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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Using Calibrated Sodium Data for Preliminary Validation of the SRT Code for Advanced Reactors

Various types of non-light water reactors are currently engaged in the U.S. licensing process. Because of inherent differences compared with well-established large light water reactors, appropriate assessment tools are needed. Specifically, source term analysis, which determines environmental dose impacts from potential accident scenarios, is a crucial part of design and licensing. The U.S. Nuclear Regulatory Commission has emphasized the importance of mechanistic source term analysis for advanced reactor deployments. To align with these needs, Argonne National Laboratory has developed the Simplified Radionuclide Transport (SRT) source term analysis code for metal fuel Sodium-cooled Fast Reactors (SFRs) and microreactors. SRT conducts time-dependent radionuclide transport and retention in SFRs for core and ex-core radionuclide source accident sequences. The main objective of SRT is to provide rapid sensitivity and uncertainty analyses, incorporating parametric uncertainties and summarizing probabilistic results. As part of the code validation process, a study focused on the bubble scrubbing module was performed using an experiment recently carried out by the University of Wisconsin-Madison. Based on the analysis, the modeling approach in SRT provides accurate results for small and large aerosols, while slight underprediction of radionuclide aerosol removal are observed for medium sized aerosols. However, the deviation is minor, considering the highly uncertain phenomenon and range of results, and is in the conservative direction. In addition, uncertainty information derived from the experiments is further implemented, reflecting the actual span of parameters, which leads to enhanced agreement with code predictions. The results demonstrate that SRT provides reasonable predictions for the bubble scrubbing process in sodium pool.

Kam, Dong Hoon↗
DOE OSTI2023

Enhancing Organic Semiconductor Molecular Packing Using Perovskite Interfaces to Improve Singlet Fission

Singlet fission, a process by which one singlet exciton is converted into two lower energy triplet excitons, is sensitive to the degree of electronic coupling within a molecular packing structure. Variations in molecular packing can be detrimental to triplet formation and triplet–triplet separation, ultimately affecting the harvesting of triplets for electricity in organic photovoltaic devices. Here, six phase-pure molecular packing structures of 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-pentacene) with varying optoelectronic properties are isolated using 2D lead halide perovskites as tunable, crystalline surfaces for crystallization. Transient absorption spectroscopy reveals that while triplet formation is fast (<100 fs) regardless of template structure, the increased ordering in perovskite-templated samples speeds up triplet–triplet separation and recombination, providing evidence that the benefits of phase-purity offset minor variations in molecular packing. Molecular dynamics modeling of the interface reveals that perovskite-templating allows for closer packing of TIPS-pentacene molecules for all perovskite templates. With an extensive number of organic molecule-perovskite pairings, this work provides a methodology to use ordered, periodic surfaces to elucidate structure–property relationships of small organic molecules in order to adjust structural or optoelectronic responses, such as molecular packing and singlet fission.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Understanding the performance of membrane for direct air capture of CO 2

Abstract Direct air capture (DAC) of CO 2 is becoming increasingly important for reducing greenhouse gas concentrations in the atmosphere. However, the cost and energy requirements associated with DAC make it less economically feasible than carbon capture from flue gases. While various methods like solid sorbents and gas–liquid absorption have been explored for DAC, membrane processes have only recently been investigated. The objective of this study is to examine the separation performance of a membrane unit for capturing CO 2 from ambient air. The performance of a membrane depends on several factors, including the composition of the feed gas, pressure ratio, material selectivity, and membrane area. The single‐stage separation process with the co‐current flow and constant permeability flux model is evaluated using a commercial module integrated with a process simulator to separate a binary mixture of carbon dioxide and nitrogen to assess the sensitivity of selectivity on purity and recovery of CO 2 in permeate, and power requirement. Additionally, three levels of CO 2 reduction from the feed stream to the retentate stream (25%, 50%, and 75%) are studied. A trade‐off between purity and recovery factor is observed, and achieving high purity in permeate requires high concentration in the retentate.

Panja, Palash↗
DOE OSTI2022

Structural Properties of Nanometer‐Sized Gold Nanoparticles on a Silicon Substrate

Properties of gold nanoparticles (Au NPs) supported on Si substrates, which have been the focus of recent attention, depend sensitively on the size, structure, and coordination of Au NPs as well as on the processes of interdiffusion and chemical bonding at the Au–Si interface. There is a great need, therefore, for developing structural techniques capable of imaging such nanosystems in atomic detail. Here, it is discussed how the atomic structure of nanometer‐sized Au NPs deposited on a silicon surface can be determined by using high‐energy X‐ray diffraction measurements in combination with an analysis based on atomic‐pair‐distribution functions and advanced reverse Monte Carlo methods. This approach delivers simple and incisive pictures of the structure of Au clusters on Si and reveals direct structural evidence for the emergence of a Au‐silicide interface following room temperature deposition of Au NPs on Si. This study will contribute to designing Au/Si nanostructures with desirable properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Neutron Detectors for Scattering Applications

The book covers, for the first time, the most common neutron detectors used in neutron scattering facilities and all of those in use at Oak Ridge National Lab. The first two chapters describe the facilities, instruments and the critical detector parameters needed by various instruments. The third chapter focuses on the key components of the 3He-based linear position sensitive detectors as well as on their electronics, which require particular attention to signal-processing and noise reduction. The fourth chapter is dedicated to the 3He alternatives where scintillators play a critical role. Finally, chapter 5 covers emerging neutron detection technologies including semiconductors, vacuum-based devices and their associated readouts, which will be required in the future for high rate and high-resolution neutron detectors.

Diawara, Yacouba↗
DOE OSTI2023

Search for long-lived, massive particles in events with displaced vertices and multiple jets in pp collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for long-lived particles decaying into hadrons is presented. The analysis uses 139 fb –1 of $pp$ collision data collected at $\sqrt{s}$ = 13 TeV by the ATLAS detector at the LHC using events that contain multiple energetic jets and a displaced vertex. The search employs dedicated reconstruction techniques that significantly increase the sensitivity to longlived particles decaying in the ATLAS inner detector. Background estimates for Standard Model processes and instrumental effects are extracted from data. The observed event yields are compatible with those expected from background processes. The results are used to set limits at 95% confidence level on model-independent cross sections for processes beyond the Standard Model, and on scenarios with pair-production of supersymmetric particles with long-lived electroweakinos that decay via a small $R$-parity-violating coupling. The pair-production of electroweakinos with masses below 1.5 TeV is excluded for mean proper lifetimes in the range from 0.03 ns to 1 ns. When produced in the decay of $m$($\tilde{g}$) = 2.4 TeV gluinos, electroweakinos with $m$($\tilde{χ}_{1}^{0}$) = 1.5 TeV are excluded with lifetimes in the range of 0.02 ns to 4 ns.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

A quality-agnostic combinatoric cost estimation model for large-format directed energy deposition metal additive manufacturing

Directed energy deposition (DED) additive manufacturing (AM) processes are amenable to synergistic combination into multi-process AM systems due to similar requirements for automation and energy sources. This work analyzes the economic performance of such DED AM systems from a quality-agnostic combinatoric standpoint with a model that calculates lowest-cost system combinations based on part geometry and process performance metrics. Common DED AM systems research focuses on a single process and does not consider the process, system, and application in the context of all possible system combinations (e.g., the combined set of process selection(s), motion system(s), and process hardware), leading to limited applicability of the resulting DED AM systems to cost-sensitive components such as those found in energy generation applications. The model developed herein incorporates the capital, material, and energy costs associated with DED AM system combinations into a predictive tool for estimating part and system cost, the output of which is intended to guide deployment of finite research and development resources towards DED AM system combinations with the lowest costs and greatest likelihood of economic impact. The DED AM systems identified by this framework may enable domestic production of the large conventionally cast and forged components necessary for energy generation.

Shanafield, Alexandra [ORNL]↗
DOE OSTI2020

Spontaneous Raman–LIF–CO–OH measurements of species concentration in turbulent spray flames

This paper presents new measurements of species concentrations, temperature and mixture fraction in selected regions of a turbulent ethanol spray flame. The line-Raman–LIF–COsingle bondOH setup developed at the Sandia's Combustion Research Facility is utilised to probe regions of a spray flame where laser breakdown of liquid droplets is avoided and the remaining interferences can be corrected. The spray flame is stabilised on the piloted Sydney needle spray burner, where axial translation of the liquid injecting needle in the air-blast stream can transition the spray from dilute to dense. The solution to obtaining successful measurements is found to be multifaceted and includes: the appropriate selection of flame conditions; high sensitivity of the Raman detection system permitting reduced laser energies; development of a pre-processing algorithm to reject strong droplet interferences; and application of the hybrid matrix inversion method combined with wavelet denoising to account for interference corrections and noise at the very low signal levels obtained. Unique and necessary for the successful measurements reported in this paper, a pre-processing algorithm is outlined that removes data points corrupted with strong interferences from droplets. These interferences arise from a range of sources, but the most intense are due to the laser interaction with surrounding mist or liquid fragments, such that measurements near the jet centreline are corrupted and hence discarded. Reliable measurements of mixture fraction, temperature obtained from the sum of the species number densities, and species mole fractions are reported for regions in the flames sufficiently far from the centreline. The paper demonstrates the feasibility of the judicious use of Raman scattering in turbulent spray flames, the results of which will be extremely useful for validating numerical simulations.

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

Negative-Ion Formation upon Soft X-ray Photoexcitation of 2-Propanol

This study investigates the formation of negative ion fragments from gas-phase 2-propanol molecules after interaction with soft X-rays near the O K-edge. The experiment was performed by detecting negative and positive ions in coincidence with time-of-flight spectrometry. The analysis of two- and three-ion coincidence data revealed that nine different anions were produced: H – , C – , CH – , CH 2 – , O – , OH – , C 2 – , C 2 H – , and C 3 – . For all anions, the most common three-ion events were those involving two protons. The results highlight the sensitivity of negative-ion/positive-ion coincidence spectroscopy and provide new insight into the fragmentation processes of organic molecules under soft X-ray excitation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Overview of the Nephele Perturbed Parameter Ensemble for Aerosol‐Cloud Interactions in E3SMv3

Aerosol-cloud interactions (aci) are the leading source of uncertainty in inferring climate sensitivity from the historical record. Earth system models (ESMs) struggle to represent aci because the processes responsible for these phenomena occur at much finer time and space scales than can be resolved by any ESM. Observational constraints provide key benchmarks to test ESMs, but cannot be used alone to fully understand aci processes except in very specific cases where causality is controlled; some degree of modeling is required to infer aci and estimate radiative forcing. Here, we generate and characterize a perturbed parameter ensemble (PPE) in version 3 of the Energy Exascale ESM (E3SMv3). We perturb 25 parameters that govern aci processes over 250 members and integrate the model over present-day and preindustrial aerosol emissions. We find that the process representation in E3SMv3 is flexible and can generate global-mean effective radiative forcings due to aci (ERFaci) ranging from −3.0 to +0.9 W m −2 . The positive ERFaci values simulated by a portion of the PPE are implausible and result from parameter combinations that produce unrealistic top-of-atmosphere energy fluxes. While global-mean cloud droplet number concentration always increases in response to anthropogenic aerosol, cloud liquid water path can both increase and decrease, suggesting that precipitation suppression is not the only aerosol-cloud adjustment represented by E3SMv3. Analysis of which processes control liquid cloud adjustment in the PPE points toward stratiform precipitation processes and aerosol activation, which is consistent with many previous ESMs, as well as the new two-moment convective cloud microphysics in E3SMv3.

Nugent, Jacqueline M. [Univ. of Wyoming, Laramie, ↗
DOE OSTI2021

Soil organic carbon cycling in response to simulated soil moisture variation under field conditions

The combination of extended dry periods and high intensity rainfall, common in the southeastern US, leads to greater variability in soil moisture and consequently increases uncertainty to microbial processes pertinent to soil carbon (C) mineralization. However, field-based findings on soil moisture sensitivity to soil C cycling are very limited. Therefore, a field experiment was conducted in 2018 and 2019 on a soybean (Glycine max L.) cropland in the southeastern US with three soil moisture treatments: drought (simulated using rainout-shelter from June to October in each year), rainfed (natural precipitation), and irrigated (irrigation and precipitation). Soil respiration was measured weekly from May to November in both years. Soil samples were collected multiple times each year from 0–5, 5–15, and 15–30 cm depths to determine microbial biomass C (MBC), extractable organic C (EOC), hydrolytic enzyme activities, and fungal abundance. The cumulative respiration under drought compared to other treatments was lower by 32% to 33% in 2018 and 38% to 45% in 2019. Increased MBC, EOC, and fungal abundance were observed under drought than other treatments. Specific enzyme activity indicated fewer metabolically active microbes under drought treatment compared to rainfed and irrigated treatments. Also, maintenance of enzyme pool was observed under drought condition. These results provide critical insights on microbial metabolism in response to soil moisture variation and how that influences different pools of soil C under field conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A streamlined tandem tip-based workflow for sensitive nanoscale phosphoproteomics

Effective phosphoproteome of nanoscale sample analysis remains a daunting task, primarily due to significant sample loss associated with non-specific surface adsorption during enrichment of low stoichiometric phosphopeptide. We develop a tandem tip phosphoproteomics sample preparation method that is capable of sample cleanup and enrichment without additional sample transfer, and its integration with our recently developed SOP (Surfactant-assisted One-Pot sample preparation) and iBASIL (improved Boosting to Amplify Signal with Isobaric Labeling) approaches provides a streamlined workflow enabling sensitive, high-throughput nanoscale phosphoproteome measurements. This approach significantly reduces both sample loss and processing time, allowing the identification of >3000 (>9500) phosphopeptides from 1 (10) µg of cell lysate using the label-free method without a spectral library. It also enables precise quantification of ~600 phosphopeptides from 100 sorted cells (single-cell level input for the enriched phosphopeptides) and ~700 phosphopeptides from human spleen tissue voxels with a spatial resolution of 200 µm (equivalent to ~100 cells) in a high-throughput manner. The new workflow opens avenues for phosphoproteome profiling of mass-limited samples at the low nanogram level.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Micromachined ceramic-based chipless LC resonator for high-temperature wireless sensing applications in harsh environments

The primary objective of this work was the fabrication and testing of a wireless LC resonator based on micro-patterned electroceramic materials for the monitoring of high-temperature systems. The twodimensional planar LC resonator sensors were designed and simulated using ANSYS Maxwell software, and these sensors were then fabricated from electrically conductive La 2 NiO 4 /Al 2 O 3 particulate inks. Initially, the phases of La 2 NiO 4 /Al 2 O 3 composite were evaluated by XRD. The patterning and deposition of the ink were completed using a novel micro-casting process onto Al 2 O 3 ceramic substrates, and the final pattern was bonded onto the substrate at 1200 °C for 2 h. The features and the reliability were analyzed by SEM microscopy. The frequency shift with respect to temperature was measured, which is directly related to changes in the sensor’s dielectric permittivity and pattern dimensions. The sensors were characterized at 500 °C–1000 °C in an ambient atmosphere with an RF signal ranging from 10–80 MHz at 175 kHz·s –1 sweep rate. The sensors showed a sensitivity of ~350 kHz °C –1 from 500 °C–1000 °C. Here, a new robust and adaptive signal processing approach was introduced to increase the degree of freedom for analyzing wireless sensors.

42 ENGINEERING↗
DOE OSTI2022

Image-domain DAS 3D VSP elastic transmission tomography

SUMMARY Full-wavefield elastic imaging of active-source seismic data acquired by downhole receivers commonly offers higher-resolution subsurface images in the vicinity of a borehole compared to conventional surface seismic data sets, which can lack higher-frequency wavefield components due to longer travel paths and increased attenuation. An increasingly used approach for downhole acquisition is vertical seismic profiling (VSP), which has become more attractive when coupled with distributed acoustic sensing (DAS) using optical fibres installed in wells. The main difficulty for generating high-quality images with full-wavefield imaging tools for DAS VSP data, though, is the need for an accurate velocity model. To build plausible velocity models using active-source DAS VSP data, we adopt a 3-D image-domain elastic transmission tomography technique, originally developed for surface-recorded passive (microseismic) data, by exchanging the source and receiver positions (i.e. reciprocity) to mimic a passive-seismic surface monitoring scenario. The inversion approach exploits various images for each source constructed through time-reverse imaging (TRI) of downgoing P- and S-wave first-arrival waveforms. The TRI process uses the kinetic term of the (extended) PS energy imaging condition that exhibits sufficient sensitivity to velocity model errors. The method automatically updates the P- and S-wave velocity models to optimize image focusing via adjoint-state inversion. We illustrate the efficacy of the adopted elastic inversion technique using an active-source DAS 3-D VSP field data set acquired in the North Slope of Alaska. The numerical experiments demonstrate that the inverted elastic velocity models can be further used in full-wavefield acoustic/elastic imaging algorithms to obtain accurate subsurface images.

Oren, Can (ORCID:000000019534265X)↗
DOE OSTI2024

Discovering neutrino tridents at the Large Hadron Collider

Neutrino trident production of dilepton pairs is well recognized as a sensitive probe of both electroweak physics and physics beyond the Standard Model. Although a rare process, it could be significantly boosted by such new physics, and it also allows the electroweak theory to be tested in a new regime. We demonstrate that the forward neutrino physics program at the Large Hadron Collider offers a promising opportunity to measure for the first time, dimuon neutrino tridents with a statistical significance exceeding 5 σ , improving on the previous claims at the ∼ 3 σ level by the CHARM-II and CCFR collaborations while accounting for additional backgrounds later identified by the NuTeV collaboration. We present predictions for various proposed experiments and outline a specific experimental strategy to identify the signal and mitigate backgrounds, based on “reverse tracking” dimuon pairs in the FASER ν 2 detector. We also discuss prospects for constraining beyond Standard Model contributions to neutrino trident rates at high energies. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Genome-wide DNA methylation patterns harbour signatures of hatchling sex and past incubation temperature in a species with environmental sex determination

Conservation of thermally sensitive species depends on monitoring organismal and population-level responses to environmental change in real time. Epigenetic processes are increasingly recognized as key integrators of environmental conditions into developmentally plastic responses, and attendant epigenomic data sets hold potential for revealing cryptic phenotypes relevant to conservation efforts. Here, we demonstrate the utility of genome-wide DNA methylation (DNAm) patterns in the face of climate change for a group of especially vulnerable species, those with temperature-dependent sex determination (TSD). Due to their reliance on thermal cues during development to determine sexual fate, contemporary shifts in temperature are predicted to skew offspring sex ratios and ultimately destabilize sensitive populations. Using reduced-representation bisulphite sequencing, we profiled the DNA methylome in blood cells of hatchling American alligators (Alligator mississippiensis), a TSD species lacking reliable markers of sexual dimorphism in early life stages. We identified 120 sex-associated differentially methylated cytosines (DMCs; FDR < 0.1) in hatchlings incubated under a range of temperatures, as well as 707 unique temperature-associated DMCs. We further developed DNAm-based models capable of predicting hatchling sex with 100% accuracy (in 20 training samples and four test samples) and past incubation temperature with a mean absolute error of 1.2°C (in four test samples) based on the methylation status of 20 and 24 loci, respectively. Though largely independent of epigenomic patterning occurring in the embryonic gonad during TSD, DNAm patterns in blood cells may serve as nonlethal markers of hatchling sex and past incubation conditions in conservation applications. These findings also raise intriguing questions regarding tissue-specific epigenomic patterning in the context of developmental plasticity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

MAGNETIC FLUX EXPULSION IN SUPERCONDUCTING RADIO-FREQUENCY NIOBIUM CAVITIES MADE FROM COLD WORKED NIOBIUM

Trapped residual magnetic field during the cool down of superconducting radio frequency (SRF) cavities is one of the primary sources of RF residual losses leading to lower quality factor. Historically, SRF cavities have been fabricated from high purity fine grain niobium with grain size ~50 to 100 µm as well as large grain with grain size of the order of few centimeters. Non-uniform recrystallization of fine-grain Nb cavities after the post fabrication heat treatment leads to higher flux trapping during the cool down, and hence the lower quality factor. We fabricated two 1.3 GHz single cell cavities from cold-worked niobium from different vendors and processed along with cavities made from SRF grade Nb. The flux expulsion and flux trapping sensitivity were measured after successive heat treatments in the range 800 to 1000°C. The flux expulsion from cold-worked fine-grain Nb cavities improves after 800°C/3h heat treatments and it becomes similar to that of standard fine-grain Nb cavities when the heat treatment temperature is higher than 900°C.

Khanal, B. D.↗
DOE OSTI2021

Process-based Neural Network to Forecast Vegetation Dynamics

This white paper calls for an AI-based emulator of DOE’s dynamic vegetation model that is computationally efficient and accommodates/parameterizes the governing processes built in the model. This AI-based emulator is needed for model calibration, sensitivity analysis, prediction, uncertainty quantification, and decision making. This AI-based emulator will incorporate physics and biological information in the form of conservation laws and constitutive relationships.

59 BASIC BIOLOGICAL SCIENCES↗