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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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Modified Eddington-inspired-Born-Infeld gravity with a trace term

In this study, a modified Eddington-inspired-Born-Infeld (EiBI) theory with a pure trace term g μν R being added to the determinantal action is analysed from a cosmological point of view. It corresponds to the most general action constructed from a rank two tensor that contains up to first order terms in curvature. This term can equally be seen as a conformal factor multiplying the metric g μν . This very interesting type of amendment has not been considered within the Palatini formalism despite the large amount of works on the Born-Infeld-inspired theory of gravity. This model can provide smooth bouncing solutions which were not allowed in the EiBI model for the same EiBI coupling. Most interestingly, for a radiation filled universe there are some regions of the parameter space that can naturally lead to a de Sitter inflationary stage without the need of any exotic matter field. Finally, in this model we discover a new type of cosmic “quasi-sudden” singularity, where the cosmic time derivative of the Hubble rate becomes very large but finite at a finite cosmic time.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

SALT3: An Improved Type Ia Supernova Model for Measuring Cosmic Distances

Abstract A spectral-energy distribution (SED) model for Type Ia supernovae (SNe Ia) is a critical tool for measuring precise and accurate distances across a large redshift range and constraining cosmological parameters. We present an improved model framework, SALT3, which has several advantages over current models—including the leading SALT2 model (SALT2.4). While SALT3 has a similar philosophy, it differs from SALT2 by having improved estimation of uncertainties, better separation of color and light-curve stretch, and a publicly available training code. We present the application of our training method on a cross-calibrated compilation of 1083 SNe with 1207 spectra. Our compilation is 2.5× larger than the SALT2 training sample and has greatly reduced calibration uncertainties. The resulting trained SALT3.K21 model has an extended wavelength range 2000–11,000 Å (1800 Å redder) and reduced uncertainties compared to SALT2, enabling accurate use of low- z I and iz photometric bands. Including these previously discarded bands, SALT3.K21 reduces the Hubble scatter of the low- z Foundation and CfA3 samples by 15% and 10%, respectively. To check for potential systematic uncertainties, we compare distances of low (0.01 < z < 0.2) and high (0.4 < z < 0.6) redshift SNe in the training compilation, finding an insignificant 3 ± 14 mmag shift between SALT2.4 and SALT3.K21. While the SALT3.K21 model was trained on optical data, our method can be used to build a model for rest-frame NIR samples from the Roman Space Telescope. Our open-source training code, public training data, model, and documentation are available at https://saltshaker.readthedocs.io/en/latest/ , and the model is integrated into the sncosmo and SNANA software packages.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Standardized Luminosity of the Tip of the Red Giant Branch Utilizing Multiple Fields in NGC 4258 and the CATs Algorithm

Abstract The tip of the red giant branch provides a luminous standard candle for calibrating distance ladders that reach Type Ia supernova (SN Ia) hosts. However, recent work reveals that tip measurements vary at the ∼0.1 mag level for different stellar populations and locations within a host, which may lead to inconsistencies along the distance ladder. We pursue a calibration of the tip using 11 Hubble Space Telescope fields around the maser host, NGC 4258, that is consistent with SN Ia hosts by standardizing tip measurements via their contrast ratios. We find F814W-band tips that exhibit a full 0.3 mag range and 0.1 mag dispersion. We do not find any correlation between Hicolumn density and the apparent tip to 0.04 ± 0.03 mag/cm −2 . We search for a tip–contrast relation (TCR) and measure the TCR within the fields of NGC 4258 of −0.015 ± 0.008 mag/R, whereRis the contrast ratio. This value is consistent with the TCR originally discovered in the GHOSTS sample of −0.023 ± 0.005 mag/R. Combining these measurements, we find a global TCR of −0.021 ± 0.004 mag/Rand a calibration of M I TRGB = − 4.025 ± 0.035 − ( R − 4 ) × 0.021 mag. We also use stellar models to simulate single age and metallicity stellar populations with [Fe/H] from −2.0 to −0.7 and ages from 3 to 12 Gyr and reconstruct the global TCR found here to a factor of ∼2. This work is combined in a companion analysis with tip measurements of nearby SN Ia hosts to measureH 0 .

Astronomy & Astrophysics↗
DOE OSTI2023

Airborne flux measurements of ammonia over the southern Great Plains using chemical ionization mass spectrometry

Abstract. Ammonia (NH3) is an abundant trace gas in the atmosphere and an important player in atmospheric chemistry, aerosol formation and the atmosphere–surface exchange of nitrogen. The accurate determination of NH3 emission rates remains a challenge, partly due to the propensity of NH3 to interact with instrument surfaces, leading to high detection limits and slow response times. In this paper, we present a new method for quantifying ambient NH3, using chemical ionization mass spectrometry (CIMS) with deuterated benzene cations as reagents. The setup aimed at limiting sample–surface interactions and achieved a 1σ precision of 10–20 pptv and an immediate 1/e response rate of < 0.4 s, which compares favorably to the existing state of the art. The sensitivity exhibited an inverse humidity dependence, in particular in relatively dry conditions. Background of up to 10 % of the total signal required consideration as well, as it responded on the order of a few minutes. To showcase the method's capabilities, we quantified NH3 mixing ratios from measurements obtained during deployment on a Gulfstream I aircraft during the HI-SCALE (Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecosystems) field campaign in rural Oklahoma during May 2016. Typical mixing ratios were 1–10 parts per billion by volume (ppbv) for the boundary layer and 0.1–1 ppbv in the lower free troposphere. Sharp plumes of up to tens of ppbv of NH3 were encountered as well. We identified two of their sources as a large fertilizer plant and a cattle farm, and our mixing ratio measurements yielded upper bounds of 350 ± 50 and 0.6 kg NH3 h−1 for their respective momentary source rates. The fast response of the CIMS also allowed us to derive vertical NH3 fluxes within the turbulent boundary layer via eddy covariance, for which we chiefly used the continuous wavelet transform technique. As expected for a region dominated by agriculture, we observed predominantly upward fluxes, implying net NH3 emissions from the surface. The corresponding analysis focused on the most suitable flight, which contained two straight-and-level legs at ∼ 300 m above ground. We derived NH3 fluxes between 1 and 11 mol km−2 h−1 for these legs, at an effective spatial resolution of 1–2 km. The analysis demonstrated how flux measurements benefit from suitably arranged flight tracks with sufficiently long straight-and-level legs, and it explores the detrimental effect of measurement discontinuities. Following flux footprint estimations, comparison to the NH3 area emissions inventory provided by the U.S. Environmental Protection Agency indicated overall agreement but also the absence of some sources, for instance the identified cattle farm. Our study concludes that high-precision CIMS measurements are a powerful tool for in situ measurements of ambient NH3 mixing ratios, and even allow for the airborne mapping of the air–surface exchange of NH3.

58 GEOSCIENCES↗
DOE OSTI2020

Dendrite Suppression by a Polymer Coating: A Coarse‐Grained Molecular Study

Abstract A major hurdle to the successful deployment of high‐energy‐density lithium metal based batteries is dendrite growth during battery cycling, which raises safety and cycle life concerns. Coating the Li metal anode with a soft polymer layer has been previously shown to be effective in suppressing dendrite growth, leading to uniform lithium deposition even at high current densities. A 3D coarse‐grained molecular model to study the mechanism of dendrite suppression is presented. It is found that the most effective coatings delay or even prevent dendrites from penetrating the polymer layer during deposition. The optimal deposition can be achieved by jointly tuning the polymer stiffness and relaxation time. Higher polymer dielectric permittivity and coating thickness are also effective, but the deposition rate and, therefore, the charging current density is reduced. These findings provide the basis for rational design of soft polymer coatings for stable lithium deposition.

Kong, Xian↗
DOE OSTI2018

A Two-Electron Storage Nonaqueous Organic Redox Flow Battery

We demonstrated a two-electron nonaqueous redox flow battery based on structurally tailored organic phenothiazine catholyte and anthraquinone anolyte materials, with doubled charge storage capacities and two voltage plateaus observed in electrochemical cell tests.

Huang, Jinhua↗
DOE OSTI2023

Calibration of the Solid‐State Nuclear Magnetic Resonance Search for Axion‐Like Dark Matter

Abstract Calibration of nuclear‐magnetic‐resonance‐based searches for axion‐like dark matter can be performed by free induction decay (FID) measurements. This manu‐ script describes FID experiments on several solid materials, motivated by the Cosmic Axion Spin Precession Experiment (CASPEr) program. Experiments with 207 Pb nuclear spins in ferroelectrics, lead magnesium niobate‐lead titanate (PbMg 1/3 Nb 2/3 O 3 ) (PbTiO 3 ) 1/3 (PMN‐PT) and lead zirconium titante PbZr 0.52 Ti 0.48 O 3 (PZT) are directly relevant to the CASPEr‐electric search for the electric dipole moment interaction of axion‐like dark matter. Experiments with 31 P nuclear spins in gadolinium‐doped hydroxypyromorphite Pb 4.95 Gd 0.05 (PO 4 ) 3 OH (HPM:Gd) are used for apparatus calibration. The measurements characterized the nuclear spin ensemble coherence time and the magnetic resonance detection sensitivity for these samples. Calibration is performed using small tip‐angle pulses.

Winter, Andrew J.↗
DOE OSTI2014

Lack of anti-tumor activity with the β-catenin expression inhibitor EZN-3892 in the C57BL/6J Min/+ model of intestinal carcinogenesis

Highlights: • Wnt/β-catenin signaling is aberrantly activated in most colorectal cancers. • Locked nucleic acid (LNA)-based antisense is a novel tool for cancer therapy. • β-Catenin inhibition was observed in mature intestinal tissue of LNA-treated mice. • Further investigation of Wnt/β-catenin targeted therapies is warranted. - Abstract: Background: Previously, we showed that short-term inhibition of β-catenin expression and reversal of aberrant β-catenin subcellular localization by the selective COX-2 inhibitor celecoxib is associated with adenoma regression in the C57BL/6J Min/+ mouse. Conversly, long-term administration resulted in tumor resistance, leading us to investigate alternative methods for selective β-catenin chemoprevention. In this study, we hypothesized that disruption of β-catenin expression by EZN-3892, a selective locked nucleic acid (LNA)-based β-catenin inhibitor, would counteract the tumorigenic effect of Apc loss in Min/+ adenomas while preserving normal intestinal function. Materials and methods: C57BL/6J Apc{sup +/+} wild-type (WT) and Min/+ mice were treated with the maximum tolerated dose (MTD) of EZN-3892 (30 mg/kg). Drug effect on tumor numbers, β-catenin protein expression, and nuclear β-catenin localization were determined. Results: Although the tumor phenotype and β-catenin nuclear localization in Min/+ mice did not change following drug administration, we observed a decrease in β-catenin expression levels in the mature intestinal tissue of treated Min/+ and WT mice, providing proof of principle regarding successful delivery of the LNA-based antisense vehicle. Higher doses of EZN-3892 resulted in fatal outcomes in Min/+ mice, likely due to β-catenin ablation in the intestinal tissue and loss of function. Conclusions: Our data support the critical role of Wnt/β-catenin signaling in maintaining intestinal homeostasis and highlight the challenges of effective drug delivery to target disease without permanent toxicity to normal cellular function.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Pressure-induced phase transition on K{sub 2}MoO{sub 4}: A Raman scattering study and ab initio calculations

This work reports high pressure Raman scattering results on dipotassium molybdate (K{sub 2}MoO{sub 4}). The effects of hydrostatic pressure on the vibrational properties of K{sub 2}MoO{sub 4} has been investigated in the pressure range from 0.5 to 7.3 GPa. This study also indicates that K{sub 2}MoO{sub 4} crystals exhibit a pressure-induced first-order phase transition at about 2.2 GPa from monoclinic to an unknown symmetry. Calculaions based on density-functional theory (DFT) unveiled the structural changes undergone by the K{sub 2}MoO{sub 4} system under hydrostatic pressure. The phase transition is connected with the increase of the polyhedral KO{sub 6} distortion due to an increased anionic interaction as volume decrease, therefore leading to tiltings and/or rotations of the MoO{sub 4} tetrahedra. The consequence of such tiltings and/or rotations of the MoO{sub 4} tetrahedra is to increase the disorder of these units. The high-pressure phase transforms directly into the ambient-pressure phase as pressure is released. - Graphical Abstract: Dipotassium molybdate (K{sub 2}MoO{sub 4}) belongs to the class of single molybdates and tungstates with a general composition of the A{sub 2}MO{sub 4} (A=Li, Na, K, Rb, Cs; {Mu}=Mo, W). At room temperature and ambient pressure, the crystal of K{sub 2}MoO{sub 4} is monoclinic and it belongs to the C2/m (C{sub 2h}{sup 3}) space group. This material is attracting a considerable attention due to its interesting structural and thermodynamic properties. This work reports a high pressure study on this system. Highlights: Black-Right-Pointing-Pointer We reports high pressure Raman scattering results on dipotassium molybdate. Black-Right-Pointing-Pointer Our study indicates a pressure-induced first-order phase transition at around 2.16 GPa. Black-Right-Pointing-Pointer DFT calculations indicate that phase transition is connected with the increase of KO{sub 6} distortion. Black-Right-Pointing-Pointer Tiltings and/or rotations of the MoO{sub 4} tetrahedra are related to increased disorder.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Study of morphology and magnetic properties of the HoNi{sub 3} crystalline and ball-milled compound

The morphology and magnetic properties of the HoNi{sub 3} crystalline and ball-milled intermetallic compounds are presented. The polycrystalline HoNi{sub 3} bulk compound crystallizes in the rhombohedral PuNi{sub 3} — type of crystal structure and indicates ferrimagnetic arrangement with the Curie temperature of T{sub C} = 57 ± 2 K, the helimagnetic temperature T{sub h} = 23 ± 2 K with the total saturation magnetic moment of 6.84 μ{sub B}/f.u. at 2 K. The use of the ball-milling method leads to the formation of HoNi{sub 3} nanoflakes with typical thickness of less than 100 nm prone to agglomeration upon milling. The increase of grinding duration leads to the reduction in crystallite size, which was confirmed by various complementary microscopical and diffraction studies. Moreover, the increase in milling duration results in the emergence of the relatively small coercivity (H{sub C}), remanence (M{sub r}) and a variation of the saturation magnetization (M{sub S}). - Graphical abstract: Display Omitted - Highlights: • The ball-milling method exhibits significant potential for producing RT{sub 3} nanopowders. • The AFM method was used for the first time in analysis of R–T nanoflakes morphology. • HoNi{sub 3} compound forms polycrystalline and textured nanoflakes evolving upon milling. • The decrease in crystallite size via grinding is confirmed by XRD, TEM and AFM. • The magnetic parameters were sensitive to the extension of pulverization b.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Dislocation arrangements within slip bands during fatigue cracking

Highlights: • Dislocation cells form near early slip bands fatigue cracks in wavy-slip materials. • Lattice rotates severely and grain boundaries form between neighboring cells. • The walls of dislocation cells are preferential sites for fatigue cracking. - Abstract: Microstructures and dislocations associated with the slip band (SB) fatigue cracks were investigated in Cu single crystal and bicrystal. It is found that there are high strain localizations with abundant dislocation cells around the cracked SBs. Due to the high local strain and slip irreversibility, the lattice rotates severely leading to large misorientation and hence low- or high- angle grain boundaries could form between the neighboring cells. Moreover, the dislocation walls can serve as preferential sites for nucleation and propagation of fatigue cracks with high density of dislocations, vacancies and high strain incompatibility.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Tracking Seasonal and Interannual Variability in Photosynthetic Downregulation in Response to Water Stress at a Temperate Deciduous Forest

Abstract The understanding and modeling of photosynthetic dynamics affected by climate variability can be highly uncertain. In this paper, we examined a well‐characterized eddy covariance site in a drought‐prone temperate deciduous broadleaf forest combining tower measurements and satellite observations. We find that an increase in spring temperature usually leads to enhanced spring gross primary production (GPP), but a GPP reduction in late growing season due to water limitation. We evaluated how well a coupled fluorescence‐photosynthesis model (SCOPE) and satellite data sets track the interannual and seasonal variations of tower GPP from 2007 to 2016. In SCOPE, a simple stress factor scaling of Vcmax as a linear function of observed predawn leaf water potential ( ψ pd ) shows a good agreement between modeled and measured interannual variations in both GPP and solar‐induced chlorophyll fluorescence (SIF) from the Global Ozone Monitoring Experiment‐2 (GOME‐2). The modeled and satellite‐observed changes in SIF yield are ~30% smaller than corresponding changes in light use efficiency (LUE) under severe stress, for which a common linear SIF to GPP scaling would underestimate the stress reduction in GPP. Overall, GOME‐2 SIF tracks interannual tower GPP variations better than satellite vegetations indices (VIs) representing canopy “greenness.” However, it is still challenging to attribute observed SIF variations unequivocally to greenness or physiological changes due to large GOME‐2 footprint. Higher‐resolution SIF data sets (e.g., TROPOMI) already show the potential to well capture the downregulation of late‐season GPP and could pave the way to better disentangle canopy structural and physiological changes in the future.

He, Liyin↗
DOE OSTI2024

How Might the May 2015 Flood in the U.S. Southern Great Plains Induced by Clustered MCSs Unfold in the Future?

Abstract The historic 22–26 May 2015 flood event in Texas and Oklahoma was caused by anomalous clustered mesoscale convective systems (MCSs) that produced record‐breaking rainfall and $3 billion of damage in the region. A month‐long regional convection‐permitting simulation is conducted to reconstruct multiple clustered MCSs that lead to this flood event. We further use the pseudo global warming approach to examine how a similar event may unfold in a warmer climate and the driving physical factors for the changes. Tracking of MCSs in observations and simulations shows that the historical simulation reproduces the salient characteristics of the observed MCSs. In a warmer climate under a high‐emission (SSP5‐8.5) scenario, the Southern Great Plains is projected to experience a near surface warming of 4–6 K, accompanied by enhanced moisture transport by the strengthened Great Plains low‐level jet. A warmer and moister lower troposphere leads to 36%–59% larger convective available potential energy, supporting wider and more intense convective updrafts and rainfall production. Consistently, MCSs have wider convective areas and stronger rainfall intensities, producing 50% larger rain volumes during the mature stage. Extreme (99.5%) MCS rainfall frequency and amount will increase by threefold. However, MCS stratiform rain area decreases as a result of elevated stratiform cloud bases that lead to stronger sublimation and evaporation of precipitation in response to warming, resulting in reduced weak‐to‐moderate surface precipitation. Results suggest that global warming greatly increases precipitation intensity of clustered MCS events under strong synoptic influence, with much higher potential to produce serious floods without additional climate adaptation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody

Abstract Immunoglobulin G (IgG) antibodies contain a complex N -glycan embedded in the hydrophobic pocket between its heavy chain protomers. This glycan contributes to the structural organization of the Fc domain and determines its specificity for Fcγ receptors, thereby dictating distinct cellular responses. The variable construction of this glycan structure leads to highly-related, but non-equivalent glycoproteins known as glycoforms. We previously reported synthetic nanobodies that distinguish IgG glycoforms. Here, we present the structure of one such nanobody, X0, in complex with the Fc fragment of afucosylated IgG1. Upon binding, the elongated CDR3 loop of X0 undergoes a conformational shift to access the buried N -glycan and acts as a ‘glycan sensor’, forming hydrogen bonds with the afucosylated IgG N -glycan that would otherwise be sterically hindered by the presence of a core fucose residue. Based on this structure, we designed X0 fusion constructs that disrupt pathogenic afucosylated IgG1-FcγRIIIa interactions and rescue mice in a model of dengue virus infection.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Prediction on X-ray output of free electron laser based on artificial neural networks

Abstract Knowledge of x-ray free electron lasers’ (XFELs) pulse characteristics delivered to a sample is crucial for ensuring high-quality x-rays for scientific experiments. XFELs’ self-amplified spontaneous emission process causes spatial and spectral variations in x-ray pulses entering a sample, which leads to measurement uncertainties for experiments relying on multiple XFEL pulses. Accurate in-situ measurements of x-ray wavefront and energy spectrum incident upon a sample poses challenges. Here we address this by developing a virtual diagnostics framework using an artificial neural network (ANN) to predict x-ray photon beam properties from electron beam properties. We recorded XFEL electron parameters while adjusting the accelerator’s configurations and measured the resulting x-ray wavefront and energy spectrum shot-to-shot. Training the ANN with this data enables effective prediction of single-shot or average x-ray beam output based on XFEL undulator and electron parameters. This demonstrates the potential of utilizing ANNs for virtual diagnostics linking XFEL electron and photon beam properties.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Ion trap long-range XY model for quantum state transfer and optimal spatial search

Abstract Linear ion trap chains are a promising platform for quantum computation and simulation. The XY model with long-range interactions can be implemented with a single side-band Mølmer–Sørensen scheme, giving interactions that decay as 1 / r α , where α parameterises the interaction range. Lower α leads to longer range interactions, allowing faster long-range gate operations for quantum computing. However, decreasing α causes an increased generation of coherent phonons and appears to dephase the effective XY interaction model. We characterise and show how to correct for this effect completely, allowing lower α interactions to be coherently implemented. Ion trap chains are thus shown to be a viable platform for spatial quantum search in optimal O ( N ) time, for N ions. Finally, we introduce a O ( N ) quantum state transfer protocol, with a qubit encoding that maintains a high fidelity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Prediction of Substrate Distortion in Powder DED Using Finite Element Model

Abstract Leveraging the capabilities of both additive and subtractive manufacturing to repair tooling and other high value items can result in significant cost and time saving opportunities. However, when dimensional accuracy of the repaired component must be held within a specified tolerance, distortion of the component induced during repair can lead to an out of specification final component. This work presents simulation of a novel method to mitigate part distortion using sacrificial support structures. A blown powder directed energy deposition system was utilized for deposition of sacrificial support structures and clad surface depositions. Sacrificial support structures were deposited on the underside of the substrate with varying geometries prior to clad surface depositions. A finite element model was developed and verified using experimental results. The simulation and experimental control results were found to match within 6%. It has been shown that simulation can be used to predict effects of sacrificial support structures on substrate distortion in a blown powder directed energy deposition process.

Burl, Alan G.↗