradiated warm Jupiter 51 Eridani b. The intended focus was to be carbon, but sulfur photochemistry turns out to be important. The case for organic photochemical hazes is intriguing but falls short of being compelling. If they form, they are likeliest to do so if vertical mixing in 51 Eri b is weaker than in Jupiter, and they would be found below the regions where methane and water are photolyzed. The more novel result is that photochemistry turns H2S into elemental sulfur, here treated as S8. In the cooler models, S8 is predicted to condense in optically thick clouds of solid sulfur particles, whilst in the warmer models S8 remains a vapor along with several other sulfur allotropes that are both visually striking and potentially observable. For 51 Eri b, the division between models with and without condensed sulfur is at an effective temperature of 700 K, which is within error its actual effective temperature; the local temperature where sulfur condenses is between 280 and 320 K. The sulfur photochemistry we have discussed is quite general and ought to be found in a wide variety of worlds over a broad temperature range, both colder and hotter than the 650-750 K range studied here, and we show that products of sulfur photochemistry will be nearly as abundant on planets where the UV irradiation is orders of magnitude weaker than it is on 51 Eri b.

stars: individual(51 Eri b)↗
NASA NTRS2020

Cloud-top pressure retrieval with DSCOVR EPIC oxygen A- and B-band observations

An analytic transfer inverse model for Earth Polychromatic Imaging Camera (EPIC) observations is proposed to retrieve the cloud-top pressure (CTP) with the consideration of in-cloud photon penetration. In this model, an analytic equation was developed to represent the reflection at the top of the atmosphere from above cloud, in cloud, and below cloud. The coefficients of this analytic equation can be derived from a series of EPIC simulations under different atmospheric conditions using a nonlinear regression algorithm. With estimated cloud pressure thickness, the CTP can be retrieved from EPIC observation data by solving the analytic equation. To simulate the EPIC measurements, a program package using the double-k approach was developed. Compared to line-by-line calculation, this approach can calculate high-accuracy results with a 100-fold computation time reduction. During the retrieval processes, two kinds of retrieval results, i.e., baseline CTP and retrieved CTP, are provided. The baseline CTP is derived without considering in-cloud photon penetration, and the retrieved CTP is derived by solving the analytic equation, taking into consideration in-cloud and below-cloud interactions. The retrieved CTPs for the oxygen A and B bands are smaller than their related baseline CTP. At the same time, both baseline CTP and retrieved CTP at the oxygen B band are larger than those at the oxygen A band. Compared to the difference in baseline CTP between the B band and A band, the difference in retrieved CTP between these two bands is generally reduced. Out of around 10 000 cases, in retrieved CTP between the A and B bands we found an average bias of 93 mb with a standard deviation of 81 mb. The cloud layer top pressure from Cloud–Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) measurements is used for validation. Under single-layer cloud situations, the retrieved CTPs for the oxygen A band agree well with the CTPs from CALIPSO, the mean difference of which within 5 mb in the case study. Under multiple-layer cloud situations, the CTPs derived from EPIC measurements may be larger than the CTPs of high-level thin clouds due to the effect of photon penetration.

DSCOVR↗