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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A Simple and Accurate Energy-Detector-Based Transient Waveform Detection for Smart Grids: Real-World Field Data Performance

Integration of distributed energy sources, advanced meshed operation, sensors, automation, and communication networks all contribute to autonomous operations and decision-making processes utilized in the grid. Therefore, smart grid systems require sophisticated supporting structures. Furthermore, rapid detection and identification of disturbances and transients are a necessary first step towards situationally aware smart grid systems. This way, high-level monitoring is achieved and the entire system kept operational. Even though smart grid systems are unavoidably sophisticated, low-complexity algorithms need to be developed for real-time sensing on the edge and online applications to alert stakeholders in the event of an anomaly. In this study, the simplest form of anomaly detection mechanism in the absence of any a priori knowledge, namely, the energy detector (also known as radiometer in the field of wireless communications and signal processing), is investigated as a triggering mechanism, which may include automated alerts and notifications for grid anomalies. In contrast to the mainstream literature, it does not rely on transform domain tools; therefore, utmost design and implementation simplicity are attained. Performance results of the proposed energy detector algorithm are validated by real power system data obtained from the DOE/EPRI National Database of power system events and the Grid Signature Library.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

GLEAM: Galaxy Line Emission & Absorption Modeling

We present Galaxy Line Emission & Absorption Modeling (gleam), a Python tool for fitting Gaussian models to emission and absorption lines in large samples of 1D extragalactic spectra. gleam is tailored to work well in batch mode without much human interaction. With gleam, users can uniformly process a variety of spectra, including galaxies and active galactic nuclei, in a wide range of instrument setups and signal-to-noise regimes. gleam also takes advantage of multiprocessing capabilities to process spectra in parallel. With the goal of enabling reproducible workflows for its users, gleam employs a small number of input files, including a central, user-friendly configuration in which fitting constraints can be defined for groups of spectra and overrides can be specified for edge cases. For each spectrum, gleam produces a table containing measurements and error bars for the detected spectral lines and continuum and upper limits for nondetections. For visual inspection and publishing, gleam can also produce plots of the data with fitted lines overlaid. In the present paper, we describe gleam’s main features, the necessary inputs, expected outputs, and some example applications, including thorough tests on a large sample of optical/infrared multi-object spectroscopic observations and integral field spectroscopic data. gleam is developed as an open-source project hosted at https://github.com/multiwavelength/gleam and welcomes community contributions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Method for dynamic control of light emission from phosphors with heat excitations

An optically emissive material and, in particular, materials for use in single photon generation technologies, have multiple excited energy states that have different decay rates and can emit photons with different properties. A primary excitation radiation source is configured to apply primary radiation to an optically emissive material to excite the optically emissive material into a primary excited state. A secondary excitation radiation source is configured to apply secondary radiation to a thermal contribution material to generate thermal energy in the thermal contribution material. The thermal contribution material is physically configured to transfer thermal energy to the optically emissive material and excite the optically emissive material from the primary excited state to a secondary excited state for dynamic control of the emission rate, or emitted photon properties, of the optically emissive material.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nuclear Qualms Intern Poster

A 2022 Reuters poll found that 45% of Americans support nuclear power, 33% oppose it, and 20% are unsure, with opposers primarily concerned about meltdowns and nuclear waste. Establishing trust with the public has historically been a challenge for the nuclear energy development community. Technical jargon, specialized concepts and popular fictional portrayals are among the barriers to reassuring the public of modern reactor designs’ safety. Using ten letters sent in 1993 to Congress by interest groups and other archival sources, we demonstrate how the public’s misguided nuclear qualms contributed to Congress cancelling the promising Integral Fast Reactor (IFR) project at Argonne National Laboratory West’s (later INL) EBR II reactor in 1994. The decision halted the completion of a groundbreaking technology that cost the world 28 years and counting in lost time to validate and commercialize IFR technology.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

THERMAL STRUCTURAL AND SHOCK EVENT EVALUATIONS OF THE FUELING PELLET INJECTION SYSTEM FOR ITER

The US is among seven partner nations in a collaborative effort to design, build, and demonstrate fusion’s ability to be a large-scale carbon free energy source. Each country has its own Domestic Agencies (DA) that contribute directly to the ITER project. US ITER, which is a DOE Office of Science project managed by Oak Ridge National Laboratory, is developing world class engineering solutions to the design, construction, and assembly of the burning plasma experiment that can demonstrate the scientific and technological feasibility of fusion. US ITER’s scope includes completing the preliminary and final design, qualifying materials and processes for manufacture and testing, executing manufacturing, and delivering the Fueling Pellet Injection System (FPIS) to the ITER site for assembly. The US-ITER FPIS system is designed to inject cryogenically frozen pellets of deuterium-tritium (D-T) into the plasma. The FPIS has two main functions: 1. Provide a steady supply of deuterium and tritium fuel, 2. Mitigating the impact of edge localized modes on the plasma facing components. The FPIS will have the capability to reside in three port cells within a tritium second barrier containment cask. Each pellet cask contains three flight tubes linking with penetrations on the torus cryopump housing and vacuum vessel (VV): two for the magnetic high field side (HFS) pellet injection and one for the magnetic low field side (LFS) pellet injection. This paper presents results of the thermal-structural analyses of the FPIS flight tube structural components when subjected to various loads such as electromagnetic (EM) loads, nuclear heating, seismic, and operational, and dynamic shock events. The resulting temperatures and stresses under combined conditions have been found to satisfy the design criteria to ensure safe and reliable operation of the FPIS flight tubes within the vacuum vessel.

Martinez, Oscar↗
DOE OSTI2025

Building collaboration to advance our understanding of regional climate impacts of dust in California's San Joaquin Valley

This project successfully achieved its central objective of building collaborative research capabilities at UC Merced, a Hispanic-Serving Institution, to advance understanding of the regional climate impacts of dust in California's San Joaquin Valley. Through strategic partnerships with three DOE national laboratories (PNNL, LLNL, and LBNL), we developed critical expertise in the Energy Exascale Earth System Model (E3SM) and Atmospheric Radiation Measurement (ARM) facilities. Among the project's scientific contributions, one key publication includes demonstrating that fallowed agricultural lands are the primary source of anthropogenic dust in California's Central Valley, with dust activities increasing substantially between 2008 and 2022, in correlation with drought severity and expanded fallowed land coverage. This finding suggests that current climate models, including E3SM, likely underestimate the dust burden due to inadequate representation of agricultural land-use changes. Beyond the scientific contributions, the project successfully trained a PhD student, established ongoing collaborations resulting in multiple manuscripts in preparation, and positioned UC Merced to participate in the DUSTIEAIM campaign for 2026-2027, thereby building sustainable research capacity while addressing climate science questions directly relevant to the California Central Valley.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Predictive performance of multi-model ensemble forecasts of COVID-19 across European nations

Background: Short-term forecasts of infectious disease burden can contribute to situational awareness and aid capacity planning. Based on best practice in other fields and recent insights in infectious disease epidemiology, one can maximise the predictive performance of such forecasts if multiple models are combined into an ensemble. Here, we report on the performance of ensembles in predicting COVID-19 cases and deaths across Europe between 08 March 2021 and 07 March 2022. Methods: We used open-source tools to develop a public European COVID-19 Forecast Hub. We invited groups globally to contribute weekly forecasts for COVID-19 cases and deaths reported by a standardised source for 32 countries over the next 1–4 weeks. Teams submitted forecasts from March 2021 using standardised quantiles of the predictive distribution. Each week we created an ensemble forecast, where each predictive quantile was calculated as the equally-weighted average (initially the mean and then from 26th July the median) of all individual models’ predictive quantiles. We measured the performance of each model using the relative Weighted Interval Score (WIS), comparing models’ forecast accuracy relative to all other models. We retrospectively explored alternative methods for ensemble forecasts, including weighted averages based on models’ past predictive performance. Results: Over 52 weeks, we collected forecasts from 48 unique models. We evaluated 29 models’ forecast scores in comparison to the ensemble model. We found a weekly ensemble had a consistently strong performance across countries over time. Across all horizons and locations, the ensemble performed better on relative WIS than 83% of participating models’ forecasts of incident cases (with a total N=886 predictions from 23 unique models), and 91% of participating models’ forecasts of deaths (N=763 predictions from 20 models). Across a 1–4 week time horizon, ensemble performance declined with longer forecast periods when forecasting cases, but remained stable over 4 weeks for incident death forecasts. In every forecast across 32 countries, the ensemble outperformed most contributing models when forecasting either cases or deaths, frequently outperforming all of its individual component models. Among several choices of ensemble methods we found that the most influential and best choice was to use a median average of models instead of using the mean, regardless of methods of weighting component forecast models. Conclusions: Our results support the use of combining forecasts from individual models into an ensemble in order to improve predictive performance across epidemiological targets and populations during infectious disease epidemics. Our findings further suggest that median ensemble methods yield better predictive performance more than ones based on means. Our findings also highlight that forecast consumers should place more weight on incident death forecasts than incident case forecasts at forecast horizons greater than 2 weeks. Funding: AA, BH, BL, LWa, MMa, PP, SV funded by National Institutes of Health (NIH) Grant 1R01GM109718, NSF BIG DATA Grant IIS-1633028, NSF Grant No.: OAC-1916805, NSF Expeditions in Computing Grant CCF-1918656, CCF-1917819, NSF RAPID CNS-2028004, NSF RAPID OAC-2027541, US Centers for Disease Control and Prevention 75D30119C05935, a grant from Google, University of Virginia Strategic Investment Fund award number SIF160, Defense Threat Reduction Agency (DTRA) under Contract No. HDTRA1-19-D-0007, and respectively Virginia Dept of Health Grant VDH-21-501-0141, VDH-21-501-0143, VDH-21-501-0147, VDH-21-501-0145, VDH-21-501-0146, VDH-21-501-0142, VDH-21-501-0148. AF, AMa, GL funded by SMIGE - Modelli statistici inferenziali per governare l'epidemia, FISR 2020-Covid-19 I Fase, FISR2020IP-00156, Codice Progetto: PRJ-0695. AM, BK, FD, FR, JK, JN, JZ, KN, MG, MR, MS, RB funded by Ministry of Science and Higher Education of Poland with grant 28/WFSN/2021 to the University of Warsaw. BRe, CPe, JLAz funded by Ministerio de Sanidad/ISCIII. BT, PG funded by PERISCOPE European H2020 project, contract number 101016233. CP, DL, EA, MC, SA funded by European Commission - Directorate-General for Communications Networks, Content and Technology through the contract LC-01485746, and Ministerio de Ciencia, Innovacion y Universidades and FEDER, with the project PGC2018-095456-B-I00. DE., MGu funded by Spanish Ministry of Health / REACT-UE (FEDER). DO, GF, IMi, LC funded by Laboratory Directed Research and Development program of Los Alamos National Laboratory (LANL) under project number 20200700ER. DS, ELR, GG, NGR, NW, YW funded by National Institutes of General Medical Sciences (R35GM119582; the content is solely the responsibility of the authors and does not necessarily represent the official views of NIGMS or the National Institutes of Health). FB, FP funded by InPresa, Lombardy Region, Italy. HG, KS funded by European Centre for Disease Prevention and Control. IV funded by Agencia de Qualitat i Avaluacio Sanitaries de Catalunya (AQuAS) through contract 2021-021OE. JDe, SMo, VP funded by Netzwerk Universitatsmedizin (NUM) project egePan (01KX2021). JPB, SH, TH funded by Federal Ministry of Education and Research (BMBF; grant 05M18SIA). KH, MSc, YKh funded by Project SaxoCOV, funded by the German Free State of Saxony. Presentation of data, model results and simulations also funded by the NFDI4Health Task Force COVID-19 ( https://www.nfdi4health.de/task-force-covid-19-2 ) within the framework of a DFG-project (LO-342/17-1). LP, VE funded by Mathematical and Statistical modelling project (MUNI/A/1615/2020), Online platform for real-time monitoring, analysis and management of epidemic situations (MUNI/11/02202001/2020); VE also supported by RECETOX research infrastructure (Ministry of Education, Youth and Sports of the Czech Republic: LM2018121), the CETOCOEN EXCELLENCE (CZ.02.1.01/0.0/0.0/17-043/0009632), RECETOX RI project (CZ.02.1.01/0.0/0.0/16-013/0001761). NIB funded by Health Protection Research Unit (grant code NIHR200908). SAb, SF funded by Wellcome Trust (210758/Z/18/Z).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Enzyme-assisted liquefaction for different fractions of corn stover pellets

With an increase in population, the world will depend on renewable sources to meet the increasing energy needs. The use of lignocellulosic biomass as a renewable source has been proven efficient for conversion to cellulosic ethanol and capable of contributing to thresholds for energy demand while reducing greenhouse gases by 90% when compared with fossil fuels. However, limitations in feeding and flow within biorefineries are encountered when system plugging occurs due to biomass compaction and a high yield stress for slurries formed during its processing. Furthermore, differences in the biomass source present a challenge to the continuity of operations and reliability in the process. This work explores enzyme-assisted liquefaction for solid loadings up to 30% as an alternative for the creation of slurry from two different types of biomass (pelleted corn stover and cobs) that were liquefied in a fed-batch process using commercial enzymes Celluclast 1.5L or Ctec-2 at 1FPU/g or 3 FPU/g of dry solids in a 10 mM sodium citrate buffer solution (pH 4.8). Pellets were fed into a 1 L stirred bioreactor according to a predefined fed-batch protocol during the first 5 hours until 30% solid loading was reached. After 6, 24 and 96 hours, samples were taken and characterized with respect to their composition, rheology, and water absorption. Successful slurry creation with dramatically reduced yield stress was achieved for corn stover for both enzymes assessed. Yield stresses of 178±7 Pa (3 FPU, Celluclast 1.5L) and 79±6 Pa (3 FPU, Ctec-2) were measured for corn stover at 24 hours, compared to 6,000 Pa for samples without enzyme. Yield stress was 155± 29 Pa (3FPU, Ctec-2) and 257 ± 72 Pa (1 FPU, Celluclast 1.5L) for corn cobs at 24 hours. A profile for 6, 24 and 96h of yield stress measurements and sugar conversion is presented.

Gutierrez, Diana↗
DOE OSTI2024

Stress Dependency of Brittle Creep in Granite: Insights into Source Mechanisms and Parameters

Creep in rocks refers to the gradual deformation of rock material over time under the influence of constant stress. Characterizing these deformations is of great importance for engineering design, geotechnical assessment, mining operations, geological studies, and understanding natural hazards. While laboratory experiments and a variety of numerical approaches have offered explanations for microcrack interaction and damage accumulation under the three stages of creep (primary, secondary and tertiary) in conventional creep experiments, the micromechanisms of the fractures produced in brittle creep and its dependency on the applied stress have not been explored in detail. The present study focused on investigating the fracturing mechanisms that occur during creep-induced fracturing at different stress levels and estimation of the source parameters and energy budget components. A series of uniaxial compression creep experiments have been conducted at different stress level ratios (70%, 75%, 80% and 85%), to the unconfined compressive strength (UCS) of double-flawed Barre granite specimen. Creep measurements were complemented with the Acoustic Emission (AE) measurements. The creep-induced fractures were classified into double-couple (DC), compensated linear vector dipole (CLVD) and isotropic (ISO) components using the AE moment tensor decomposition technique. The results show that non-double-couple sources dominated during creep at all the specified stress levels; however, their proportions decreased as the stress level was increased. The source parameters estimation indicated a significant increase in the magnitude of the events and the radiated seismic energy with increasing levels of stress and a slight increase in the evaluated source radius and stress drop with increasing stress levels. Furthermore, this study contributes to the existing knowledge of creep-induced fracturing by providing insights into the fracturing mechanisms and the radiated seismic energy produced, which can be helpful for the development of improved models and strategies for rock engineering and geoscience applications.

58 GEOSCIENCES↗
DOE OSTI2023

Moisture sources for precipitation variability over the Arabian Peninsula

Abstract We apply the Lagrangian-based moisture back trajectory method to two reanalysis datasets to determine the moisture sources for wet season precipitation over the Arabian Peninsula, defined as land on the Asian continent to the south of the Turkish border and west of Iran. To accomplish this, we make use of the evaporative source region between 65°W–120°E and 30°S–60°N, which is divided into twelve sub-regions. Our comparison of reanalyses and multiple observations allows us to validate datasets and highlight broad-scale similarities in characteristics, notwithstanding some inconsistencies in the southwest AP. The results indicate north-to-south spatiotemporal heterogeneity in the characteristics of dominant moisture sources. In the north, moisture for precipitation is mainly sourced from midlatitude land and water bodies, such as the Mediterranean and Caspian Seas. Areas further south are dependent on moisture transport from the Western Indian Ocean and parts of the African continent. The El Niño-Southern Oscillation (ENSO) exhibits an overall positive but sub-seasonally varying influence on the precipitation variability over the region, with noticeable moisture anomalies from all major source regions. A significant drying trend exists over parts of the Peninsula, which both reanalyses partially attribute to anomalies in the moisture advection from the Congo Basin and South Atlantic Ocean. However, considerable uncertainty in evaporation trends over the terrestrial evaporative sources in observations warrants additional modeling studies to further our understanding of key processes contributing to the negative trends.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

High-contrast, convergent x-ray imaging with laser-Compton sources

Techniques are provided for the production of high-contrast, x-ray and/or gamma-ray radiographic images. The images have minimal contributions from object-dependent background radiation. The invention utilizes the low divergence, quasi-monoenergetic, x-ray or gamma-ray output from a laser-Compton source in combination with x-ray optical technologies to produce a converging x-ray or gamma-ray beam with which to produce a high-contrast, shadowgraph of a specific object. The object to be imaged is placed within the path of the converging beam between the x-ray optical assembly and the focus of the x-ray beam produced by that assembly. The beam is then passed through an optically thick pinhole located at the focus of the beam. Downstream of the pinhole, the inverted shadowgraph of the object is then recorded by an appropriate 2D detector array.

Barty, Christopher P. J.↗
DOE OSTI2021

Development of Heterogeneous Ice Nucleation Rate Coefficient Parameterizations From Ambient Measurements

Ice nucleating particles (INPs) are a rare subset of particles that can have an outsized impact relative to their prevalence. To simulate INP variability, models require parameterizations for the most important sources of INPs. Most parameterizations in the literature were developed from laboratory experiments that used proxies for ambient particles. Whether these laboratory models effectively represent ambient aerosol is still not well understood and parameterizations developed from field measurements may be more atmospherically relevant. Expanding on previous work in which we used an ice chamber and a single-particle mass spectrometer (SPMS) to characterize INP composition, we calculate heterogeneous ice nucleation rate coefficients for ambient particles. We find good agreement between our dust and previous measurements of airborne dust. We also use a Monte Carlo approach to assess the relative contribution of each measurement to the uncertainty and find that the biggest source is the sampling efficiency of the SPMS.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A Scalable Process for Upcycling Carbon Dioxide (CO 2 ) and Coal Combustion Residues into Construction Products

Anthropogenic sources of carbon dioxide are generated from a number of sources, but the key among these are ordinary Portland cement (OPC) production and combustion of fossil fuels. Cement production is the largest global CO 2 source from the mineral decomposition of carbonates. Combination of the limestone decomposition and thermal requirements of the clinkering process causes cement production to contribute 8-9% of annual global CO 2 emissions. Combustion of fossil fuels (coal, oil and gas) was shown to contribute a much larger portion of global CO 2 emissions. As of 2018, combustion of fossil fuels accounted for 65% of global CO 2 , where 41% was derived from stationary sources for electricity and heat generation and the other 24% was related to transport. To reduce these contributions, key steps forward in CO 2 utilization technologies are required. The purpose of this project is to demonstrate the feasibility of the Reversa process evolving from a TRL-3 technology at the bench-scale up to TRL-6 technology at the pilot-scale. The reliability of the Reversa technology was tested to prove the effective production of concrete masonry units (CMUs) at bench scale, where the units exceeded the required 13.8 MPa compressive strength requirements. The overall goal of this project was to accelerate the development of a CO 2 mineralization process that synergistically utilizes CO 2 in flue gas and coal combustion residues (CCRs) to synthesize carbonated concrete, a functional replacement for traditional concrete. The culmination of this work resulted in 12 successful production runs at the Integrated Test Center (ITC), Gillette, WY using coal flue gas as a CO 2 source. This was followed by 6 production runs which were completed at the National Carbon Capture Center (NCCC), Wilsonville, AL, using coal-fired and natural gas (NG) flue gas as the CO 2 source. Over the course of the production runs at NCCC and ITC, the CO 2 utilization as a function of time, 24-h CO 2 uptake, electricity usage, and 28-d net area compressive strength recorded for each run. The ITC and NCCC demonstrations achieved an average of 0.19 and 0.1 g CO 2 /g reactant, respectively. Both demonstrations exceeded the project’s target goals of uptake > 0.05 g CO 2 /g reactant. Average compressive strength of the ITC blocks was 18.24 MPa at 28-days. This exceeded the target strength of 13.8 MPa specified by ASTM C90. ITC and NCCC produced an average CO 2 utilization efficiency of 74.9 and 57.9%, respectively. Both demonstration averages were within the target range of 50 to 90% utilization efficiency. For some production runs the NCCC demo did exceeded the a CO 2 utilization efficiency of 75%. An LCA of the Reversa process compared to an industry standard product revealed a net CO 2 reduction of 39% to 42%. This exceeded the target requirement of >25% net CO 2 reduction. Collection of this data was used to determine that the project was successful as the demonstration goals were achieved: (1) achieving in excess of 75% CO 2 utilization efficiency, (2) utilizing greater than 250 kg of CO 2 per production batch/run, and (3) ensuring compliance of carbonated blocks with industry standard specifications (ASTM C90).

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

Changes in atmospheric circulation amplify extreme snowfall fueled by Arctic sea ice loss over high-latitude land

Arctic sea-ice retreat has been linked to increased winter precipitation and heavy snowfall over land, likely due to a combination of enhanced evaporation from ice-free Arctic marginal seas (AMS) and changes in atmospheric circulation. However, their relative roles and contributions remain uncertain. Here, we show that a greater proportion of AMS evaporative moisture reached high-latitude land during the cold seasons from 1980–1989 to 2012–2021. Atmospheric circulation changes added an additional 13 % increase in the AMS moisture contribution, accounting for 11 % of the total increase in AMS-sourced land precipitation. Notably, 46 % of the increase in AMS-sourced extreme snowfall is attributed to circulation-driven landward moisture transport, representing an 84 % increase beyond the effect of enhanced AMS evaporation alone. Further analysis indicates that both the rise in Arctic moisture and the atmospheric circulation shifts are primarily driven by anthropogenic forcing. These findings highlight how atmospheric circulation changes amplify extreme snowfall fueled by AMS evaporation, underscoring the synergistic effects of Arctic sea ice loss and circulation change on high-latitude winter precipitation.

Anthropogenic forcing↗
DOE OSTI2024

Enzymatic Routes to Designer Hemicelluloses for Use in Biobased Materials

Various enzymes can be used to modify the structure of hemicelluloses directly in vivo or following extraction from biomass sources, such as wood and agricultural residues. Generally, these enzymes can contribute to designer hemicelluloses through four main strategies: (1) enzymatic hydrolysis such as selective removal of side groups by glycoside hydrolases (GH) and carbohydrate esterases (CE), (2) enzymatic cross-linking, for instance, the selective addition of side groups by glycosyltransferases (GT) with activated sugars, (3) enzymatic polymerization by glycosynthases (GS) with activated glycosyl donors or transglycosylation, and (4) enzymatic functionalization, particularly via oxidation by carbohydrate oxidoreductases and via amination by amine transaminases. Thus, this Perspective will first highlight enzymes that play a role in regulating the degree of polymerization and side group composition of hemicelluloses, and subsequently, it will explore enzymes that enhance cross-linking capabilities and incorporate novel chemical functionalities into saccharide structures. These enzymatic routes offer a precise way to tailor the properties of hemicelluloses for specific applications in biobased materials, contributing to the development of renewable alternatives to conventional materials derived from fossil fuels.

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

Observation and Simulation of Methane Plumes During the Morning Boundary Layer Transition

Abstract Methane (CH 4 ) contributes significantly to global warming. However, accurate identification of CH 4 sources for reducing CH 4 emissions is often hampered by inadequate accuracy and spatiotemporal coverage of CH 4 detection, and lack of accurate CH 4 forward modeling used in top‐down inversion systems. In this study, a field experiment was conducted in Pampa, Texas using two CH 4 sensors (LI‐COR and OGI camera) to detect CH 4 releases. We investigated whether high‐resolution simulations using the Weather Research and Forecasting (WRF) model with greenhouse gases (WRF‐GHG) could accurately simulate the CH 4 plumes in the presence of evolving atmospheric boundary layer from sunrise to noon. CH 4 plumes showed substantial variation in time. At a release rate of ∼17.5 kg hr −1 , the maximum enhancement of CH 4 measured by LI‐COR was 2.6 ppm at sunrise (7:36 a.m.), 250 m from the release location. Within half an hour after sunrise, this enhancement decreased to 0.3–0.4 ppm. The enhancement was 0.2 ppm by 10:00 a.m. and further dropped to less than 0.1 ppm after 11:30 a.m. Due to the low temperature at sunrise, the OGI camera failed to detect the CH 4 plume. The WRF‐GHG large‐eddy simulation (LES) with 32 m grid spacing successfully reproduced these CH 4 enhancements. In situ measurements together with numerical simulations illustrate the impact of the transition from a stable boundary layer in the early morning to a convective boundary layer at noon on the dispersion of CH 4 plumes. Additionally, CH 4 plumes from a cattle farm in Oklahoma are briefly examined using the same modeling approach.

Hu, Xiao‐Ming [Center for Analysis and Prediction ↗
DOE OSTI2025

Water flipping and the oxygen evolution reaction on Fe 2 O 3 nanolayers

Hematite photoanodes are promising for the oxygen evolution reaction, however, their high overpotential (0.5-0.6 V) for water oxidation and limited photocurrent make them economically unviable at present. The work needed to orient dipoles at an electrode surface may be an overlooked contribution to the overpotential, especially regarding dipoles of water, the electron source in the oxygen evolution reaction (OER). Here, we employ second harmonic amplitude and phase measurements to quantify the number of net-aligned Stern layer water molecules and the work associated with water flipping, on hematite, an earth abundant OER semiconductor associated with a high overpotential. At zero applied bias, the pH-dependent potentials for Stern layer water molecule flipping exhibit Nernstian behavior. At positive applied potentials and pH 13, approximately one to two monolayers of water molecules points the oxygen atoms towards the electrode, favorable for the OER. The work associated with water flipping matches the cohesive energy of liquid water (44 kJ mol -1 ) and the OER current density is highest. This current is negligible at pH 5, where the work approaches 100 kJ mol -1 . Our findings suggest a causal relationship between the need for Stern layer water flipping and the OER overpotential, which may lead to developing strategies for decreasing the latter.

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

Single-particle chemical analysis reveals organic-rich detonation soot products

The detonation of high explosives produces a wide variety of particulate matter (PM) with distinct properties, not all of which are traditionally studied for chemical composition, formation processes, and forensic applications. We report particle-resolved measurements of Composition B detonation soot using soot particle aerosol mass spectrometry (SP-AMS), identifying carbonaceous species and metals not previously characterized on a single-particle basis. Results are combined with scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS) to enhance source-dependent signatures. Black carbon, including graphitic carbon and detonation nanodiamonds, contributed 50.5-71.4% of PM 2.5 mass, while 22.5-43.4% was non-refractory organic carbon, a previously overlooked component that exhibited a complex and varying composition. Detonations were performed with and without PMMA confinement and under steady and overdriven conditions. Distinct particles enriched with polycyclic aromatic hydrocarbons (PAHs) were observed in experiments utilizing confinement, with quantities dependent on manufacturing method. SEM-EDS validated SP-AMS findings of metals internally mixed with carbonaceous species and extended the particle size range to 100 µm. This work makes detecting non-refractory organics using single-particle techniques more feasible for detonation forensics and understanding high-energy soot formation. While this analysis uses offline sample collection, SP-AMS could be deployed for in-situ measurements of detonation PM 2.5 transported in the atmosphere.

36 MATERIALS SCIENCE↗