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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Multi-layer hydrostatic equilibrium of planets and synchronous moons: theory and application to Ceres and to solar system moons

The hydrostatic equilibrium of multi-layer bodies lacks a satisfactory theoretical treatment despite its wide range of applicability. Here we show that by using the exact analytical potential of homogeneous ellipsoids we can obtain recursive analytical solutions and an exact numerical method for the hydrostatic equilibrium shape problem of multi-layer planets and synchronous moons. The recursive solutions rely on the series expansion of the potential in terms of the polar and equatorial shape eccentricities, while the numerical method uses the exact potential expression. These solutions can be used to infer the interior structure of planets and synchronous moons from their observed shape, rotation, and gravity. When applied to the dwarf planet Ceres, we show that it is most likely a differentiated body with an icy crust of equatorial thickness 30-90 km and a rocky core of density 2.4-3.1 g cm{sup –3}. For synchronous moons, we show that the J {sub 2}/C {sub 22} ≅ 10/3 and the (b – c)/(a – c) ≅ 1/4 ratios have significant corrections of order Ω{sup 2}/(πGρ), with important implications for how their gravitational coefficients are determined from fly-by radio science data and for how we assess their hydrostatic equilibrium state.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

LOCALIZATION OF SHORT DURATION GRAVITATIONAL-WAVE TRANSIENTS WITH THE EARLY ADVANCED LIGO AND VIRGO DETECTORS

The Laser Interferometer Gravitational wave Observatory (LIGO) and Virgo advanced ground-based gravitational-wave detectors will begin collecting science data in 2015. With first detections expected to follow, it is important to quantify how well generic gravitational-wave transients can be localized on the sky. This is crucial for correctly identifying electromagnetic counterparts as well as understanding gravitational-wave physics and source populations. We present a study of sky localization capabilities for two search and parameter estimation algorithms: coherent WaveBurst, a constrained likelihood algorithm operating in close to real-time, and LALInferenceBurst, a Markov chain Monte Carlo parameter estimation algorithm developed to recover generic transient signals with latency of a few hours. Furthermore, we focus on the first few years of the advanced detector era, when we expect to only have two (2015) and later three (2016) operational detectors, all below design sensitivity. These detector configurations can produce significantly different sky localizations, which we quantify in detail. We observe a clear improvement in localization of the average detected signal when progressing from two-detector to three-detector networks, as expected. Although localization depends on the waveform morphology, approximately 50% of detected signals would be imaged after observing 100-200 deg{sup 2} in 2015 and 60-110 deg{sup 2} in 2016, although knowledge of the waveform can reduce this to as little as 22 deg{sup 2}. This is the first comprehensive study on sky localization capabilities for generic transients of the early network of advanced LIGO and Virgo detectors, including the early LIGO-only two-detector configuration.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

First results from the CUORE experiment

CUORE (Cryogenic Underground Observatory for Rare Events) is a ton-scale experiment aiming to the search of neutrino-less double beta decay in 130 Te with a projected sensitivity on the Majorana effective mass close to the inverted hierarchy region. The CUORE detector consists of a segmented array of 988 TeO 2 bolometers, organized in 19 towers and operated at a temperature of about 10 mK thanks to a custom cryogenic system which, besides the uncommon scale, observes several constraints from the radio-purity of the materials to the mechanical decoupling of the cooling systems. The successful commissioning of the CUORE cryogenic system has been completed early in 2016 and represents an outstanding achievement by itself. The installation of the detector proceeded along 2016 followed by the cooldown to base temperature at the beginning of 2017. The CUORE detector is now operational and has been taking science data since Spring 2017. With the first ~3 weeks of collected data, we present here the most stringent constraint on the 130 Te half-live for the neutrino-less double beta decay.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

TESTING DIAGNOSTICS OF NUCLEAR ACTIVITY AND STAR FORMATION IN GALAXIES AT z > 1

We present some of the first science data with the new Keck/MOSFIRE instrument to test the effectiveness of different AGN/SF diagnostics at z {approx} 1.5. MOSFIRE spectra were obtained in three H-band multi-slit masks in the GOODS-S field, resulting in 2 hr exposures of 36 emission-line galaxies. We compare X-ray data with the traditional emission-line ratio diagnostics and the alternative mass-excitation and color-excitation diagrams, combining new MOSFIRE infrared data with previous HST/WFC3 infrared spectra (from the 3D-HST survey) and multiwavelength photometry. We demonstrate that a high [O III]/H{beta} ratio is insufficient as an active galactic nucleus (AGN) indicator at z > 1. For the four X-ray-detected galaxies, the classic diagnostics ([O III]/H{beta} versus [N II]/H{alpha} and [S II]/H{alpha}) remain consistent with X-ray AGN/SF classification. The X-ray data also suggest that 'composite' galaxies (with intermediate AGN/SF classification) host bona fide AGNs. Nearly {approx}2/3 of the z {approx} 1.5 emission-line galaxies have nuclear activity detected by either X-rays or the classic diagnostics. Compared to the X-ray and line ratio classifications, the mass-excitation method remains effective at z > 1, but we show that the color-excitation method requires a new calibration to successfully identify AGNs at these redshifts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

2022 roadmap on low temperature electrochemical CO 2 reduction

Abstract Electrochemical CO 2 reduction (CO 2 R) is an attractive option for storing renewable electricity and for the sustainable production of valuable chemicals and fuels. In this roadmap, we review recent progress in fundamental understanding, catalyst development, and in engineering and scale-up. We discuss the outstanding challenges towards commercialization of electrochemical CO 2 R technology: energy efficiencies, selectivities, low current densities, and stability. We highlight the opportunities in establishing rigorous standards for benchmarking performance, advances in in operando characterization, the discovery of new materials towards high value products, the investigation of phenomena across multiple-length scales and the application of data science towards doing so. We hope that this collective perspective sparks new research activities that ultimately bring us a step closer towards establishing a low- or zero-emission carbon cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Deep learning symmetries and their Lie groups, algebras, and subalgebras from first principles

Abstract We design a deep-learning algorithm for the discovery and identification of the continuous group of symmetries present in a labeled dataset. We use fully connected neural networks to model the symmetry transformations and the corresponding generators. The constructed loss functions ensure that the applied transformations are symmetries and the corresponding set of generators forms a closed (sub)algebra. Our procedure is validated with several examples illustrating different types of conserved quantities preserved by symmetry. In the process of deriving the full set of symmetries, we analyze the complete subgroup structure of the rotation groups SO (2), SO (3), and SO (4), and of the Lorentz group S O ( 1 , 3 ) . Other examples include squeeze mapping, piecewise discontinuous labels, and SO (10), demonstrating that our method is completely general, with many possible applications in physics and data science. Our study also opens the door for using a machine learning approach in the mathematical study of Lie groups and their properties.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Bridging Place-Based Astrobiology Education with Genomics, Including Descriptions of Three Novel Bacterial Species Isolated from Mars Analog Sites of Cultural Relevance

Democratizing genomic data science, including bioinformatics, can diversify the STEM workforce and may, in turn, bring new perspectives into the space sciences. In this respect, the development of education and research programs that bridge genome science with “place” and world-views specific to a given region are valuable for Indigenous students and educators. Through a multi-institutional collaboration, we developed an ongoing education program and model that includes Illumina and Oxford Nanopore sequencing, free bioinformatic platforms, and teacher training workshops to address our research and education goals through a place-based science education lens. High school students and researchers cultivated, sequenced, assembled, and annotated the genomes of 13 bacteria from Mars analog sites with cultural relevance, 10 of which were novel species. Students, teachers, and community members assisted with the discovery of new, potentially chemolithotrophic bacteria relevant to astrobiology. This joint education-research program also led to the discovery of species from Mars analog sites capable of producing N-acyl homoserine lactones, which are quorum-sensing molecules used in bacterial communication. Whole genome sequencing was completed in high school classrooms, and connected students to funded space research, increased research output, and provided culturally relevant, place-based science education, with participants naming three novel species described here. Students at St. Andrew's School (Honolulu, Hawai‘i) proposed the name Bradyrhizobium prioritasuperba for the type strain, BL16A T , of the new species (DSM 112479 T = NCTC 14602 T ). The nonprofit organization Kauluakalana proposed the name Brenneria ulupoensis for the type strain, K61 T , of the new species (DSM 116657 T = LMG = 33184 T ), and Hawai‘i Baptist Academy students proposed the name Paraflavitalea speifideiaquila for the type strain, BL16E T , of the new species (DSM 112478 T = NCTC 14603 T ).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Careers at National Laboratories

It’s common for math majors and professors to be aware of possible careers outside of teaching, especially jobs like data science, finance, actuarial science, and some government agencies. But from my experience talking with undergraduates, graduate students, and professors in mathematics, careers at national laboratories are not as well-known. It’s my goal in this article to give you some background and history of the national lab system, a glimpse into the work mathematicians do, and finally some insight into getting a job at a national lab.

career development, recruitment↗
DOE OSTI2024

ZMPY3D: accelerating protein structure volume analysis through vectorized 3D Zernike moments and Python-based GPU integration

Abstract Motivation Volumetric 3D object analyses are being applied in research fields such as structural bioinformatics, biophysics, and structural biology, with potential integration of artificial intelligence/machine learning (AI/ML) techniques. One such method, 3D Zernike moments, has proven valuable in analyzing protein structures (e.g., protein fold classification, protein–protein interaction analysis, and molecular dynamics simulations). Their compactness and efficiency make them amenable to large-scale analyses. Established methods for deriving 3D Zernike moments, however, can be inefficient, particularly when higher order terms are required, hindering broader applications. As the volume of experimental and computationally-predicted protein structure information continues to increase, structural biology has become a “big data” science requiring more efficient analysis tools. Results This application note presents a Python-based software package, ZMPY3D, to accelerate computation of 3D Zernike moments by vectorizing the mathematical formulae and using graphical processing units (GPUs). The package offers popular GPU-supported libraries such as CuPy and TensorFlow together with NumPy implementations, aiming to improve computational efficiency, adaptability, and flexibility in future algorithm development. The ZMPY3D package can be installed via PyPI, and the source code is available from GitHub. Volumetric-based protein 3D structural similarity scores and transform matrix of superposition functionalities have both been implemented, creating a powerful computational tool that will allow the research community to amalgamate 3D Zernike moments with existing AI/ML tools, to advance research and education in protein structure bioinformatics. Availability and implementation ZMPY3D, implemented in Python, is available on GitHub (https://github.com/tawssie/ZMPY3D) and PyPI, released under the GPL License.

Lai, Jhih-Siang (ORCID:0000000156775890)↗
DOE OSTI2020

Modern Senicide in the Face of a Pandemic: An Examination of Public Discourse and Sentiment About Older Adults and COVID-19 Using Machine Learning

Objectives This study examined public discourse and sentiment regarding older adults and COVID-19 on social media and assessed the extent of ageism in public discourse. Methods Twitter data (N = 82,893) related to both older adults and COVID-19 and dated from January 23 to May 20, 2020, were analyzed. We used a combination of data science methods (including supervised machine learning, topic modeling, and sentiment analysis), qualitative thematic analysis, and conventional statistics. Results The most common category in the coded tweets was “personal opinions” (66.2%), followed by “informative” (24.7%), “jokes/ridicule” (4.8%), and “personal experiences” (4.3%). The daily average of ageist content was 18%, with the highest of 52.8% on March 11, 2020. Specifically, more than 1 in 10 (11.5%) tweets implied that the life of older adults is less valuable or downplayed the pandemic because it mostly harms older adults. A small proportion (4.6%) explicitly supported the idea of just isolating older adults. Almost three-quarters (72.9%) within “jokes/ridicule” targeted older adults, half of which were “death jokes.” Also, 14 themes were extracted, such as perceptions of lockdown and risk. A bivariate Granger causality test suggested that informative tweets regarding at-risk populations increased the prevalence of tweets that downplayed the pandemic. Discussion Ageist content in the context of COVID-19 was prevalent on Twitter. Information about COVID-19 on Twitter influenced public perceptions of risk and acceptable ways of controlling the pandemic. Finaly, public education on the risk of severe illness is needed to correct misperceptions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

MIGHTEE: the nature of the radio-loud AGN population

ABSTRACT We study the nature of the faint radio source population detected in the MeerKAT International GHz Tiered Extragalactic Exploration (MIGHTEE) Early Science data in the COSMOS field, focusing on the properties of the radio-loud active galactic nuclei (AGNs). Using the extensive multiwavelength data available in the field, we are able to classify 88 per cent of the 5223 radio sources in the field with host galaxy identifications as AGNs (35 per cent) or star-forming galaxies (54 per cent). We select a sample of radio-loud AGNs with redshifts out to z ∼ 6 and radio luminosities 1020 < L1.4 GHz/W Hz−1 < 1027 and classify them as high-excitation and low-excitation radio galaxies (HERGs and LERGs). The classification catalogue is released with this work. We find no significant difference in the host galaxy properties of the HERGs and LERGs in our sample. In contrast to previous work, we find that the HERGs and LERGs have very similar Eddington-scaled accretion rates; in particular we identify a population of very slowly accreting AGNs that are formally classified as HERGs at these low radio luminosities, where separating into HERGs and LERGs possibly becomes redundant. We investigate how black hole mass affects jet power, and find that a black hole mass ≳ 107.8 M⊙ is required to power a jet with mechanical power greater than the radiative luminosity of the AGN (Lmech/Lbol > 1). We discuss that both a high black hole mass and black hole spin may be necessary to launch and sustain a dominant radio jet.

Whittam, I. H. (ORCID:0000000322655983)↗
DOE OSTI2026

Flow-dependent tagging of 214 Pb decays in the LZ dark matter detector

The LUX-ZEPLIN (LZ) experiment is searching for dark matter interactions in a liquid xenon time projection chamber (LXe-TPC). This article demonstrates how control of the flow state in the LXe-TPC enables the identification of pairs of sequential alpha-decays, which are used to map fluid flow and ion drift in the liquid target. The resulting transport model is used to tag 214 Pb~ beta-decays, a leading background to dark matter signals in LZ. Temporally evolving volume selections, at a cost of 9.0% of exposure, target the decay of each 214 Pb~ atom up to 81 minutes after production, resulting in (63±6 (s⁢t⁢a⁢t) ±7 (s⁢y⁢s) )% identification of 214 Pb~decays to ground state. We also demonstrate how flow-based tagging techniques enable a novel calibration side band that is concurrent with science data. Lastly we report updated estimates of radon-chain charge branching fractions in liquid xenon, finding branching to 218 Po + at 0.49±0.01, 214 Pb + at 0.48±0.12, and 214 Bi + at 0.74±0.05, with a mean charged ion lifetime in the LZ TPC of 49±4 min.

Lorenzon, Wolfgang [University of Michigan, Ann Ar↗
DOE OSTI2025

SymProp: Scaling Sparse Symmetric Tucker Decomposition via Symmetry Propagation

Sparse symmetric tensors are an important class of tensors, and their decompositions serve as powerful tools for revealing low-rank structures. This paper introduces SymProp, a novel approach for scaling sparse symmetric Tucker decomposition by propagating symmetry through intermediate computations. SymProp optimizes two key computational kernels: Sparse Symmetric Tensor Times Same Matrix chain (S3 TTMc) for Higher-Order Orthogonal Iteration (HOOI) and Sparse Symmetric Tensor Times Same Matrix chain Times Core (S3 TTMcTC) for Higher-Order QR Iteration (HOQRI). Our method employs a metaprogramming-based index iteration approach to efficiently handle the upper triangular parts of intermediate dense symmetric tensors. SymProp achieves up to 50.9× speedup over SPLATT and up to 360.8× over Compressed Sparse Symmetric (CSS) format on the S3 TTMc operation. Moreover, our S3 TTMc and S3 TTMcTC implementations support tensor orders four levels higher than state-of-the-art methods. Our HOQRI demonstrates superior scalability and up to a 33.6× speedup over optimized HOOI. By enabling more scalable Tucker decompositions for higher orders, decomposition ranks, and dimension sizes, SymProp opens new possibilities for analyzing complex hypergraph structures in fields such as network science, data mining, and machine learning.

Li, Zecheng [North Carolina State University]↗
DOE OSTI2024

SRBench++: Principled Benchmarking of Symbolic Regression With Domain-Expert Interpretation

Symbolic regression searches for analytic expressions that accurately describe studied phenomena. The main promise of this approach is that it may return an interpretable model that can be insightful to users, while maintaining high accuracy. The current standard for benchmarking these algorithms is SRBench, which evaluates methods on hundreds of datasets that are a mix of real-world and simulated processes spanning multiple domains. At present, the ability of SRBench to evaluate interpretability is limited to measuring the size of expressions on real-world data, and the exactness of model forms on synthetic data. In practice, model size is only one of many factors used by subject experts to determine how interpretable a model truly is. Furthermore, SRBench does not characterize algorithm performance on specific, challenging sub-tasks of regression such as feature selection and evasion of local minima. In this work, we propose and evaluate an approach to benchmarking SR algorithms that addresses these limitations of SRBench by 1) incorporating expert evaluations of interpretability on a domain-specific task, and 2) evaluating algorithms over distinct properties of data science tasks. We evaluate 12 modern symbolic regression algorithms on these benchmarks and present an in-depth analysis of the results, discuss current challenges of symbolic regression algorithms and highlight possible improvements for the benchmark itself.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Ensemble docking to difficult targets in early-stage drug discovery: Methodology and application to fibroblast growth factor 23

Ensemble docking is now commonly used in early-stage in silico drug discovery and can be used to attack difficult problems such as finding lead compounds which can disrupt protein–protein interactions. We give an example of this methodology here, as applied to fibroblast growth factor 23 (FGF23), a protein hormone that is responsible for regulating phosphate homeostasis. The first small-molecule antagonists of FGF23 were recently discovered by combining ensemble docking with extensive experimental target validation data (Science Signaling, 9, 2016, ra113). Here, we provide a detailed account of how ensemble-based high-throughput virtual screening was used to identify the antagonist compounds discovered in reference (Science Signaling, 9, 2016, ra113). Moreover, we perform further calculations, redocking those antagonist compounds identified in reference (Science Signaling, 9, 2016, ra113) that performed well on drug-likeness filters, to predict possible binding regions. These predicted binding modes are rescored with the molecular mechanics Poisson–Boltzmann surface area (MM/PBSA) approach to calculate the most likely binding site. Furthermore, our findings suggest that the antagonist compounds antagonize FGF23 through the disruption of protein–protein interactions between FGF23 and fibroblast growth factor receptor (FGFR).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Application of entropy and signal energy for ultrasound-based classification of three-dimensional printed polyetherketoneketone components

This paper describes a preliminary method for the classification of annealed and unannealed polyetherketoneketone (PEKK) components manufactured using a material extrusion three-dimensional (3D) printing process. PEKK is representative of a class of high-performance thermoplastics that are increasingly employed as feedstocks for use in 3D printing. PEKK components may be used continuously at elevated temperatures, are chemically resistant, and able to withstand large mechanical loads. These properties render PEKK suitable as a metal component replacement in aerospace applications, high-temperature industrial applications, and surgical implants. The structure of PEKK is semi-crystalline with the specific crystallinity correlating to the final properties during application, making determination of this property crucial. This study compares three different signal processing techniques intended to distinguish annealed (high crystallinity) from unannealed (low crystallinity) components using backscattered ultrasound. The first is energy-based and is unable to detect annealing. The second two are based on different entropies of the backscattered signal: a limiting form of Renyi's entropy and a limiting form of joint entropy. The joint entropy values for the annealed and unannealed specimens fall into two non-overlapping intervals and have a statistical separation of two standard deviations.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A Linear-Time Algorithm and Analysis of Graph Relative Hausdorff Distance

Graph similarity metrics serve far-ranging purposes across many domains in data science. As graph datasets grow in size, scientists need comparative tools that capture meaningful differences, yet are lightweight and scalable. Graph Relative Hausdorff (RH) distance is a promising, recently proposed measure for quantifying degree distribution similarity. In spite of recent interest in RH distance, little is known about its properties. Here, we conduct an algorithmic and analytic study of RH distance. In particular, we provide the first linear-time algorithm for computing RH distance, analyze examples of RH distance between families of graphs, and prove several analytic results concerning the range, density, and extremal behavior of RH distance values.

Relative Hausdorff distance, degree distribution, ↗