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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Multimodality in the Search for New Physics in Pulsar Timing Data and the Case of Kination-amplified Gravitational-wave Background from Inflation

We investigate the kination-amplified inflationary gravitational-wave background (GWB) interpretation of the signal recently reported by various pulsar timing array (PTA) experiments. Kination is a post-inflationary phase in the expansion history dominated by the kinetic energy of some scalar field, characterized by a stiff equation of state w = 1. Within the inflationary GWB model, we identify two modes that can fit the current data sets (NANOGrav and EPTA) with equal likelihood: the kination-amplification (KA) mode and the ordinary, no-kination-amplification (no-KA) mode. The multimodality of the likelihood motivates a Bayesian analysis with nested sampling. We analyze the free spectra of current PTA data and mock free spectra constructed with higher signal-to-noise ratios using nested sampling. The analysis of the mock spectrum designed to be consistent with the best fit to the NANOGrav 15 yr (NG15) data successfully reveals the expected bimodal posterior for the first time while excluding the reheating mode that appears in the fit to the current NG15 data, making a case for our correct and comprehensive treatment of potential multimodal posteriors arising from future PTA data sets. The resultant Bayes factor is $\mathcal{B}$ $\equiv$ Z no–KA /Z KA = 2.9 ± 1.9, indicating comparable statistical significance between the two modes. Given the theoretical model-building challenges of producing highly blue-tilted primordial tensor spectra, the KA mode has the advantage of requiring less blue primordial spectra, compared with the no-KA mode. The synergy between future cosmic microwave background polarization, pulsar timing, and laser interferometer measurements of gravitational waves will help resolve the ambiguity implied by the multimodal posterior in PTA-only searches.

Cosmology↗
DOE OSTI2020

Cyclic Prefix Direct Sequence Spread Spectrum Capacity Analysis

Cyclic Prefix Direct Sequence Spread Spectrum (CP-DSSS) is a novel waveform that has the potential to solve 5G objectives such as ultra reliable low latency communication (URLLC) and massive machine Type Communication (mMTC). This paper analyzes the capacity of the CP-DSSS waveform in comparison with Orthogonal Frequency Domain Multiplexing OFDM). CP-DSSS can be optimized to achieve the same capacity as OFDM when optimized by the water-filling algorithm. A significant advantage for CP-DSSS is that this capacity can be achieved with all symbols being transmitted with the same effective rate. As a result, stronger forward error correction codes can be used in a CP-DSSS implementation compared to an OFDM implementation with resource block constraints. In addition, the applicability of CP-DSSS as a waveform for a secondary network operating in the same frequency band as the primary network is discussed.

5G and Beyond Communications↗
DOE OSTI2020

Si-based materials for lithium-ion batteries II. Surface-modified Si/C/polyethylene glycol powder

X-ray photoelectron spectroscopy was used to analyze Si/C/polyethylene glycol powder obtained from Paraclete Energy, Inc. The spectra were obtained using incident monochromatic Al K α radiation at 1486.6 eV (0.834 01 nm). An initial survey spectrum together with O 1s, C 1s, and Si 2p are presented. A final survey spectrum was collected to ascertain the amount of beam-induced damage, which appears to be minimal. Finally, the spectra indicate the principal core level photoelectron and Auger electron signals, with only minor calcium and nitrogen signal, and show the expected silicon-carbon species related to the surface modification process in addition to oxidized carbon and silicon due to atmospheric exposure.

25 ENERGY STORAGE↗
DOE OSTI2020

Si-based materials for lithium-ion batteries III: Surface-modified Si/C/polyvinylidine difluoride powder

X-ray photoelectron spectroscopy was used to analyze Si/C/polyvinylidine difluoride powder obtained from Paraclete Energy Inc. The spectra were obtained using incident monochromatic Al K α radiation at 1486.6 eV (0.834 01 nm). An initial survey spectrum together with F 1s, O 1s, C 1s, and Si 2p are presented. A final survey spectrum was collected to ascertain the amount of beam-induced damage, which appears to be minimal. Finally, the spectra indicate the principal core level photoelectron and Auger electron signals with only minor nitrogen signal and show the expected silicon-carbon and silicon-fluorine species related to the surface modification process in addition to oxidized carbon and silicon due to atmospheric exposure.

25 ENERGY STORAGE↗
DOE OSTI2020

Kraken2 Metagenomic Virus Database

The Database: Kraken2 [1] database built from a classification tree containing over 700k metagenomic viruses from JGI IMG/VR [2]. (1) Wood, D. E., Lu, J., and Langmead, B. (2019). Improved metagenomic analysis with Kraken 2. Genome Biol., 20(1), 1–13. doi: 10.1186/s13059-019-1891-0 (2) Paez-Espino D, Chen I-MA, Palaniappan K, Ratner A, Chu K, Szeto E, et al. IMG/VR: a database of cultured and uncultured DNA Viruses and retroviruses. Nucleic Acids Res. 2017;45:D457-65. For Paper: Title: A k-mer based approach for virus classification in metatranscriptomic and metagenomic samples identifies viral associations in the Populus phytobiome and autism brains Abstract Background Viruses are an underrepresented taxa in the study and identification of microbiome constituents; however, they play an important role in health, microbiome regulation, and transfer of genetic material. Only a few thousand viruses have been isolated, sequenced, and assigned a taxonomy, which further limits the ability to identify and quantify viruses in the microbiome. Additionally, the vast diversity of viruses represents a challenge for classification, not only in constructing a viral taxonomy, but also in identifying similarities between a virus' genotype and its phenotype. However, the diversity of viral sequences can be leveraged to classify their sequences in metagenomic and metatranscriptomic samples. Methods To identify viruses in transcriptomic and genomic samples, we developed a dynamic programming algorithm for creating a classification tree out of 715,672 metagenome viruses. To create the classification tree, we clustered proportional similarity scores generated from the k-mer profiles of each of the metagenome viruses. We then integrated the viral classification tree with the NCBI taxonomy for use with ParaKraken, a metagenomic/transcriptomic classifier. Results To illustrate the breadth of our utility for classifying viruses with ParaKraken, we analyzed data from a plant metagenome study identifying the differences between two Populus genotypes in three different compartments and on a human metatranscriptome study identifying the differences between Autism Spectrum Disorder patients and controls in post mortem brain biopsies. In the Populus study, we identified genotype and compartment specific viral signatures, while in the Autism study we identified a significant increased abundance of eight viral sequences in Autism brain biopsies. Conclusion Viruses represent an important aspect of the microbiome. The ability to classify viruses represents the first step in being able to better understand their role in the microbiome. The viral classification method presented here allows for more complete identification of viral sequences for use in identifying associations between viruses and the host and viruses and other microbiome members. Acknowledgements and Funding This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. This research was also supported by the Plant-Microbe Interfaces Scientific Focus Area in the Genomic Science Program, the Office of Biological and Environmental Research (BER) in the U.S. Department of Energy Office of Science, and by the Department of Energy, Laboratory Directed Research and Development funding (ProjectID 8321), at the Oak Ridge National Laboratory. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the US DOE under contract DE-AC05-00OR22725. This research used resources of the Compute and Data Environment for Science (CADES).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Post-landing major element quantification using SuperCam laser induced breakdown spectroscopy

The SuperCam instrument on the Perseverance Mars 2020 rover uses a pulsed 1064 nm laser to ablate targets at a distance and conduct laser induced breakdown spectroscopy (LIBS) by analyzing the light from the resulting plasma. SuperCam LIBS spectra are preprocessed to remove ambient light, noise, and the continuum signal present in LIBS observations. Prior to quantification, spectra are masked to remove noisier spectrometer regions and spectra are normalized to minimize signal fluctuations and effects of target distance. In some cases, the spectra are also standardized or binned prior to quantification. To determine quantitative elemental compositions of diverse geologic materials at Jezero crater, Mars, we use a suite of 1198 laboratory spectra of 334 well-characterized reference samples. The samples were selected to span a wide range of compositions and include typical silicate rocks, pure minerals (e.g., silicates, sulfates, carbonates, oxides), more unusual compositions (e.g., Mn ore and sodalite), and replicates of the sintered SuperCam calibration targets (SCCTs) onboard the rover. For each major element (SiO 2 , TiO 2 , Al 2 O 3 , FeO T , MgO, CaO, Na 2 O, K 2 O), the database was subdivided into five “folds” with similar distributions of the element of interest. One fold was held out as an independent test set, and the remaining four folds were used to optimize multivariate regression models relating the spectrum to the composition. We considered a variety of models, and selected several for further investigation for each element, based primarily on the root mean squared error of prediction (RMSEP) on the test set, when analyzed at 3 m. In cases with several models of comparable performance at 3 m, we incorporated the SCCT performance at different distances to choose the preferred model. Shortly after landing on Mars and collecting initial spectra of geologic targets, we selected one model per element. Subsequently, with additional data from geologic targets, some models were revised to ensure results that are more consistent with geochemical constraints. The calibration discussed here is a snapshot of an ongoing effort to deliver the most accurate chemical compositions with SuperCam LIBS.

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

Terahertz bound state in the continuum in dielectric membrane metasurfaces

Mie-resonant metasurfaces composed of subwavelength dielectric resonators enable an efficient route for electromagnetic wave manipulation. Among these manipulations, a localized mode with a high-quality factor coexisting with a continuous spectrum of radiating waves termed bound state in the continuum (BIC) can arouse many exotic applications in photonics. Here, we demonstrate the terahertz BIC in a dielectric membrane metasurface and analyze its resonant nature based on Mie-resonant multipoles and vector spherical harmonics. The intrinsic splitting of the resonances under oblique incidence is also explored, in which the conversion of multipole radiation patterns versus the oblique angle will drive the resonances from BIC to leaky modes or vice versa. Both Γ and off-Γ point BICs could be identified as the superposition cancellation of vector spherical harmonics for both p-wave and s-wave. Our research not only provides a novel perspective for exploring the essence of BIC metasurfaces in the terahertz regime, but also points new opportunities for achieving terahertz BIC metasurfaces with ultra-high quality factors.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Observation of structures in the J/ψ+ψ(2S) mass spectrum with the ATLAS detector

A search for resonant structures in the mass spectrum is performed using proton-proton collision data at , corresponding to an integrated luminosity of , recorded by the ATLAS experiment at the LHC. The decay channels of and are analyzed. An excess near 6.9 GeV is observed in both channels with a combined significance of . No significant signal is observed near 7.2 GeV, and an upper limit on its yield relative to is provided. A simultaneous fit with the di- channel is carried out under assumptions regarding the resonance interferences, yielding a ratio of the partial decay widths between the and di- channels of for the resonance near 6.9 GeV.

Aad, G↗
DOE OSTI2025

A Parameter-masked Mock Data Challenge for Beyond-two-point Galaxy Clustering Statistics

The past few years have seen the emergence of a wide array of novel techniques for analyzing high-precision data from upcoming galaxy surveys, which aim to extend the statistical analysis of galaxy clustering data beyond the linear regime and the canonical two-point (2pt) statistics. We test and benchmark some of these new techniques in a community data challenge named “Beyond-2pt,” initiated during the Aspen 2022 Summer Program “Large-Scale Structure Cosmology beyond 2-Point Statistics,” whose first round of results we present here. The challenge data set consists of high-precision mock galaxy catalogs for clustering in real space, in redshift space, and on a light cone. Participants in the challenge have developed end-to-end pipelines to analyze mock catalogs and extract unknown (“masked”) cosmological parameters of the underlying ΛCDM models with their methods. The methods represented are density-split clustering, nearest neighbor statistics, BACCO power spectrum emulator, void statistics, LEFTfield field-level inference using effective field theory (EFT), and joint power spectrum and bispectrum analyses using both EFT and simulation-based inference. In this work, we review the results of the challenge, focusing on problems solved, lessons learned, and future research needed to perfect the emerging beyond-2pt approaches. The unbiased parameter recovery demonstrated in this challenge by multiple statistics and the associated modeling and inference frameworks supports the credibility of cosmology constraints from these methods. The challenge data set is publicly available, and we welcome future submissions from methods that are not yet represented.

Krause, Elisabeth [Univ. of Arizona, Tucson, AZ (U↗
DOE OSTI2023

Dispersive Charge Transfer State Electroluminescence in Organic Solar Cells

Abstract The notion of quasi‐equilibrium is central to most solar cells; however, it has been questioned in organic photovoltaics (OPVs) owing to strong energetic disorder that frustrates efficient relaxation of electrons and holes within their respective density of states (DOS). Here, modulation electroluminescence (EL) spectroscopy is applied to OPVs and it is found that the frequency response of charge transfer (CT) state EL on the high energy side of the spectrum differs from that of the low energy side. This observation confirms that static disorder contributes substantially to the linewidth of the steady‐state EL spectrum and is unambiguous proof that the distribution of CT states formed by electrical injection in the dark is not in quasi‐equilibrium. These results emphasize the need for caution when analyzing OPV cells on the basis of reciprocity models that assume quasi‐equilibrium holds, and highlight a new method to study this unusual aspect of OPV operation.

14 SOLAR ENERGY↗
DOE OSTI2020

Reconnection from a turbulence perspective

The spectral properties associated with laminar, anti-parallel reconnection are examined using a 2.5D kinetic particle in cell simulation. Both the reconnection rate and the energy spectrum exhibit three distinct phases: an initiation phase where the reconnection rate grows, a quasi-steady phase, and a declining phase where both the reconnection rate and the energy spectrum decrease. During the steady phase, the energy spectrum exhibits approximately a double power law behavior, with a slope near −5/3 at wave numbers smaller than the inverse ion inertial length and a slope steeper than −8/3 for larger wave numbers up to the inverse electron inertial length. This behavior is consistent with a Kolmogorov energy cascade and implies that laminar reconnection may fundamentally be an energy cascade process. Consistent with this idea is the fact that the reconnection rate exhibits a rough correlation with the energy spectrum at wave numbers near the inverse ion inertial length. The 2D spectrum is strongly anisotropic with most energy associated with the wave vector direction normal to the current sheet. Reconnection acts to isotropize the energy spectrum, reducing the Shebalin angle from an initial value of 70° to about 48° (nearly isotropic) by the end of the simulation. The distribution of energy over length scales is further analyzed by dividing the domain into spatial subregions and employing structure functions.

Adhikari, S. (ORCID:0000000321607066)↗
DOE OSTI2020

Si-based materials for lithium-ion batteries IV: Surface-modified Si/C/perfluorooctene powder

X-ray photoelectron spectroscopy was used to analyze nano-Si/C/perfluorooctene powder obtained from Paraclete Energy Inc. The spectra were obtained using incident monochromatic Al K α radiation at 1486.6 eV (0.834 01 nm). An initial survey spectrum together with F 1s, O 1s, C 1s, and Si 2p are presented. A final survey spectrum was collected to ascertain the amount of beam-induced damage, which appears to be minimal. Finally, the spectra indicate the principal core level photoelectron and Auger electron signals with only minor nitrogen signal and show the expected silicon-carbon, carbon-fluorine, and silicon-fluorine species related to the surface modification process in addition to oxidized carbon and silicon due to atmospheric exposure.

25 ENERGY STORAGE↗
DOE OSTI2022

Development of Multimodal Few-Shot Analytics for Electron Micrographs

Recent advances in materials data analytics have provided new avenues for determining process-structure-property (PSP) linkages in a variety of materials. Machine learning techniques including few-shot learning have increased the efficiency of classifying microscopy images for the purposes of material characterization. Attempts at creating a multimodal approach can provide further improvements to current models and help extract more salient features from data. In this vein, raw spectrum data was taken to provide an additional modality to our current pyCHIP classifier. Modifications in segmentation also show potential in improving the accuracy of the pyCHIP classifier. Classifier output was analyzed using network graphs and unsupervised clustering algorithms such as spectral clustering to detect better segmentation methods than the current “chipping” approach. We suggest that the chip selection process can be automated in the future using a combination of these techniques to enable high-throughput analyses.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Role of the third dimension in searching for Majorana fermions in α-RuCl 3 via phonons

Understanding phonons in α-RuCl 3 is critical to analyze the controversy around the observation of the half-integer thermal quantum Hall effect. While many studies have focused on the magnetic excitations in α-RuCl 3 , its vibrational excitation spectrum has remained relatively unexplored. We investigate the phonon structure of α-RuCl 3 via inelastic neutron-scattering experiments and density-functional-theory calculations. Our results show excellent agreement between experiment and first-principles calculations. After validating our theoretical model, we extrapolate the low-energy phonon properties. We find that the phonons in α-RuCl 3 that either propagate or vibrate in the out-of-plane direction have significantly reduced velocities and therefore have the potential to dominate the observability of the elusive half-integer plateaus in the thermal Hall conductance. In addition, we use low-energy interlayer phonons to resolve the low-temperature stacking structure of our large crystal of α-RuCl 3 , which we find to be consistent with that of the R$\bar{3}$ space group, in agreement with neutron diffraction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

PyXAS – an open-source package for 2D X-ray near-edge spectroscopy analysis

In the synchrotron X-ray community, X-ray absorption near-edge spectroscopy (XANES) is a widely used technique to probe the local coordination environment and the oxidation states of specific elements within a sample. Although this technique is usually applied to bulk samples, the advent of new synchrotron sources has enabled spatially resolved versions of this technique (2D XANES). This development has been extremely powerful for the study of heterogeneous systems, which is the case for nearly all real applications. However, associated with the development of 2D XANES comes the challenge of analyzing very large volumes of data. As an example, a single 2D XANES measurement at a synchrotron can easily produce ~106 spatially resolved XANES spectra. Conventional manual analysis of an individual XANES spectrum is no longer feasible. Here, a software package is described that has been developed for high-throughput 2D XANES analysis. A detailed description of the software as well as example applications are provided.

25 ENERGY STORAGE↗
DOE OSTI2021

Precise Timing Based on Pulsar Observation for Grid Synchronization

While Global Positioning System signals are widely used as the synchronized timing Sources for wide-area measurement systems for power grid monitoring and control, they are vulnerable to failures and malicious attacks. To address this Problem, an alternative kind of timing sources, the millisecond pulsars, were proposed to serve the power grid as they are more precise and physically indestructible. Millisecond pulsars are a kind of neutron stars that emit radio pulse signals that have extremely stable periods of milliseconds. However, the observed pulse Signals from pulsars cannot be directly used for timing because of their low signal-to-noise ratio and the dispersion effects of interstellar medium. In this paper, the precise timing method based on pulsar observation data is proposed to interpret the pulsar observation data and therefrom to generate precise timing signal for the power grid synchronization. In our proposed method,. incoherent de-dispersion is used on the observation data to mitigate the effect of interstellar medium. dispersion. Then spectrum analysis and segment folding are used to precisely estimate the local pulsar period. Finally the standard pulse per second signal is generated from. the estimated pulsar period and its precision. is analyzed. Experiments with the observation data of the pulsar based timing signal can be more accurate compared to GPS timing signals.

Luo, Xiqian↗
DOE OSTI2020

Emission-line Data Cubes of the HH 32 Stellar Jet

We analyze data cubes of over 60 emission lines in the HH 32 stellar jet acquired with the Keck Cosmic Web Imager (KCWI). The data cover the less explored blue portion of the spectrum between 3586 and 6351 Å and have both high spectral (R ∼ 10,000) and spatial (≲1″) resolution. The study includes all three major ionization states of oxygen, three Balmer lines, multiple lines of Fe ii and Fe iii, and the first data cubes ever acquired for important unblended diagnostic lines such as He ii λ4686, Ca i λ3933, and Mg i] λ4571. The data cubes generally sort according to excitation and have a relatively continuous progression from the highest-excitation ions (He ii, O iii) through the intermediate-excitation ions (O i and H i) to the lowest-excitation ions (Ca ii and Mg i). Merging the KCWI cubes with Hubble Space Telescope images leads to several new insights about the flow, including evidence for bow shocks, partial bow shocks, spur shocks, Mach disks, jet deflection shocks, a wiggling jet, and potential shock precursors. The most surprising result is that one of the velocity components of Fe ii in the Mach disk suddenly increases in flux relative to other lines by a factor of two, implying that the Mach disk vaporizes dust in the jet. Hence, jets must accelerate or entrain dust to speeds of over 300 km s{sup −1} without destroying the grains.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Confinement transition to gravitational waves in the one-flavor $SU(4)$ Hyper Stealth Dark Matter theory

The thermodynamics of the $SU(4)$ gauge theory with a single flavor of fundamental quarks is analyzed on the lattice with dynamical fermion simulations, which is the low-energy sector of a realistic, strongly-interacting dark matter model -- the Hyper Stealth Dark Matter. The gravitational wave spectrum from the first-order confinement transition in the early universe is further calculated, where the effect of the dark sea quarks, which decrease the interface tension in the effective potential of the Polyakov loop, is shown numerically to lower the gravitational wave amplitude.

Ayyar, V. [Boston U.]↗