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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Field validation of dynamic mechanical torque measurements using fiber-optic strain sensors for geared wind turbines

Abstract Accurate knowledge of the mechanical loads of wind turbine gearboxes has become essential in modern, highly loaded gearbox designs, as maintaining or even improving gearbox reliability with increasing torque density demands is proving to be challenging. Unfortunately, the traditional method of measuring dynamic mechanical torque using strain gauges placed on the outer surface of a rotating shaft and transmitting the resulting signal is unsuitable for serial deployment due to technical and economic constraints. An alternative method based on fiber-optic strain sensors placed on the stationary outer surface of the gearbox ring gear has been proposed. Like shaft torsion, the radial deformation of the ring gear is proportionate to the rotor torque. Placing the sensors on a stationary component is a cost-effective alternative for serial implementation because the need for complex and expensive data transfer via wireless transmission or a slip ring is eliminated. In this paper, we present the results of an extensive field experiment conducted to evaluate the torque measurement accuracy of this novel sensing solution installed on the gearbox of a Gamesa G97 2-MW wind turbine at the National Renewable Energy Laboratory’s Flatirons Campus. Torque measurements derived from fiber-optic strain sensors placed on the ring gear of the planetary stage are compared to conventional torque measurements from strain gauges placed on the main shaft. Two different torque estimation data processing methods were evaluated, with the method based on operational deflection shapes providing the most accurate results with an average normalized root mean square error below 0.7% for a load revolution distribution analysis. The effect of operating conditions on the torque estimate was also investigated, and the third planet-passing operational deflection shape was found to be the least sensitive to nontorque load-related effects. The fiber-optic strain sensors’ successful operation during the complete test campaign has demonstrated a robust and accurate solution for fleet-wide enhanced gearbox remaining useful life estimation.

17 WIND ENERGY↗
DOE OSTI2025

SUDA: A SUrface Dust Analyser for Compositional Mapping of the Galilean Moon Europa

Abstract The Surface Dust Analyser (SUDA) is a mass spectrometer onboard the Europa Clipper mission for investigating the surface composition of the Galilean moon Europa. Atmosphereless planetary moons such as the Galilean satellites are wrapped into a ballistic dust exosphere populated by tiny samples from the moon’s surface produced by impacts of fast micrometeoroids. SUDA will measure the composition of such surface ejecta during close flybys of Europa to obtain key chemical signatures for revealing the satellite’s composition such as organic molecules and salts, history, and geological evolution. Because of their ballistic orbits, detected ejecta can be traced back to the surface with a spatial resolution roughly equal to the instantaneous altitude of the spacecraft. SUDA is a Time-Of-Flight (TOF), reflectron-type impact mass spectrometer, optimized for a high mass resolution which only weakly depends on the impact location. The instrument will measure the mass, speed, charge, elemental, molecular, and isotopic composition of impacting grains. The instrument’s small size of$268 ~\mathrm {mm} \times 250 ~\mathrm {mm} \times 171$ 268 mm × 250 mm × 171 $~\mathrm {mm}$ mm , radiation-hard design, and rather large sensitive area of 220 cm 2 matches well the challenging demands of the Clipper mission.

Astronomy & Astrophysics↗
DOE OSTI2025

The Psyche Gamma-Ray and Neutron Spectrometer

A Gamma-Ray and Neutron Spectrometer (GRNS) instrument has been developed as part of the science payload for NASA’s Discovery Program Psyche mission to the M-class asteroid (16) Psyche. The GRNS instrument is designed to measure the elemental composition of Psyche with the goal to understand the origin of this mysterious, potentially metal-rich planetary body. The GRNS will measure the near-surface abundances for the elements Ni, Fe, Si, K, S, Al, and Ca, as well as the spatial distribution of Psyche’s metal-to-silicate fraction (or metal fraction). These measurements address three of the five Psyche mission science objectives: determine if Psyche is a core; determine whether small metal bodies incorporate light elements into the metal phase; and determine whether Psyche was formed under reducing conditions. The Gamma-Ray Spectrometer (GRS) uses a cryocooled, high-purity Ge (HPGe) sensor to detect cosmic-ray generated gamma rays in the 60 to 9000-keV energy range. The HPGe sensor is surrounded by a borated plastic anticoincidence shield that provides three functions: active background rejection from charged particle interactions in the HPGe sensor; fast neutron measurements; and direct measurements of the incident galactic cosmic ray flux. The Neutron Spectrometer (NS) uses three 3 He gas proportional sensors, each with different material wraps to measure thermal (<0.4 eV), low-energy epithermal (0.4 eV to 1 keV), and high-energy epithermal (up to 100 keV) neutrons. This paper provides an overview of the Psyche GRNS, including: its science and measurement objectives; the design of the instrument hardware, software, and operation; pre-launch performance measurements and its initial performance in space; and an overview of its data products and expected operation for different Psyche mission phases.

Engineering - Instrumentation related to nuclear s↗
DOE OSTI2025

Initial Conditions of Planet Formation: Time Constraints from Small Bodies and the Lifetime of Reservoirs in the Solar Protoplanetary Disk

This review explores the timescales of the initial phase of planet formation, from nebular dust (CAIs and chondrules) to planetesimal accretion and differentiation, using evidence from meteorite research. Aluminium-Mg systematics of CAIs indicate either an extended period of CAI formation (∼0.3 Ma) or an initial 26 Al heterogeneity, with evidence supporting a homogeneous 26 Al abundance in the protoplanetary disk. Thermal and aqueous alteration on the parent body can disturb the U-Pb and Al-Mg chronometers in chondrules. Focusing on relatively robust isochron data from plagioclase of pristine (types ≤3.05) chondrites indicates a shift in chondrule formation locations, moving from the inner to the outer disk over time. Ages of basaltic achondrites show that silicate differentiation on small bodies was well underway within the first few million years (Ma) of our solar system. Their age record, however, reveals inconsistencies between different chronometers, partly caused by (i) secondary disturbances due to thermal metamorphism, aqueous alteration, or impacts, (ii) the presence of xenolithic minerals, and (iii) potentially variable initial 26 Al abundances due to disturbances at the mineral scale. Nucleosynthetic isotope data indicate that parent bodies of iron and stony meteorites formed in two distinct regions within the protoplanetary disk: the inner, non-carbonaceous (NC) and the outer, carbonaceous (CC) region. Based on Hf-W chronometry it has been demonstrated that NC and CC parent bodies of magmatic iron meteorites segregated their cores within ∼1–3 Ma after CAI formation, implying that parent body accretion occurred within <1 Ma in both reservoirs. Combining accretion ages with nucleosynthetic data further reveals that, at first order, NC and CC reservoirs in the solar protoplanetary disk were established within 1 Ma and existed over several Ma with limited exchange between them. In the CR chondrite accretion region of the disk, planetary bodies formed over at least 3 Ma, while in most other regions, formation spanned at least 1 Ma, with minimal changes in nucleosynthetic isotope compositions. Aerodynamical size sorting of dust likely introduced or amplified some of these variations.

26Al distribution↗
DOE OSTI2026

Enhanced accuracy through ensembling of randomly initialized auto-regressive models for dynamical systems

Computational mechanics simulations using traditional finite element methods (FEM) require prohibitively expensive computational resources for real-time engineering applications, design optimization, and digital twin implementations. While machine learning (ML) surrogate models offer significant computational speedups, autoregressive ML models for time-dependent mechanical systems suffer from error accumulation that compromises long-term prediction reliability - a critical concern for engineering applications where accuracy over extended time horizons is essential for safety and performance assessments. Here, we propose a deep ensemble framework specifically designed to address this challenge in computational mechanics applications, where multiple ML surrogate models with random weight initializations are trained in parallel and their predictions aggregated during inference. This approach leverages statistical diversity to maximize information gain from a fixed set of training data and to mitigate error propagation, while maintaining the computational efficiency that makes ML surrogates attractive for engineering practice. We validate the framework on three representative problems spanning critical areas of computational mechanics: stress field evolution in heterogeneous microstructures under complex loading (relevant to advanced materials design and composite analysis), planetary-scale shallow water dynamics (applicable to environmental and geotechnical engineering), and Gray-Scott reaction-diffusion systems (relevant to mass transport and chemical process engineering). Across all test cases, the ensemble approach demonstrates consistent error reduction of 15-33% compared to individual models. The codes for this work are available on GitHub (https://github.com/Graham-Brady-Research-Group/AutoregressiveEnsemble_SpatioTemporal_Evolution).

autoregressive prediction↗
DOE OSTI2025

Quantifying Uncertainties in Modeling Wind Resource Data from Different PBL Schemes in the WRF Model: A Case Study Over the Puerto Rico Region

This study examines the modeling uncertainty of wind resource data stemming from the use of various planetary boundary layer (PBL) parameterizations available in the Weather Research and Forecasting (WRF) model. WRF-based wind simulations spanning 20 years at 3-km resolution using 11 different PBL schemes are used to objectively investigate the uncertainty in modeling wind speed for land-based wind (LBW) and offshore wind (OSW) locations in Puerto Rico. The uncertainty in the wind modeling for the 20-year dataset is quantified using the spread index (SI) and standard deviation (SD). For virtual LBW and OSW sites, the SI and SD values are analyzed as calculated across various spatial and temporal scales. Because the PBL's atmospheric stability conditions can be characterized into two dominant categories, the study focuses on analyzing the SI and SD for daytime (mainly unstable PBL conditions) and nighttime (mainly stable PBL conditions). For wind shear (10 m-200 m) at the OSW and LBW sites, WRF-based numerical experiments indicate the following SI (or SD) ranges: 39%-94% (0.74 m/s-1.44 m/s) during the daytime for OSW, 50%-75% (0.68 m/s-1.19 m/s) during the daytime for LBW, 37%-60% (0.73 m/s-1.12 m/s) during the nighttime for OSW, and 57%-143 % (0.65 m/s-1.43 m/s) during the nighttime for LBW. While a high SI is observed when modeling LBW during the nighttime, there are notable modeling uncertainties during the daytime on the leeward side of the orographic barriers for Puerto Rico.

17 WIND ENERGY↗
DOE OSTI2025

Ten questions concerning housing sufficiency

Housing sufficiency is an emerging concept in the provision of environmentally sustainable housing. It aims for demand-side strategies that reduce excessive, aggregate consumption levels to promote efficient resource utilization and sustainability in the construction sector while providing everyone with a decent standard of housing. However, it is challenging to implement as it interferes with housing-related social and cultural norms. This paper poses and answers ten questions that highlight the challenges, opportunities, and examples of sufficiency strategies in the context of housing provision and the environmental crisis. Question 1 discusses the need for sufficiency as a tool to complement supply-side strategies including efficiency and renewable energy strategies in providing housing. Question 2 examines the concept of housing sufficiency from different perspectives, such as ecological economics and social ecology. Question 3 summarizes the methods used to measure housing sufficiency, with specific focus on the upper and lower limits that respect planetary boundaries and basic human needs. Questions 4 and 5 describe the benefits, potential drawbacks, and rebound effects of housing sufficiency. Questions 6 and 7 examine housing sufficiency in developed and developing countries, respectively. Questions 8 and 9 discuss design strategies, housing occupancy, and tenure models that are needed for housing sufficiency. Finally, Question 10 provides a of policies and regulations that are needed to systematically support the implementation of sufficiency strategies. The questions and answers provide insights for wider application of housing sufficiency in research and practice.

Arceo, Aldrick↗
DOE OSTI2024

MITgcm-AD v2: Open source tangent linear and adjoint modeling framework for the oceans and atmosphere enabled by the Automatic Differentiation tool Tapenade

The Massachusetts Institute of Technology General Circulation Model (MITgcm) is widely used by the climate science community to simulate planetary atmosphere and ocean circulations. A defining feature of the MITgcm is that it has been developed to be compatible with an algorithmic differentiation (AD) tool, TAF, enabling the generation of tangent-linear and adjoint models. These provide gradient information which enables dynamics-based sensitivity and attribution studies, state and parameter estimation, and rigorous uncertainty quantification. Importantly, gradient information is essential for computing comprehensive sensitivities and performing efficient large-scale data assimilation, ensuring that observations collected from satellites and in-situ measuring instruments can be effectively used to optimize a large uncertain control space. As a result, the MITgcm forms the dynamical core of a key data assimilation product employed by the physical oceanography research community: Estimating the Circulation and Climate of the Ocean (ECCO) state estimate. Although MITgcm and ECCO are used extensively within the research community, the AD tool TAF is proprietary and hence inaccessible to a large proportion of these users. The new version 2 (MITgcm-AD v2) framework introduced here is based on the source-to-source AD tool Tapenade, which has recently been open-sourced. Another feature of Tapenade is that it stores required variables by default (instead of recomputing them) which simplifies the implementation of efficient, AD-compatible code. The framework has been integrated with the MITgcm model’s main branch and is now freely available.

Adjoints↗
DOE OSTI2025

Comparison of the earliest NC and CC planetesimals: Evidence from ungrouped iron meteorites

Isotope anomalies in meteorites reveal a fundamental dichotomy between Non-Carbonaceous- (NC) and Carbonaceous-type (CC) planetary bodies. Until now, this dichotomy is established for the major meteorite groups, representing about 36 distinct parent bodies. Ungrouped meteorites represent an even larger number of additional parent bodies, but whether they conform to the overall NC-CC dichotomy is unknown. Here, the genetics and chronology of 26 ungrouped iron meteorites are considered through nucleosynthetic Mo and radiogenic W isotopic compositions. Secondary cosmic ray-induced modifications of these isotope compositions are corrected using Pt isotope measurements on the same samples. We find that all of the ungrouped irons have Mo isotope anomalies within the range of the major meteorite groups and confirm the NC-CC dichotomy for Mo, where NC and CC meteorites define two distinct, subparallel s-process mixing lines. All ungrouped NC irons fall on the NC-line, which is now precisely defined for 41 distinct parent bodies. The ungrouped CC irons show scatter around the CC-line indicative of small r-process Mo heterogeneities among these samples. These r-process Mo isotope variations correlate with O isotope anomalies, most likely reflecting mixing of CI chondrite-like matrix, chondrule precursors, and Ca-Al-rich inclusions. This implies that CC iron meteorite parent bodies accreted the same nebular components as the later-formed carbonaceous chondrites. The Hf-W model ages of core formation for the ungrouped irons overlap with those of the iron meteorite groups from each reservoir and reveal a narrow age peak at ∼3.3 Ma after Ca-Al-rich inclusions for the CC irons. By contrast, the NC irons display more variable ages, including younger ages indicative of impact-induced melting events, which seem absent among the CC irons. This is attributed to the more fragile and porous nature of the CC bodies, making impact-induced melting on their surfaces difficult. The chemical characteristics of all iron meteorites together reveal slightly more oxidizing conditions during core formation for CC compared to NC irons. More strikingly, strong depletions in moderately volatile elements, typical of many iron meteorite parent bodies, predominantly occur among CC irons, for reasons that remain unclear at present.

Chondrite components↗
DOE OSTI2025

Earthquake detection in a simulated lunar regolith using distributed acoustic sensing

Current models of inner lunar geology have largely been inferred from the seismic experiments and observations performed during the Apollo missions that comprised a relatively small number of seismic instruments. Refining constraints on fundamental lunar relationships such as crust-mantle and mantle-core boundaries in the future will require seismic arrays spanning larger epicentral distances. A promising technology for installing dense seismic arrays with minimal human effort is distributed acoustic sensing (DAS), an approach that allows a single length of fiber optic cable to act as hundreds or thousands of sensors when coupled with a DAS interrogator. While terrestrial uses of DAS technology for seismic monitoring rely on burying the cable to maximize fidelity of seismic signal transmission to the fiber, digging meters of trench to bury optical fiber on lunar or planetary surfaces is logistically infeasible. To evaluate DAS signal attenuation due to surface deployment of cable in lunar regolith, we completed earthquake detection analyses that evaluated the sensitivity of an optic-fiber DAS system to seismic signals at different burial depths. We deployed a single-mode fiber in a 10-m open-bottom wooden box filled with a lunar regolith simulant (LRS) with fiber buried at different depths within the LRS and recorded signals for four regional and local earthquakes. The results were used to identify and evaluate signal attenuation in surface-deployed fiber compared to buried fiber in the LRS. Burial depth responses to active-source signals were also evaluated similar to previous studies characterizing DAS sensitivity of surface-deployed fiber. Atmospheric noise was minimal as the cable was deployed in an indoor environment; however, where observed, atmospheric and anthropogenic noise was filtered out using the same bandpass filtering used to identify earthquake events. We found that signal attenuation of the surface-deployed fiber compared to buried fiber was relatively high in active-source experiments but was not consistently observed in earthquake signals. That burial depth is not highly correlated to attenuation of the observed earthquake signals indicates that in a noise-limited environment, placing DAS-interrogated fiber directly at the regolith surface may be a promising deployment strategy to consider for sensing remote seismic signals during lunar exploration.

58 GEOSCIENCES↗
DOE OSTI2025

Thermovelocimetric characterization of liquid metal convection in a rotating slender cylinder

Rotating turbulent convection occurs ubiquitously in natural convective systems encompassing planetary cores, oceans and atmospheres, as well as in many industrial applications. While the global heat and mass transfer of water-like rotating Rayleigh–Bénard convection is well-documented, the dynamics in low-Prandtl-number liquid metals remain less understood. In this study, we experimentally investigate rotating Rayleigh-Bénard convection in liquid gallium (Prandtl number Pr ≈ 0.027) within a slender cylinder (diameter-to-height aspect ratio Γ = D/H =1/2) using novel thermovelocimetric diagnostic techniques that integrate simultaneous multi-point thermometry and ultrasonic Doppler velocity measurements. Our results reveal the formation of a stable, global-scale azimuthal wavenumber m = 2 quadrupolar vortex at low supercriticality. We propose that enhanced wall modes facilitated by the slender cylinder geometry interact with the bulk flow to create these large-scale axialized vortices. Furthermore, our findings imply a distinct scaling behavior for the wall-mode precession frequency in liquid metals, extending previous results obtained for moderate-Pr fluids. In conclusion, this provides new insights into wall-bulk coupling mechanisms of low-Pr rotating convective turbulence.

Magnetohydrodynamics↗
DOE OSTI2025

Bundling measures for food systems transformation: a global, multimodel assessment

Background Current food systems leave one in ten individuals at risk of hunger while driving unsustainable environmental impacts. Inaction risks further exacerbating negative impacts on both human and planetary health. These challenges emerge from complex system interactions, requiring approaches that engage with this complexity and consider how transformation measures interact across food systems. We aimed to quantify the magnitude and uncertainty of the impacts of key food systems transformation measures both individually and in a bundle using an ensemble of global economic models. Methods In this global multimodel assessment, we applied an ensemble of ten state-of-the-art global economic models to evaluate the potential of four key measures in transforming food systems: increasing agricultural productivity, halving food loss and waste, shifting towards healthier diets, and economy-wide climate mitigation policies aligned with limiting warming to 1·5°C. The scenarios used a middle-of-the-road shared socioeconomic pathway for population and gross domestic product growth, climate impact data from Jägermeyr and colleagues, Thornton and colleagues, and Nelson and colleagues, and dietary targets based on the EAT–Lancet healthy reference diet, with model simulations conducted from 2020 to 2050. We then assessed the effect of these measures in isolation and in combination in a bundled scenario. To further understand the interactions between these measures, we conducted a decomposition analysis that distinguishes between the individual effects of a measure (effect when implemented alone), total effects (its contribution within the bundle), and interaction effects (the difference between total and individual effects). This approach aimed to show complementarities and trade-offs that emerge when multiple measures are implemented simultaneously. Findings Our analysis showed that individual measures in isolation are insufficient to achieve high-level environmental objectives and might generate unintended consequences. In contrast, bundling measures produces co-benefits: avoiding 50% of projected agricultural greenhouse gas emissions by 2050 and almost 20% of anticipated land conversion, while moderating food price increases associated with ambitious climate change mitigation policies. Our decomposition analysis further shows that measures can have varying effects across different dimensions. Although dietary shifts and climate mitigation policies are the largest drivers of environmental benefits (each contributing to a median decline of >10 percentage points in non-CO 2 emissions and 5 percentage points in agricultural land use globally), productivity improvements and reducing food loss and waste play essential roles in moderating price increases (each contributing to a median decline of >5 percentage points in average prices). Interpretation This study highlights the importance of implementing coordinated approaches to food system transformation and climate change mitigation rather than relying on isolated interventions. Comprehensive transformation requires understanding how supply-side and demand-side changes can interact with climate mitigation policies, enabling policy makers to design intervention packages that maximise benefits while minimising trade-offs across environmental, economic, and social dimensions.

Sundiang, Marina [Cornell Univ., Ithaca, NY (Unite↗
DOE OSTI2025

Scintillation properties of diamond powders and feasibility of using them in thermal neutron detectors

Diamond offers unique properties for radiation detection, including high radiation hardness, very low gamma sensitivity, and fast response. Conventional diamond detectors rely on charge collection, but this approach requires ultra-pure single crystals and suffers from radiation-induced degradation. Here, in this work, we demonstrate an alternative approach using diamonds as scintillators for detection of charged particles and thermal neutrons. Prototypes were fabricated from commercially available diamond powders bonded to glass substrates and coupled with 6 LiF converters and silicon photomultipliers (SiPMs) and conventional PMTs. We characterized their scintillation properties under alpha particle excitation, x-ray photoluminescence, and thermal neutrons. The tryout detectors exhibit strong scintillation light signals, nanosecond-scale response times, and neutron detection efficiencies up to approximately 14 %, evaluated by comparison to conventional 3 He detector with known efficiency. These results demonstrate the feasibility of cost-effective, lightweight and robust diamond scintillation detectors for applications in space and planetary science, nuclear security, safeguards and environmental monitoring requiring efficient, robust, gamma-blind neutron detectors.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Reducing waste of the hydride-dehydride process for U-6 wt% Nb spherical powders through lower impact and targeted milling

The breakdown of solid metal into powder during the hydride-dehydride process is commercially important for the formation of titanium and other metal powders. Typically, the milling of the brittle hydride powder occurs in a ball mill, where milling media impacts powder particles to break them down. The milling media can impact particles that are larger than desired, as desired, or smaller than desired, indiscriminately making all particles smaller. In this work, we investigate how to minimize waste powder production during milling using two different milling methods, planetary ball milling and milling in a sieve shaker (sieve-milling). Both processes yielded similar amounts of 20–75 μm diameter powder (the target size range); however, sieve-milling generated a significantly smaller amount of undersized waste powder. The powders were characterized by X-ray diffraction, SEM/STEM, and magnetic susceptibility. Several differences between ball milling and sieve-milling processes are discussed. We then conclude that the decreased yield of undersized powder in sieve-milling was due to a combination of lower impact energy in sieve-milling, unreacted metallic cores in the hydride flakes, and the ability to mill target particle sizes during sieve-milling. While these results are from the milling of brittle hydride powder, similar methods may be applicable to other brittle powders, including ceramics or salts.

Chemistry↗
DOE OSTI2024

Characterizing model uncertainties in simulated coast-to-offshore wind over the northeast U.S. using multi-platform measurements from the TCAP field campaign

Numerical weather prediction (NWP) models, such as the Weather Research and Forecasting (WRF) model, are widely used to provide estimates of the offshore wind energy resource owing to their large spatial coverage compared to available observations. Nevertheless, spatiotemporal distribution of model biases is highly dependent on factors including model configuration, location, and the interplay of multi-scale physical processes. Here, in this study, we focus on the characterization of model uncertainties in simulated coast-to-offshore winds over the northeast U.S., by varying sea surface temperature (SST) forcings, surface layer (SL) and planetary boundary layer (PBL) parameterizations, as well as identifying biases that may be directly passed from initial and boundary conditions. Multiple measurements, including aircraft data collected during the U.S. Department of Energy's Two-Column Aerosol Project (TCAP) experiment, are used to constrain the model results and facilitate quantitative comparisons. Our analysis indicates while SST forcing has notable impacts on simulated air temperature and moisture within PBL, the modeled winds are in general more sensitive to the choices of SL and PBL physics than to SST. The model’s forcing data not only controls the vertical dependence of wind speed errors, but also alters regional variability in wind speed’s spatial correlation. Bias comparisons between ERA5 reanalysis and ensemble simulations revealed significant similarity, particularly in wind speed biases during winter, underscoring their dependency on initial and boundary conditions. Coastal and offshore near-surface wind speed biases tend to exhibit much higher similarity in winter than in summer due to the presence of much stronger and more persistent synoptic wind conditions. This study highlights the importance of accurate atmospheric forcing and parameterization choices in improving wind forecasts and suggests the potential for extrapolating coastal wind biases to offshore locations, aiding wind energy forecasting and informing the Wind Forecast Improvement Project-3 (WFIP3).

17 WIND ENERGY↗
DOE OSTI2025

Molecular Mass Growth Processes to Polycyclic Aromatic Hydrocarbons through Radical–Radical Reactions Exploiting Photoionization Reflectron Time-of-Flight Mass Spectrometry

Polycyclic aromatic hydrocarbons (PAHs) represent critical building blocks in molecular mass growth processes to carbonaceous nanoparticles, referred to as interstellar and circumstellar grains along with soot particles in astrophysical environments and combustion systems, respectively. Recent advancements on elucidating elementary steps to PAHs have utilized reactions of aromatic radicals, resonantly stabilized free radicals, and aliphatic radicals with closed shell hydrocarbons. However, the role of radical–radical reactions (RRRs) leading to PAHs has remained largely unexplored on the molecular level due to preceding experimental challenges in producing sufficiently high number densities of radical reactants for isomer-selective detection of products from bimolecular and termolecular reactions. This Account offers the latest developments in our knowledge on the mechanisms and pathways to PAHs via RRRs probed in a chemical microreactor at temperatures as high as 1600 K. Product preservation in a molecular beam coupled with synchrotron vacuum ultraviolet photoionization reflectron time-of-flight mass spectrometry and photoelectron photoion coincidence spectroscopy enabled isomer-selective detection of PAHs of up to three rings by their photoionization efficiency curves, which were fit with a linear combination of reference curves for identification. Experiments were combined with computational fluid dynamics modeling of the physicochemical processes in the microreactor, as well as high-level electronic structure calculations to reveal the reaction pathways of each system. Six distinct reaction mechanisms were discovered in this work: propargyl addition─benzannulation (PABA), methyl addition─ring expansion (MARE), cyclopentadienyl addition─naphthylization (CPAN), fulvenallenyl addition─cyclization─aromatization (FACA), benzyl addition─aromatization (BAA), and phenyl addition─pentacyclization (PAP). By systematically varying the number of carbon atoms in the radical reactants, molecular mass growth processes involving reactions between radicals with odd numbers of carbon atoms access aromatics carrying one, two, or three six-membered rings, whereas reactions between even- and odd-carbon-numbered radicals produce aromatics combining five- and six-membered rings. Our investigations reveal unconventional cycloadditions on excited state triplet surfaces, additions of radicals to low spin density carbon-centered radicals, spiroaromatic and fulvene-type intermediates, and highly strained bicyclic reaction intermediates, challenging current perceptions of PAH molecular mass growth processes. All of the listed mechanisms, except for FACA, feature endoergic reactions or barriers which lie above the separated reactants and therefore might be central to circumstellar environments of carbon-rich stars and planetary nebulae as their descendants, but they play no role in the gas phase of cold molecular clouds where temperatures as low as 10 K dominate. Altogether, this work provides detailed reaction mechanisms of PAH growth processes, advancing our knowledge of the chemistry of carbonaceous matter in the universe.

Addition reactions↗
DOE OSTI2026

Investigating ultrafine aerosol turbulent fluxes during atmospheric new particle formation events

New particle formation (NPF) is an important source of atmospheric aerosols, yet quantitatively predicting its occurrence remains challenging, partly because ground-based measurements cannot capture NPF accurately if they occur in the upper atmosphere. While observations have confirmed the presence of new particles near the top of the planetary boundary layer (PBL), their origins and the direction of their vertical transport have remained ambiguous. Here, we propose and validate an analytical framework using airborne eddy-covariance (EC) and continuous wavelet transform (CWT) to directly quantify the vertical flux of newly formed particles and determine its dominant vertical transportation direction. Analyzing data from a dedicated airborne campaign over the Southern Great Plains, we observed a persistent and strong downward particle flux during NPF events, with a mean value of 133.8 cm?3 m s?¹ downward flux in the entrainment zone, whereas fluxes on non-NPF days were negligible. Our spectral analysis further confirms that these directional fluxes can be reliably captured using standard 1 Hz aerosol instrumentation. These findings suggest that new particle formation, driven by the entrainment of air from the overlying residual/stable layer during PBL growth, is a significant and potentially understudied source of boundary layer aerosols. The framework presented here provides a methodology to correctly attribute NPF events to specific altitudes, thereby improving the mechanistic understanding required for accurate atmospheric models.

Zhang, Ruoyu↗
DOE OSTI2025

A Combined Crossed Molecular Beam and Theoretical Investigation of the Elementary Reaction of Tricarbon (C 3 (X 1 Σ g + )) with Diacetylene (C 4 H 2 (X 1 Σ g + )): Gas Phase Formation of the Heptatriynylidyne Radical ( l -C 7 H(X 2 Π))

An elucidation of the underlying formation pathways to acyclic hydrocarbons such as polyynes (C n H 2 ), cumulenes (C n H 2 ), and linear resonantly stabilized linear radicals (l-C n H) is indispensable to understand the hydrocarbon chemistry in extreme low and high temperature environments. In this study, we exploited the crossed molecular beam technique to investigate the reaction of tricarbon C 3 (X 1 Σ g + ) with diacetylene (butadiyne; HCCCCH; X 1 Σ g + ) at a collision energy of 47 ± 1 kJ mol ⁻1 . The experimental data were merged with ab initio calculations of the singlet C 7 H 2 potential energy surface (PES) revealing that the reaction is initiated via the formation of an initial van der Waals reactant complex in the entrance channel. Subsequent rearrangements lead to various carbene-type and cyclic intermediates via ring-opening, ring-closure, and hydrogen migration processes eventually forming acyclic C 7 H 2 isomers prior to their barrierless unimolecular decomposition to the most stable linear isomer, heptatriynylidyne (C 7 H, X 2 Π) in an overall endoergic reaction (+57 kJ mol ⁻1 ). The reaction exhibits strong similarities to the tricarbon – acetylene (C 3 – C 2 H 2 ). Furthermore, the significant energy threshold suggests that the tricarbon reaction with (poly)acetylenes forming resonantly stabilized linear radicals are open in high-temperature environments such as combustion flames and circumstellar envelopes of carbon stars and planetary nebulae as their descendants; however, these reactions are closed in low-temperature environments as in cold molecular clouds and hydrocarbon-rich atmospheres of planets and their moons such as in Titan.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗