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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Greater aperture counteracts effects of reduced stomatal density on WUE: a case study on sugarcane and meta-analysis

Stomata regulate CO 2 and water vapor exchange between leaves and the atmosphere. Stomata are a target for engineering to improve crop intrinsic water use efficiency (iWUE). One example is by expressing genes that lower stomatal density (SD) and reduce stomatal conductance (g sw ). However, the quantitative relationship between reduced SD, g sw , and the mechanisms underlying it is poorly understood. We addressed this knowledge gap using low-SD sugarcane (Saccharum spp. hybrid) as a case study alongside a meta-analysis of data from 10 species. Transgenic expression of EPIDERMAL PATTERNING FACTOR 2 from Sorghum bicolor (SbEFP2) in sugarcane reduced SD by 26-38% but did not affect gsw compared to wildtype. Further, no changes occurred in stomatal complex size or proxies for photosynthetic capacity. Measurements of gas exchange at low CO 2 concentrations that promote complete stomatal opening to normalize aperture size between genotypes were combined with modeling of maximum gsw from anatomical data. These data suggest that increased stomatal aperture is the only possible explanation for maintaining gsw when SD is reduced. Meta-analysis across C 3 dicots, C 3 monocots, and C 4 monocots revealed engineered reductions in SD are strongly correlated with lower gsw (r 2 =0.60-0.98), but this response is damped relative to the change in anatomy.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

A Cellular Automaton Simulation for Predicting Phase Evolution in Solid-State Reactions

New computational tools for solid-state synthesis recipe design are needed in order to accelerate the experimental realization of novel functional materials proposed by high-throughput materials discovery workflows. This work contributes a cellular automaton simulation framework for predicting the time-dependent evolution of intermediate and product phases during solid-state reactions as a function of precursor choice and amount, reaction atmosphere, and heating profile. The simulation captures the effects of reactant particle spatial distribution, particle melting, and reaction atmosphere. Reaction rates based on rudimentary kinetics are estimated using density functional theory data from the Materials Project and machine learning estimators for the melting point and the vibrational entropy component of the Gibbs free energy. The resulting simulation framework allows for the prediction of the likely outcome of a reaction recipe before any experiments are performed. We analyze five experimental solid-state recipes for BaTiO 3 , CaZrN 2 , and YMnO 3 found in the literature to illustrate the performance of the model in capturing reaction selectivity and reaction pathways as a function of temperature and precursor choice. This simulation framework offers an easier way to optimize existing recipes, aid in the identification of intermediates, and design effective recipes for yet unrealized inorganic solids in silico .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Structural Studies of Alloyed and Nanoparticle Transition Metal Dichalcogenides by Selenium-77 Solid-State Nuclear Magnetic Resonance Spectroscopy

Layered transition metal dichalcogenides (TMDCs) such as MoS 2 , MoSe 2 , and WSe 2 are under intense investigation because they are atomically thin semiconductors with photophysical properties that can be tuned by changing their composition or morphology. Mechanochemical processing has been proposed as a method to obtain alloyed TMDCs in the series Mo 1–x W x S y Se 2–y (x = 0–1; y = 0–2). However, elucidating the chemical transformations occurring at the atomic scale following mechanochemical processing can be challenging because the products are often amorphous or microcrystalline. To address this challenge, we probe TMDC mixing and alloying by using a combination of powder X-ray diffraction, Raman spectroscopy, diffuse reflectance spectroscopy, 77 Se solid-state nuclear magnetic resonance (SSNMR) spectroscopy, and planewave density functional theory (DFT) calculations. The nature of the milling material and reaction atmosphere are shown to be essential factors in limiting the formation of undesired oxide byproducts. We demonstrate acquisition of 77 Se SSNMR spectra using different combinations of Carr-Purcell Meiboom-Gill acquisition (CPMG) pulse sequences, magic angle spinning (MAS), and MAS dynamic nuclear polarization. Further, the combination of SSNMR with the other characterization methods clearly demonstrates that high energy impact ball milling induces molecular level alloying of Mo, W and chalcogen atoms in the family Mo 1–x W x S y Se 2–y . Gauge including projector augmented wave DFT calculations yield accurate 77 Se chemical shift (CS) tensor components. 77 Se SSNMR spectroscopy was also applied to study the structure of WSe 2 nanocrystals intercalated with ethylenediamine. The intercalated WSe 2 nanocrystals exhibit a more positive isotropic 77 Se CS as compared to bulk WSe 2 , however, the 77 Se CS anisotropy is the same, confirming the WSe 2 layers have a similar structure as in their bulk counterparts.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Numerical-heating effects in atmospheric pressure streamer discharges simulated with a PIC code

Artificial heating in plasma simulations is a well-known phenomenon which occurs when, among other things, the Debye length is poorly resolved by the simulation mesh. Here, in this work, the degree to which numerical-heating occurs during a simulation of a nanosecond atmospheric pressure streamer discharge is examined. The streamer is simulated using a two-dimensional finite-element, particle-in-cell code Empire, which uses direct simulation Monte Carlo for binary particle interactions. Initially, an estimate of the numerical-heating rate applied to Empire is performed using a simple plasma model. Second, a positive atmospheric pressure streamer discharge simulation is performed to study the effects of numerical heating on plasma density, electron temperature, and streamer velocity. The nominal Debye length is approximately 1 μm and the amount of numerical heating introduced in the simulation is varied by using mesh sizes ranging from 2 μm to 20 μm. A measurable numerical heating quantity is proposed that can be used to estimate the appropriate element size and quantify the numerical-heating that can be expected over the simulation time for an atmospheric pressure streamer. In conclusion while Δx/λ D violations can be an issue it is not likely to be an issue with streamer discharges that are temporally short and occur in environments where collision frequencies are high. This result validates the rationale of grid size choices for a large amount of previously published works where Δx/λ D violation was not clearly addressed. Primary finding of this work is that numerical heating is of minor concern for plasma simulations where electron–neutral collisions are numerous such that multiple collisions can occur within a single plasma period.

Nikic, Dejan [University of New Mexico, Albuquerqu↗
DOE OSTI2025

Survey and Modeling of Windblown Ejecta Deposits on Venus

Venus' thick atmosphere rotates in the same direction as the solid body, but ∼60 times faster. This atmospheric superrotation has produced dozens of windblown ejecta deposits (“parabolas”) on the surface of Venus. The formation and modification of parabolas is an interplay between impacts, aeolian modification, and atmospheric dynamics. We conducted a survey to explore the nature of these sedimentary surface features. First, we observe trends in parabolas' morphology that shed light on how they are deposited and gradated. Changes in the size and radar albedo of parabolas are likely linked to the height and density (respectively) of ejecta plumes at time of formation. Next, we discovered that parabolas show orientations inconsistent with present atmospheric dynamics. This discrepancy may record a change in these dynamics or geologically recent true polar wander at a rate of ∼1° Myr −1 , which is similar to that observed on Earth over the past century. These results highlight how overlapping observations at different radar wavelengths provide important insights into the history and character of geologic processes on Venus. Overall, atmospheric superrotation has probably persisted for at least the age of Venus' surface.

Venus↗
DOE OSTI2025

Multivariate environmental and trait-based controls of transpiration in the Central Amazon Rainforest

Tropical forest tree mortality is increasing due to more severe droughts, yet our understanding of how tree traits and life strategies are linked to drought stress has been limited by measurement scarcity. The BIONTE (BIOmass and NuTrient Experiment) near Manaus, Brazil hosts one of the world’s largest sap flow installations, with sensors in 90 canopy trees across a wood density gradient monitored since June 2022. The 2023 El Niño drought provided a unique opportunity to evaluate how water availability impacts tree transpiration. An interpretable machine learning framework was used to study the complex interactions between transpiration and multiple environmental variables such as soil water availability and vapor pressure deficit (VPD), and how these interactions vary with wood density and individual trees. We found varying responses of transpiration from different trees during the El Niño drought. Transpiration generally increased with temperature, with stronger effects in wetter areas and in trees with low to medium wood density. However, this response was modulated by stomatal sensitivity to VPD, which constrained transpiration under high atmospheric demand, particularly in intermediate-moisture area. The inflection in transpiration rate at high temperatures (>32°C) underscores the role of stomatal and hydraulic regulation in limiting water loss and protecting trees from excessive evaporative demand. Analysis of soil water contribution to transpiration revealed unimodal patterns in wetter area, with peak contributions near 0.45 cm 3 cm -3 of surface soil water and declining or flat responses beyond that threshold, suggesting a shift from water- to energy-limited transpiration. In contrast, drier areas exhibited limited transpiration sensitivity to soil water conditions and minimal trait-based variation in VPD responses, indicating supply-limited conditions. Despite higher wood density trees being generally more resilient, this study shows diverse tree drought resilience, prompting further investigation into the specific traits and dynamics between environmental variables in regulating transpiration and other physiological processes in trees.

Drought↗
DOE OSTI2025

Equation of State for the Thermodynamic Properties of Trans-1,2-dichloroethene [R-1130(E)]

We present an empirical equation of state in terms of the Helmholtz energy for trans-1,2-dichloroethene [R-1130(E)]. The range of validity is from the triple-point temperature, 223.31 K to 525 K with pressures up to 30 MPa. It may be used to calculate all thermodynamic properties in the fluid phase, including liquid, gas, and supercritical regions. Comparisons are given with existing literature data and estimated uncertainties are provided. In addition, checks were made for correct extrapolation behavior so that the equation behaves in a physically realistic manner when used outside of its range of validity, enabling its use in mixture models. The estimated uncertainties (at a k = 2 or 95 % level of confidence) are based on comparisons with critically assessed data and are 0.25 % for vapor pressure for temperatures in the range 300 K < T < 454 K, rising to 1.5 % as the temperature decreases from 300 K to 265 K. For density in the liquid phase the estimated uncertainty is 0.14 % for temperatures 270 K < T < 410 K and for pressures up to 30 MPa. For the vapor phase the estimated uncertainty in density is 3 %. The uncertainty for liquid-phase heat capacity is 1 % at atmospheric pressure over the temperature range 268 K < T < 309 K, and the uncertainty for the speed of sound in the liquid phase is 0.25 % for temperatures 230 K < T < 420 K and for pressures up to 30 MPa. The uncertainties are larger outside of these specified ranges and in the critical region.

1,2-Dichloroethene↗
DOE OSTI2025

Optical interferometry of high-energy nanosecond pin-to-pin discharges in atmospheric air

This paper describes the construction and application of an optical-frequency Michelson interferometer for measuring electron number density within high-energy, high-power nanosecond pin-to-pin discharges (>10 mJ pulse energy, >1 MW pulse power). A 21 mJ, 11 ns spark across a 3 mm pin-to-pin electrode gap was analyzed at 7 ns into the discharge to demonstrate the operation of the interferometer. A peak electron density of 2.3 × 10 17 cm −3 was observed at these conditions, and it was consistent with estimates of plasma channel resistance based on V–I measurements. This initial work paves the way for a larger parametric study of the spatial and temporal dynamics of electron number density in nanosecond pin-do-pin discharges under various conditions.

electron number density↗
DOE OSTI2026

Towards robust laser beam propagation in atmospheric turbulence

High-fidelity optical propagation through the atmosphere is essential for free-space optical technologies, including laser-based remote sensing and optical communication. However, atmospheric turbulence severely distorts beams and compromises system performance. In this work, we employ hypergeometric-Gaussian (HyGG) vortex beams as probes to characterize and mitigate atmospheric turbulence. Using over 250,000 experimental and simulated frames, we show that refining the power spectrum density (PSD) can reduce numerical prediction errors by up to 79.8%. Concurrently, experimental observations supported by numerical simulations demonstrate that HyGG beams exhibit superior turbulence resilience across multiple metrics compared to conventional Gaussian beams, particularly in their ability to withstand over 5 times stronger turbulence while maintaining similar intensity fluctuations. These dual investigations, on both turbulence mitigation and robust beam solutions, converge to form a unified strategy for enhancing free-space optical system performance. Collectively, our findings provide new insights into light–turbulence interactions and highlight the practical utility of vortex beams under atmospheric conditions.

Zhang, Boyu↗
DOE OSTI2025

Parametric Optimization of Nanostructured Alumina Forming Austenitic Alloys

Alumina-forming austenitic (AFA) alloys provide excellent oxidation resistance through the formation of a stable alumina scale, but their relatively high Ni content might limit application in core structural components because of helium generation and swelling under irradiation. Increasing the density of nanoscale features in the microstructure is a promising route to improve sink strength and mitigate these effects. Conventional oxide dispersion–strengthened (ODS) steels achieve this through mechanical alloying (MA), but the approach is costly and difficult to scale. In this milestone, additive manufacturing was applied as an alternative pathway to fabricate nanostructured AFA (NAFA) alloys with dual precipitation of oxides and nitrides enabled by reactive atmosphere processing. In FY25, two compositions, NAFA-1 (AFA-05) and NAFA-2, were produced and compared. Both alloys achieved densities above 99% of theoretical values, but NAFA-2 exhibited microcracking associated with Nb-rich intermetallic formation, indicating the need for further chemistry optimization. Nitrogen and oxygen uptake was confirmed on selected builds, demonstrating the intended dual-precipitate dispersion. Mechanical testing showed that AM-processed NAFA alloys exceed conventionally produced ODS steels in high-temperature tensile strength and fracture toughness. Preliminary Cu ion irradiation results further suggest improved resistance compared to wrought austenitic alloys. While the current alloys are promising for their compatibility in high-temperature air or liquid Pb environments, modifications to composition will be required for long-term operation in high-temperature impure sodium systems. Future work will focus on refining alloy chemistry to suppress laser powder bed fusion–induced cracking and scaling production to reactor-relevant dimensions using directed energy deposition as a pathway toward net-shape cladding fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Soft x-ray spectroscopy of ammonium sulfate aerosols at varied pH conditions

Aqueous aerosols are useful model systems for understanding the physical chemistry that takes place in the Earth’s atmosphere, as well as the chemistry of other solar system objects. Ammonium sulfate aerosols are impacted by anthropogenic sources such as farming and shipping and are understood to be important seeds of cloud nucleation in the atmosphere, affecting climate. X-ray photoelectron spectroscopy and near edge x-ray absorption fine structure spectroscopy were used in tandem to probe the surface and bulk properties of aqueous (NH 4 ) 2 SO 4 , respectively. Aerosolized solutions of (NH 4 ) 2 SO 4 , some altered with NaOH to modify pH, were introduced via an aerodynamic lens to a velocity map imaging instrument for detection. The results show that as pH and sodium cation concentration increase, sulfate anion and ammonia become more prevalent at the surface, and the aerosol surface appears to become drier. However, most of the aerosol remains aqueous, with ion concentrations insensitive to the addition of NaOH. Density functional theory calculations were also performed to probe the coordination environment at the aerosol surfaces to understand the underlying phenomena. Finally, the changes seen on the surface of the aerosol underscore the importance of pH in regulating the structure and chemical properties of atmospherically relevant aerosols.

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

Operation at Reduced Atmospheric Pressure and Concept of Reliability Redundancy for Optimized Design of Insulation Systems

Electrified transportation is calling for insulation design criteria that is adequate to provide elevated levels of power density, power dynamics and reliability. Increasing voltage levels are expected to cause accelerated intrinsic and extrinsic aging effects which will not be easily predictable at the design stage due to a lack of suitable modeling. Designing reliable insulation systems would require finding solutions able to control accelerated aging due to an unpredictable increase of intrinsic stresses and the onset of extrinsic stresses as partial discharges. This paper proposes the concept of reliability redundancy for the insulation design of aerospace electrical asset components, which is also validated at lower-than-standard atmospheric pressure. The principle is that extrinsic-aging-free design might be achieved upon determining the aging stress or abnormal service stresses distribution and being sure that aging will not generate conditions that can incept extrinsic aging (partial discharges) during operation life. However, such information is never, in practice, fully available to insulation system designers. Hence, especially in critical applications such as electrified aircraft, aerospace, and combat ships a further level of reliability should be added to a partial-discharge-free design, which can consist of the use of corona-resistant materials and/or of life models able to consider the accelerated aging effect of partial discharges (or any other type of extrinsic-accelerated aging factor). Innovative life modeling considering both extrinsic and intrinsic aging stresses, insulating material testing to estimate model parameters, and a metric for quantifying the extent of corona (or partial discharge) resistance can lead to establishing feasibility and limit conditions for optimized or fully reliability-redundant design. It is shown in the paper that if an extrinsic-aging-free design is not feasible, and it is therefore replaced by a redundant design, a further level of reliability redundancy can be provided by effective condition monitoring plans.

Montanari, Gian Carlo↗
DOE OSTI2026

Eddy Correlation Flux Measurement System (ECOR) Instrument Handbook

The eddy correlation (ECOR) flux measurement system provides in situ, half-hour measurements of surface turbulent fluxes of momentum, sensible heat, latent heat, and carbon dioxide (CO 2 ) at the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) User Facility sites. ARM’s ECORs also historically measured methane fluxes at Utqiaġvik and Oliktok Point, Alaska. The fluxes are obtained with the eddy covariance technique, which involves correlation of the vertical wind component with the horizontal wind component, the air temperature, the water vapor density, and the CO 2 concentration.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

The influence of iron incorporation on the microstructure and crystal chemistry of UO 2 fuel

The incorporation of dopants into UO 2 is of interest for both doped advanced fuel and nuclear forensics research. Suitable forensics dopants, or taggants, for nuclear fuels are ones that do not adversely affect the performance of the parent material while still being traceable during key stages of the fuel’s life cycle. In this paper, we present our efforts to understand the effects of doping UO 2 with Fe 2 O 3 under multiple parameters, such as Fe concentration (0–3000 wppm), sintering temperature (1673 K, 1773 K, and 1973 K), sintering time (2–12 h), and atmosphere (reducing and inert). Here, we investigated densification behavior, microstructure evolution, and lattice defects based on the geometric densities, scanning electron microscopy (SEM), X-ray diffractograms, and Raman spectra. The effect of Fe on the microstructure and crystal chemistry of UO 2 is very complex, especially at the intermediate temperature (1773 K), where we found that densification kinetics are enhanced and that lattice contraction occurs for doping concentrations greater than 1000 wppm Fe.

Crystallography↗
DOE OSTI2024

A high internal heat flux and large core in a warm Neptune exoplanet

Interactions between exoplanetary atmospheres and internal properties have long been proposed to be drivers of the inflation mechanisms of gaseous planets and apparent atmospheric chemical disequilibrium conditions. However, transmission spectra of exoplanets have been limited in their ability to observationally confirm these theories owing to the limited wavelength coverage of the Hubble Space Telescope (HST) and inferences of single molecules, mostly H 2 O. Here, in this work, we present the panchromatic transmission spectrum of the approximately 750 K, low-density, Neptune-sized exoplanet WASP-107b using a combination of HST Wide Field Camera 3 (WFC3) and JWST Near-Infrared Camera (NIRCam) and Mid-Infrared Instrument (MIRI). From this spectrum, we detect spectroscopic features resulting from H 2 O (21σ), CH 4 (5σ), CO (7σ), CO 2 (29σ), SO 2 (9σ) and NH 3 (6σ). The presence of these molecules enables constraints on the atmospheric metal enrichment (M/H is 10–18× solar), vertical mixing strength (log 10 K zz = 8.4–9.0 cm 2 s -1 ) and internal temperature (>345 K). The high internal temperature is suggestive of tidally driven inflation4 acting on a Neptune-like internal structure, which can naturally explain the large radius and low density of the planet. These findings suggest that eccentricity-driven tidal heating is a critical process governing atmospheric chemistry and interior-structure inferences for most of the cool (<1,000 K) super-Earth-to-Saturn-mass exoplanet population.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Development of a microwave-assisted downdraft moving-bed gasifier for continuous processing of lignite and biomass chars

This research illustrates a microwave-assisted downdraft moving-bed gasifier for the first time. Such design enables continuous solid gasification process. An adjustable auger was applied to control the solid removal rate and the gas-solid interaction time. Both lignite and biomass chars were investigated to determine the capability of the current system for low-tar feedstocks with different densities. Here, the presented reactor design was able to operate continuously for 3 hours and 20 minutes under 700 ℃ and atmospheric pressure, with air as the gasifying agent. For yellow pine char, the processing rate could reach 34.1 grams per hour with decent syngas production. The downdraft moving-bed design shows better cold gas and syngas production efficiencies compared to the common fixed-bed design, due to controllable residence time and more homogeneous microwave heating. The limitations of the current design and the direction of novel microwave-assisted chemical reactor design were discussed. This novel reactor design provides a way to improve the efficiency of microwave-assisted gasification process and shows its potential to be incorporated into other established chemical reaction processes as a modular add-on.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Density functional theory (DFT) study of UF 6 hydrolysis: reaction pathways, spectroscopy, and chemical kinetics

Depleted uranium hexafluoride (UF 6 ), a stockpiled byproduct of the nuclear fuel cycle, reacts readily with atmospheric humidity, but the gas-phase reaction mechanism and associated chemical kinetics are poorly understood. During the performance period we undertook development of a state-of-the-art ab initio gas-phase chemical kinetics simulation workflow to model the hydrolysis of uranium hexafluroride (UF 6 ). In doing so, we addressed several outstanding issues in the theoretical treatment of uranium-containing systems. At the outset it was unclear how to generate accurate estimates of kinetic and thermodynamic data for U-containing chemical reactions. Generation of such data has been made routine. Prior to our work, the literature associated with UF 6 hydrolysis were disparate and inaccurate. This body of work provides a modern and comprehensive theoretical assessment of the reaction mechanism, molecular clustering towards deposition, and chemical kinetics. New methodological implementations and software integrations resulting from this work are also highlighted. As much as possible, our predictions were validated against experimental data including particle morphologies, vibrational spectroscopy, atomization enthalpies, and kinetic rate constants. Nevertheless, we were unable to reconcile kinetic measurements with high-accuracy simulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Techno-Economic Analysis of Large-Scale Hydrogen Production from Solid Oxide Electrolysis Cell Systems

The objective of this study is to establish a detailed techno-economic analysis to assess the effectiveness of incremental technology improvements needed for solid oxide electrolysis cell (SOEC) technology to achieve the U.S. DOE’s Hydrogen Shot goal of hydrogen production at less than $1 per kilogram. The pathway considers incremental technology improvements to key system parameters, with system performance and cost assessed for each pathway step. Briefly, the steps include cell voltage degradation rate improvements, operational current density increases, operating temperature reduction, improved steam utilization, increased system capacity factor, and reduced cell/stack capital costs. Each step is assessed at both atmospheric and pressurized (8 bar) operating conditions. To supplement assessment at each of these discrete stepwise improvements, sensitivity studies are conducted to understand the relative impact of each parameter and identify avenues for additional cost reductions. System efficiency and levelized costs of hydrogen (LCOH) for each case are presented. For the end-of-pathway case, which includes all the incremental research and development improvements, the cost of hydrogen produced is reduced by 50 percent from the state-of-the-art case.

08 HYDROGEN↗