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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A testable hidden-sector model for Dark Matter and neutrino masses

We consider a minimal extension of the Standard Model with a hidden sector charged under a dark local U(1)' gauge group, accounting simultaneously for light neutrino masses and the observed Dark Matter relic abundance. The model contains two copies of right-handed neutrinos which give rise to light neutrino-masses via an extended seesaw mechanism. The presence of a stable Dark-Matter candidate and a massless state naturally arise by requiring the simplest anomaly-free particle content without introducing any extra symmetries. We investigate the phenomenology of the hidden sector considering the U(1)' breaking scale of the order of the electroweak scale. Confronting the thermal history of this hidden-sector model with existing and future constraints from collider, direct and indirect detection experiments provides various possibilities of probing the model in complementary ways as every particle of the dark sector plays a specific cosmological role. Across the identified viable parameter space, a large region predicts a sizable contribution to the effective relativistic degrees-of-freedom in the early Universe that allows to alleviate the recently reported tension between late and early measurements of the Hubble constant.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

New insights into creep characteristics of calcium silicate hydrates at molecular level

The fundamental mechanisms under concrete creep are far from being fully understood, especially at the molecular level. Hereby, a calcium-silicate-hydrate (C-S-H) molecular model is developed to explain, for the first time, the creep characteristics at various stress states, temperature levels and water contents, which are not accessible experimentally. Rather tensile and compressive loadings, C-S-H only creeps under shear loadings originating from the sliding of the calcium silicate layers over each other as the interlayer component (water and ions) acts as a lubricator. A heterogeneous creep characteristic is observed. Elevated temperature reduces the interlayer lubricator viscosity and weakens the interfacial adhesion between the layers and the interlayer lubricator, which accelerates C-S-H creep. The removal of interlayer water enhances the creep resistance, resulting from the reduced interlayer space and enhanced interfacial adhesion. The atomic-level mechanisms explain the inter-CSH-particle behaviours at the microscale, which bridges the gap between atomistic simulation and microcosmic phenomenon.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Coupling High-Throughput Experiments and Regression Algorithms to Optimize PGM-Free ORR Electrocatalyst Synthesis

Over the past decades, significant improvement has been achieved in the performance of platinum group metal-free (PGM-free) materials as an alternative to Pt-based electrocatalysts for oxygen reduction reaction (ORR). However, further progress in ORR activity requires evaluation of precursors and synthesis approaches. In response to this challenge, we generated a first of its kind experimental data set of 36 samples using high-throughput synthesis and activity measurements. Several control parameters (e.g., Fe precursor identity, the precursor content, and pyrolysis temperature) were varied. We then developed several state-of-the-art machine learning (ML) based regression models to predict ORR activity, dependent on selected synthesis variables. Through an iterative algorithm, higher prediction accuracy (smaller root-mean-square error) was achieved. We identified that gradient boosting regression (GBR) and support vector regression (SVR), among several methods, work best for this data set. Aided by our ML-based surrogate models, we decided to alter catalyst synthesis conditions, which resulted in a 36% increase in measured ORR activity in comparison to the maximum ORR mass activity value of 21.9 A/g catalyst in the original data set. Overall, this combined experiment and machine learning approach represents a promising path forward toward developing highly efficient next-generation ORR electrocatalysts and, more generally, functional materials.

25 ENERGY STORAGE↗
DOE OSTI2025

Creation of Self-Semi-Interpenetrating Network Structures in PIM-1 Membranes for Enhanced Physical Aging Resistance

A series of self-semi-interpenetrating network (ssIPN) thin films based on PIM-1 structure were developed by end-cross-linking telechelic PIM-1 oligomers end-capped with curable carboxylic acid groups to form model networks, which are penetrated by linear high-molecular-weight PIM-1 chains. ssIPN films with systematically varied network content ranging from 10 to 30 wt % were comprehensively examined on their microstructure and gas permeation properties. Fresh PIM-1 ssIPN films exhibited gas separation performances close to those of as-cast linear PIM-1, where the films closely followed the upper bound trade-off line, gaining as much selectivity as they lose gas permeability as the network content increases. This indicates that gas permeability is largely preserved despite cross-linking. Wide-angle X-ray scattering supported this observation, with peaks shifting toward lower d-spacing as oligomer content increased, suggesting tighter chain packing with higher cross-linkable oligomer loading. In physical aging studies over two months, all ssIPN films outperform linear PIM-1 for H 2 /CH 4 and O 2 /N 2 separations. Notably, the PIM-1 ssIPN with 10 wt % network content showed the best physical aging resistance, with negligible permeability loss even after one month. Finally, these findings highlight a promising macromolecular strategy for enhancing the physical aging resistance of microporous polymer membranes for gas separation.

PIM-1↗
DOE OSTI2024

Soil Moisture‐Cloud‐Precipitation Feedback in the Lower Atmosphere From Functional Decomposition of Satellite Observations

Abstract The feedback of topsoil moisture (SM) content on convective clouds and precipitation is not well understood and represented in the current generation of weather and climate models. Here, we use functional decomposition of satellite‐derived SM and cloud vertical profiles (CVP) to quantify the relationship between SM and the vertical distribution of cloud water in the central US. High‐dimensional model representation is used to disentangle the contributions of SM and other land‐surface and atmospheric variables to the CVP. Results show that the sign and strength of the SM‐cloud‐precipitation feedback varies with cloud height and time lag and displays a large spatial variability. Positive anomalies in antecedent 7‐hr SM and land‐surface temperature enhance cloud reflectivity up to 4 dBZ in the lower atmosphere about 1–3 km above the surface. Our approach presents new insights into the SM‐cloud‐precipitation feedback and aids in the diagnosis of land‐atmosphere interactions simulated by weather and climate models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Effects of surface diffusion in electrocatalytic CO 2 reduction on Cu revealed by kinetic Monte Carlo simulations

We report Kinetic Monte Carlo (KMC) methods are frequently used for mechanistic studies of thermally driven heterogeneous catalysis systems but are underused for electrocatalysis. Here, we develop a lattice KMC approach for electrocatalytic CO 2 reduction. The work is motivated by a prior experimental report that performed electroreduction of a mixed feed of 12 CO 2 and 13 CO on Cu; differences in the 13 C content of C2 products ethylene and ethanol (Δ 13 C) were interpreted as evidence of site selectivity. The lattice KMC model considers the effect of surface diffusion on this system. In the limit of infinitely fast diffusion (mean-field approximation), the key intermediates 12 CO* and 13 CO* would be well mixed on the surface and no evidence of site selectivity could have been observed. Using a simple two-site model and adapting a previously reported microkinetic model, we assess the effects of diffusion on the relative isotope fractions in the products using the estimated surface diffusion rate of CO* from literature reports. We find that the size of the active sites and the total surface adsorbate coverage can have a large influence on the values of Δ 13 C that can be observed. Δ 13 C is less sensitive to the CO* diffusion rate as long as it is within the estimated range. We further offer possible methods to estimate surface distribution of intermediates and to predict intrinsic selectivity of active sites based on experimental observations. This work illustrates the importance of considering surface diffusion in the study of electrochemical CO 2 reduction to multi-carbon products. Our approach is entirely based on a freely available open-source code, so will be readily adaptable to other electrocatalytic systems.

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

Capturing high‐resolution digital images for use in forensic document examination

Abstract In the past, pattern disciplines within forensic science have periodically faced criticism due to their subjective and qualitative nature and the perceived absence of research evaluating and supporting the foundations of their practices. Recently, however, forensic scientists and researchers in the field of pattern evidence analysis have developed and published approaches that are more quantitative, objective, and data driven. This effort includes automation, algorithms, and measurement sciences, with the end goal of enabling conclusions to be informed by quantitative models. Before employing these tools, forensic evidence must be digitized in a way that adequately balances high‐quality detail and content capture with minimal background noise imparted by the selected technique. While the current work describes the process of optimizing a method to digitize physical documentary evidence for use in semi‐automated trash mark examinations, it could be applied to assist other disciplines where the digitization of physical items of evidence is prevalent. For trash mark examinations specifically, it was found that high‐resolution photography provided optimal digital versions of evidentiary items when compared to high‐resolution scanning.

Riley, Paige↗
DOE OSTI2025

As-Run Neutronic Calculations of HFIR Mini-Fuel Experiments: Guidelines for Analysts

This report provides guidelines for analysts performing radiation transport calculations for mini-fuel experiments irradiated in the High Flux Isotope Reactor (HFIR). Procedures, practical recommendations, and modeling conventions which are essential to ensuring consistency and high fidelity in as-run simulations have been compiled. The content is intended to be a portion of the official training material for new staff in this area, offering both technical references and practical guidance derived from previous experience. This report is a living document and will be periodically updated to incorporate new developments, methodological improvements, and lessons learned from ongoing and future irradiation campaigns.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Godzilla mineral dust and La Soufrière volcanic ash fallout immediately stimulate marine microbial phosphate uptake

During the “Godzilla” dust storm of June 2020, unusually high fluxes of mineral dust traveled across the Atlantic from the Sahara Desert, reaching the Caribbean Basin, Gulf Coast, and southeastern United States. Additionally, an eruption of the La Soufrière volcano on St. Vincent in April 2021 generated substantial ashfall in the southeastern Caribbean. While many studies have analyzed mineral dust’s ability to relieve nutrient limitation of phosphorus (P) in the P-stressed North Atlantic, less is known about the impact of extreme events and other natural aerosols on fluxes of P into seawater and from seawater into marine microbial cells. We quantified P and iron (Fe) content in mineral dust from the Godzilla dust storm and volcanic ash from the La Soufrière eruption collected at Ragged Point, Barbados. We also performed seawater incubations to assess the marine microbial response to aerosol deposition. Using environmentally-relevant concentrations of atmospheric particles for within the ocean’s mixed layer allowed us to draw realistic conclusions about how these deposition events impacted P cycling in situ. Volcanic ash has lower P content than mineral dust, and P in volcanic ash is far less soluble (~1%) than assumed in current atmospheric deposition models. Adding mineral dust and the volcanic ash leachate in concentrations representing different deposition scenarios increased soluble reactive phosphorus (SRP) concentrations in coastal seawater by ~7-32 nM. Phosphate uptake rate was stimulated in coastal seawater after either mineral dust or volcanic ash deposition at aerosol concentrations relevant to the Godzilla dust event, with ash eliciting the fastest uptake rate. Furthermore, high concentrations of both the mineral dust and volcanic ash led to slightly elevated alkaline phosphatase activity (APA) compared to the relevant controls, indicating higher potential for use of dissolved organic phosphorus (DOP) as a P source. Quantifying these aerosols’ impacts on P cycling is a significant step towards achieving a better understanding of their potential roles in relieving nutrient limitation and fueling the biological carbon pump.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Terminus: A Versatile Simulator for Space-based Telescopes

Space-based telescopes offer unparalleled opportunities for characterizing exoplanets, solar system bodies, and stellar objects. However, observatories in low-Earth orbits (e.g., Hubble, CHaracterising ExOPlanets Satellite, Twinkle, and an ever-increasing number of cubesats) cannot always be continuously pointed at a target due to Earth obscuration. For exoplanet observations consisting of transit, or eclipse, spectroscopy, this causes gaps in the light curve, which reduces the information content and can diminish the science return of the observation. Terminus, a time-domain simulator, has been developed to model the occurrence of these gaps to predict the potential impact on future observations. The simulator is capable of radiometrically modeling exoplanet observations as well as producing light curves and spectra. Here, Terminus is baselined on the Twinkle mission, but the model can be adapted for any space-based telescope and is especially applicable to those in a low-Earth orbit. Terminus also has the capability to model observations of other targets such as asteroids or brown dwarfs.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Predicting core transport in ITER baseline discharges with neon injections

Achieving self-consistent performance predictions for ITER requires integrated modeling of core transport and divertor power exhaust under realistic impurity conditions. We present results from a systematic power-flow and impurity-content study for the ITER 15 MA baseline scenario constrained directly by existing SOLPS-ITER neon-seeded divertor solutions. Using the OMFIT STEP workflow, stationary temperature and density profiles are predicted with TGYRO for $1.5 \unicode{x2A7D} Z_\textrm{eff} \unicode{x2A7D} 2.5$, and the corresponding power crossing the separatrix $P_\textrm{sep}$ is evaluated. We find that $P_\textrm{sep}$ varies by more than a factor of 1.7 across this scan and matches the ${\sim}100$ MW SOLPS-ITER prediction when $Z_\textrm{eff} \simeq 1.6$ or when auxiliary heating is reduced to ${\sim}75\%$ of nominal. Rotation-sensitivity studies show that plausible variations in toroidal flow magnitude modify $P_\textrm{sep}$ by $\lesssim 20\%$, while AURORA modeling confirms that charge-exchange radiation inside the separatrix is dynamically negligible under predicted ITER neutral densities. These results identify a restricted compatibility window, $Z_\textrm{eff} \approx 1.6$ –1.75 and $0.75 \lesssim f_{P_\textrm{aux}} \unicode{x2A7D} 1.0$, in which core transport predictions remain aligned with neon-seeded divertor protection targets. This self-consistent, model-constrained framework provides actionable guidance for impurity control and auxiliary-heating scheduling in early ITER operation and supports future whole-device scenario optimization.

ITER↗
DOE OSTI2022

FFT-based model for irradiated aggregate microstructures in concrete

The concrete biological shield of light water reactors is exposed to neutron and gamma irradiation throughout its lifetime, which results in the long-term degradation of the concrete’s mechanical properties. Under neutron irradiation, the concrete’s aggregates are subjected to radiation-induced volumetric expansion (RIVE), which strongly depends on the mineral content of the aggregate and exhibits the largest expansion in silicate-bearing minerals. In this work, the authors used the fast Fourier transform-based code Microstructure-Oriented Scientific Analysis of Irradiated Concrete (MOSAIC) in 2D to model the expansion of five different aggregates provided by the Japan Concrete Aging Management Program (JCAMP). Comparable rock specimens were irradiated at the JEEP-II test reactor. The model uses realistic aggregate microstructure reconstruction based on high-resolution characterization images. The model accounts for anisotropic RIVE, thermal expansion, and the associated initiation and propagation of damage. The RIVE models are calibrated based on expansion data in the literature. The authors assume that damage occurs exclusively at interfaces between the particles that compose an aggregate and that these interfaces also exhibit swelling. Using a micromechanical model, the evolution of Young’s modulus with RIVE is calculated for each aggregate and compared with Russian irradiation data. The modeled linear expansion agrees well with the experimentally measured expansion. Furthermore, the model also predicts that anisotropic RIVE and thermal expansion result in an earlier onset of damage with neutron fluence than in the isotropic case.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Underwater Target Detection Software Demonstration on the RivGen Turbine

This repository contains data and processing scripts necessary to train the object detection models utilized in the underwater target detection software demonstration on the RivGen turbine project and to produce performance metrics (precision, recall, mAP50, mAP50-95). - Contents - Data consist of "images" and "labels". Each image has an associated label, both share the same time string in its file name (e.g., 2024_05_25_09_01_57.98.jpg and 2024_05_25_09_01_57.98.txt). Time strings have the format %yyyy_%mm_%dd_%HH_%MM_%SS.%3f. Images and labels were curated from 2021 and 2024 smolt outmigration periods at the project site in Igiugig, AK. Images are monochrome 8-bit images of objects (smolt, debris, and other) passing through the field of view of the deployed cameras during various operational stages of the RivGen turbine. Labels are text files indicating the class and bounding polygon of each object in an image. The provided labels use the "YOLO" label format. - Requirements - Python3.8+ is required to install and run the train and validation script. The README.md provides instruction for installing the requirements from the requirements.py file. - Instructions - The "example_train.py" file ingests the provided data, trains a model, and produces model performance metrics at completion. NOTE: model performance metrics will vary from run to run as a consequence of the random selection of training and validation data.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Biofuels Induced Land Use Change Emissions: The Role of Implemented Land Use Emission Factors

Biofuels’ induced land-use change (ILUC) emissions have been widely studied over the past 15 years. Many studies have addressed uncertainties associated with these estimates. These studies have broadly examined uncertainties associated with the choice of economic models, their assumptions and parameters, and a few bio-physical variables. However, uncertainties in land-use emission factors that represent the soil and vegetation carbon contents of various land types across the world and are used to estimate carbon fluxes due to land conversions are mostly overlooked. This paper calls attention to this important omission. It highlights some important sources of uncertainty in land-use emissions factors, explores the range in these factors from established data sources, and compares the influence of their variability on ILUC emissions for several sustainable aviation fuel (SAF) pathways. The estimated land-use changes for each pathway are taken from a well-known computable general equilibrium model, GTAP-BIO. Two well-known carbon calculator models (CCLUB and AEZ-EF) that represent two different sets of emissions factors are used to convert the GTAP-BIO estimated land-use changes to ILUC emissions. The results show that the calculated ILUC emissions obtained from these carbon calculators for each examined SAF pathway are largely different, even for the same amortization time horizon. For example, the ILUC emissions values obtained from the AEZ-EF and CCLUB models for producing jet fuel from corn ethanol for a 25-year amortization period are 24.9 gCO 2 e/MJ and 15.96 gCO 2 e/MJ, respectively. This represents a 60% difference between the results of these two carbon calculators for the same set of land-use changes. The results show larger differences for other pathways as well.

09 BIOMASS FUELS↗
DOE OSTI2020

Reactive Transport Modeling of Shale–Fluid Interactions after Imbibition of Fracturing Fluids

Injection of hydraulic fracturing fluid (HFF) into shale formations for unconventional oil/gas production results in chemical reactions in the shale matrix. Our recent experimental study determined the depths to which different types of reactions between the shale matrix and the HFF extended. In the present study, we built continuum-scale reactive transport models to understand the coupling of chemical reactions and the transport of aqueous species in these shale–HFF systems. Calibration of the model with our previous experimental results reveals that it takes hours to months for the shale matrix to completely neutralize the imbibed acids, depending primarily upon the carbonate content of the shale. Both the HFF pH and pore pH affect the location of barite precipitation, resulting in unique barite precipitation profiles extending millimeters into calcite-rich Eagle Ford shale but only tens of micrometers into low-carbonate Marcellus shale. In addition, dissolved oxygen and extracted bitumen are key to reproducing the experimental observation of Fe(III) (oxyhydr)oxide formation in the shale matrix as a result of pyrite dissolution in the shales. A comparison between the modeling results of porosity in the present study to experimentally measured permeabilities in our previous study suggests that chemical reactions occurring at a greater depth than the observable reaction zone might have impacted permeability. Our model serves as a benchmark for efficiently modeling water–rock interactions in similar systems where bulk rock samples react with a solution in batch reactors. Important reactive transport processes were ascertained via modeling, which allows for quantitative prediction of shale–HFF interactions in shale matrices given the shale and HFF compositions.

58 GEOSCIENCES↗
DOE OSTI2023

Compressing the Cosmological Information in One-dimensional Correlations of the Lyman-$\alpha$ Forest

Observations of the Lyman-α forest from spectroscopic surveys such as the Baryon Oscillation Spectroscopic Survey or its extension, eBOSS, or the ongoing Dark Energy Spectroscopic Instrument (DESI) survey offer a unique window to study the growth of structure on megaparsec scales. Interpretation of these measurements is a complicated task, requiring hydrodynamical simulations to model and marginalize over the thermal and ionization state of the intergalactic medium. This complexity has limited the use of Lyα clustering measurements in joint cosmological analyses. In this work we show that the cosmological information content of the one-dimensional power spectrum (P 1D ) of the Lyman-α forest can be compressed into a simple two-parameter likelihood without any significant loss of constraining power. We simulate P 1D measurements from DESI using hydrodynamical simulations and show that the compressed likelihood is model independent and lossless, recovering unbiased results even in the presence of massive neutrinos or running of the primordial power spectrum.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Unveiling the chemical fingerprint of phosphorus-rich stars: I. In the infrared region of APOGEE-2

The origin of phosphorus, one of the essential elements for life on Earth, is currently unknown. Prevalent models of Galactic chemical evolution (GCE) systematically underestimate the amount of P compared to observations, especially at low metallicities. The recently discovered P-rich ([P/Fe] ≳ 1.2 dex) and metal-poor ([Fe/H] ≃ –1.0 dex) giants further challenge the GCE models, calling current theories on stellar nucleosynthesis into question. Since the observed low-mass giants are not expected to produce their high P contents themselves, our primary goal is to find clues on their progenitor or polluter. By increasing the number of known P-rich stars, we aim to narrow down a statistically reliable chemical abundance pattern that defines these peculiar stars. In this way, we place more robust constraints on the nucleosynthetic mechanism that causes the unusually high P abundances. In the long term, identifying the progenitor of the P-rich stars may contribute to the search for the source of P in our Galaxy. We performed a detailed chemical abundance analysis based on the high-resolution near-infrared (H band) spectra from the latest data release (DR17) of the APOGEE-2 survey. Employing the BACCHUS code, we measured the abundances of 13 elements in the inspected sample, which is mainly composed of a recent collection of Si-enhanced giants. We also analyzed the orbital motions and compared the abundance results to possible nucleosynthetic formation scenarios, and also to detailed GCE models. These models were produced with the OMEGA+ chemical evolution code, using four different massive star yield sets to investigate different scenarios for massive star evolution. We enlarged the sample of confirmed P-rich stars from 16 to a group of 78 giants, which represents the largest sample of P-rich stars to date. The sample includes the first detection of a P-rich star in a Galactic globular cluster. Significant enhancements in O, Al, Si, and Ce, as well as systematic correlations among the studied elements, unveil the unique chemical fingerprint of the P-rich stars. In contrast, the high [Mg/Fe] and [(C+N)/Fe] found in some of the P-rich stars with respect to P-normal stars is not confirmed over the full sample because of the current uncertainties. Strikingly, the strong overabundance in the α-element Si is accompanied by normal Ca and S abundances. This is at odds with current stellar nucleosynthesis models of massive stars. Our analysis of the orbital motion showed that the P-rich stars do not belong to a locally specific population in the Galaxy. In addition, we confirm that the majority of the sample stars are not part of binary systems.

79 ASTRONOMY AND ASTROPHYSICS↗