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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Photoinitiated Reactions of Molecules and Radicals in Molecular Beams

The UV photochemistry of organic molecules is a fundamental process that governs reactions in the atmosphere, synthetic chemistry, processing of organic aerosols, and biological damage in living tissues. In many organic molecules, the ensuing evolution involves pathways that are in competition, giving rise to different products, isomerization, coupling to other electronic states, and secondary reactive collisions. Because photodissociation is usually fast (picoseconds to microseconds), these processes are far from equilibrium and are controlled by kinetic competition and dynamical forces. The work accomplished was focused primarily on the photochemistry of alpha-keto carboxylic acids, a group of acids produced from natural sources, which are implicated in aerosol formation and biological processes. In the atmosphere, they are destroyed mainly by solar radiation. Studying their photochemistry has been surprisingly difficult because of the complexity of their excited electronic states, and the effect of collisions and secondary reactions. The second project investigated the lifetime of excited electronic states of pyrazine and picoline and had both experimental and theoretical aspects. The work focused on a model molecule, pyruvic acid (PA), because it was hypothesized that it should be a good source of the unstable carbene, methylhydroxycarbene (MHC). PA has an internal hydrogen bond that controls the evolution of its decomposition. The decomposition was studied following excitation to two of its lowest excited states reached by laser irradiation at 351 and 193 nm. The photodissociation dynamics in the absence and presence of collisions was monitored and compared. Understanding the UV photochemistry requires the use of complementary experimental approaches. Two methods were enlisted, which together generated a comprehensive and detailed set of results: (i) The time-sliced velocity map imaging (SVMI) instrument at USC was exploited to determine kinetic energy release of fragments, fast dissociation timescales, and internal state distributions of fragments for which Resonance Enhanced Multiphoton Ionization (REMPI) schemes exist; and (ii) The multiplexed photoionization mass spectrometer (MPIMS) setup developed at the Sandia Combustion Research Facility was used for product discovery, achieved by exploiting tunable narrowband VUV radiation at the Advanced Light Source (ALS), and to follow in real time their subsequent unimolecular and bimolecular reactions. The experimental conditions ranged from collisionless molecular beams to study nascent products to flow reactors of variable pressures to study subsequent bimolecular reactions of the products. The goals stated above were successfully accomplished. By exciting PA to its lowest excited state, MHC was identified as the only primary product and its isomerization to vinylalcohol and acetaldehyde was directly observed in real time. Moreover, we reported the first bimolecular reaction of MHC, which was with acetaldehyde, and identified its reaction product. This paves the way for the study of other reactions of this important carbene intermediate. When excitation was carried out at 193 nm, which imparted much higher energy to PA, many more products were directly observed in real time, some deriving from three-body dissociation. Quantitative branching ratios and secondary reactions of radical products were also determined and analyzed. The studies of pyrazine and picoline focused on the second excited state of these molecules and showed (via ionization studies) that their excited states were very short lived (<100 fs) because of efficient couplings to lower electronic states via vibronic coupling. Theoretical work on modeling the absorption spectrum and decay mechanisms of the excited states are in progress in collaboration with theoreticians.

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

University of Maryland Eastern Shore Common Garden

Located at the University of Maryland Eastern Shore, an HBCU (Historically Black Colleges and Universities), this data set is composed of the geographic coordinates of four transgenic Populus tremula x alba INRA 717-IB4 lines (CHX20, XBAT35, EXO70, DIR18) as well as a wild type (WT), and Empty vector (EV)). Our site is monitored by an ATOMS 41 weather station, which collects solar radiation, air temperature, vapor and atmospheric pressure, precipitation, and other weather variables. We will assess a suite of variables reflecting growth and performance, focusing on root allocation and soil carbon sequestration.

CBI, Populus, common garden, transgenic↗
DOE OSTI2021

Editorial: Microbial C1 Metabolism and Biotechnology

Archaea and bacteria with the capacity to utilize one-carbon (C1) molecules as carbon and energy sources are widespread across the planet and are important players in many biogeochemical processes. As such, they occupy an array of diverse anaerobic and aerobic niches and perform unique metabolisms that enable the utilization of carbon dioxide (CO 2 ), carbon monoxide (CO), formate (HCOOH), methanol (CH 3 OH), and methane (CH 4 ) for growth. Several industrial processes have been developed that leverage these microbes for the targeted conversion of anthropogenic waste gases that contain C1 molecules, including natural gas (CH 4 ), anaerobic digestion-derived biogas (CH 4 and CO 2 ), industrial flue gas (CO 2 and CO), and syngas (CO 2 , CO, and H 2 ) (Figure 1). Further, there is increasing interest in electrochemical reduction of CO 2 to CO, CH 4 , and intermediates with increased solubility compared to gaseous C1 molecules (formate and methanol) using electrons derived from renewable sources like wind, solar, or hydrothermal systems to mitigate atmospheric greenhouse gas. Thus, C1-utilizing microbes will likely play an integral role in biotechnologies that are part of a sustainable, circular bioeconomy. However, fundamental knowledge gaps into the metabolism and physiology of these microbes exist that limit their utility as biocatalysts for carbon-efficient biomanufacturing. This special topic presents studies focused on the fundamental aspects of C1 metabolism in diverse microbial systems with the ability to convert anthropogenic greenhouse gases into valuable products.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Solar Contamination in Extreme-precision Radial-velocity Measurements: Deleterious Effects and Prospects for Mitigation

Solar contamination, due to moonlight and atmospheric scattering of sunlight, can cause systematic errors in stellar radial velocity (RV) measurements that significantly detract from the ∼10 cm s{sup −1} sensitivity required for the detection and characterization of terrestrial exoplanets in or near habitable zones of Sun-like stars. The addition of low-level spectral contamination at variable effective velocity offsets introduces systematic noise when measuring velocities using classical mask-based or template-based cross-correlation techniques. Here we present simulations estimating the range of RV measurement error induced by uncorrected scattered sunlight contamination. We explore potential correction techniques, using both simultaneous spectrometer sky fibers and broadband imaging via coherent fiber imaging bundles, that could reliably reduce this source of error to below the photon-noise limit of typical stellar observations. We discuss the limitations of these simulations, the underlying assumptions, and mitigation mechanisms. We also present and discuss the components designed and built into the NEID (NN-EXPLORE Exoplanet Investigations with Doppler spectroscopy) precision RV instrument for the WIYN 3.5 m telescope, to serve as an ongoing resource for the community to explore and evaluate correction techniques. We emphasize that while “bright time” has been traditionally adequate for RV science, the goal of 10 cm s{sup −1} precision on the most interesting exoplanetary systems may necessitate access to darker skies for these next-generation instruments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

C{sub 2}N{sub 2} Vertical Profile in Titan’s Stratosphere

In this paper, we present the first measurements of the vertical distribution of cyanogen (C{sub 2}N{sub 2}) in Titan’s lower atmosphere at different latitudes and seasons, using Cassini’s Composite Infrared Spectrometer far-infrared data. We also study the vertical distribution of three other minor species detected in our data: methylacetylene (C{sub 3}H{sub 4}), diacetylene (C{sub 4}H{sub 2}), and H{sub 2}O, in order to compare them to C{sub 2}N{sub 2}, but also to get an overview of their seasonal and meridional variations in Titan’s lower stratosphere from 85 km to 225 km. We measured an average volume mixing ratio of C{sub 2}N{sub 2} of 6.2±0.8×10{sup −11} at 125 km at the equator, but poles exhibit a strong enrichment in C{sub 2}N{sub 2} (up to a factor 100 compared to the equator), greater than what was measured for C{sub 3}H{sub 4} or C{sub 4}H{sub 2}. Measuring C{sub 2}N{sub 2} profiles provides constraints on the processes controlling its distribution, such as bombardment by Galactic Cosmic Rays which seem to have a smaller influence on C{sub 2}N{sub 2} than predicted by photochemical models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

More science with less: evaluation of a 3D-printed weather station

Abstract. A weather station built using 3D-printed parts and low-cost sensors, based on plans and guidance provided by the University Corporation for Atmospheric Research 3D-Printed Automatic Weather Station Initiative, was deployed alongside an Oklahoma Mesonet station to compare its performance against standard commercial sensors and determine the longevity and durability of the system. Temperature, relative humidity, atmospheric pressure, wind speed and direction, solar radiation, and precipitation measurements were collected over an 8-month field deployment in Norman, Oklahoma. Measurements were comparable to the commercial sensors except for wind direction, which proved to be problematic. Longevity and durability of the system varied, as some sensors and 3D-printed components failed during the deployment. Overall, results show that these low-cost sensors are comparable to the more expensive commercial counterparts and could serve as viable alternatives for researchers and educators with limited resources for short-term deployments. Long-term deployments are feasible with proper maintenance and regular replacement of sensors and 3D-printed components.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Modeling Wind in Agrivoltaics and its Impact on Eddy Covariance Flux Measurements

Silicon Ranch is conducting a research study at their 138MW Bancroft Station agrivoltaics site, the largest agrivoltaics research array in the US, in which they are using an eddy covariance flux tower to measure the carbon budget. They are interested in finding out if the presence of the panels changes the effectiveness of these measurements. To investigate this topic, NLR performed numerical simulations of wind through the agrivoltaic array to identify under what environmental conditions (wind speed, wind direction, temperatures) and panel tilt angles the mean wind speeds at the measurement heights are significantly altered by the presence of the solar panels. NLR adapted and used the PVade simulation tool [1] to model wind in Silicon Ranch's agrivoltaic array and found that at the height of the flux tower (6m), the wind speed measured is not significantly altered by the presence of solar panels. The percent difference is less than 4% and is generally greatest during daytime conditions at higher wind speeds and perpendicular wind direction. Closer to the ground, the flow is significantly altered (wind speeds are reduced) by the presence of solar panels and the percent difference increases in strong winds. The work confirmed that eddy covariance flux towers can be used within the context of a solar array field.

14 SOLAR ENERGY↗
DOE OSTI2025

Assessing the performance of solar radiation management geoengineering simulations

Offsetting the global warming caused by anthropogenic increases in atmospheric greenhouse gases by deliberate injection of aerosols into the stratosphere is the most studied of solar radiation management geoengineering schemes. The long-term success or failure of such schemes in achieving their stated goals is assessed by comparing simulated geoengineered temperature, precipitation and tropical cyclones metrics to equivalent fields in the simulated targeted climate simulations. Results using available data sets from three single model stabilized climate target experiments and three multimodel climate change reduction experiments are presented and compared against a measure of internal variability. While all but one experimental scheme is successful in achieving their targeted global mean annual surface temperature, their success at regional scales varies significantly and is often larger than the internal variability metric used here.

climate model evaluation↗
DOE OSTI2022

Modeling the Conformer-Dependent Electronic Absorption Spectra and Photolysis Rates of Methyl Vinyl Ketone Oxide and Methacrolein Oxide

Criegee intermediates are important atmospheric oxidants, formed via the reaction of ozone with volatile alkenes emitted into the troposphere. Small Criegee intermediates (e.g., CH 2 OO and CH 3 CHOO) are highly reactive, and their removal via unimolecular decay or bimolecular chemistry dominates their atmospheric lifetimes. As the molecular complexity of Criegee intermediates increases, their electronic absorption spectra show a bathochromic shift within the solar spectrum relevant to the troposphere. In such cases, solar photolysis may become a competitive contributor to their atmospheric removal. In this article, we report the conformer-dependent simulated electronic absorption spectra of two four-carbon-centered Criegee intermediates, methyl vinyl ketone oxide (MVK-oxide) and methacrolein oxide (MACR-oxide). Both MVK-oxide and MACR-oxide contain four low-energy conformers, which are convoluted in the experimentally measured spectra. Here, we deconvolute each conformer and estimate contributions from each of the four conformers to the experimentally measured spectra. We also estimate the photolysis rates and predict that solar photolysis should be a more competitive removal process for MVK-oxide and MACR-oxide (cf. CH 2 OO and CH 3 CHOO).

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

Integration of a physics-based direct normal irradiance ($\mathrm{DNI}$) model to enhance the National Solar Radiation Database ($\mathrm{NSRDB}$)

The National Solar Radiation Database (NSRDB) is an extensively used dataset that furnishes satellite-retrieved solar resource data across the United States and an expanding list of other countries. Although the NSRDB uses a physical model to compute global horizontal irradiance (GHI), it currently employs an empirical approach based on surface observations to estimate cloudy-sky direct normal irradiance (DNI). Recently, a new physics-based approach, known as the Fast All-sky Radiation Model for Solar applications with DNI (FARMS-DNI), was developed to improve DNI forecasting. FARMS-DNI integrates direct and scattered solar radiances within the circumsolar region, resulting in improved day-ahead forecasting of DNI by incorporating it into the Weather Research and Forecasting model with Solar extensions (WRF-Solar). This study incorporates FARMS-DNI into the NSRDB algorithm to produce high-spatiotemporal-resolution DNI data from satellite data. The accuracy of the NSRDB based on FARMS-DNI is analyzed using surface observations from 19 sites situated within the National Oceanic and Atmospheric Administration (NOAA) Surface Radiation Budget (SURFRAD) and Solar Radiation (SOLRAD) networks, the University of Oregon (UO) network, the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) network, and at the National Renewable Energy Laboratory (NREL). The results demonstrate that FARMS-DNI reduces the significant overestimation of DNI in the conventional NSRDB at all surface sites, particularly in cloud overcast conditions classified using both satellite retrievals and surface observations. Consequently, this new model can effectively improve the overall accuracy of the NSRDB. The results also suggest that further improvement of DNI estimates at individual time steps, however, requires advanced satellite techniques and precise identification of clouds and retrieval of cloud properties.

14 SOLAR ENERGY↗
DOE OSTI2020

The Molybdenum Oxide Interface Limits the High-Temperature Operational Stability of Unencapsulated Perovskite Solar Cells

Here, we report on the improved operational stability of unencapsulated perovskite solar cells (PSCs) aged in an ambient atmosphere at elevated temperatures (70 °C) for >1000 h under constant illumination and bias at 30–50% relative humidity. We identify a previously unseen interfacial degradation mechanism concerning the use of a MoO x interlayer, which was originally added to increase operational stability. Specifically, the hole-transport layer/MoO x interface buckles under illumination at 70 °C, which leads to delamination and rapid losses of short-circuit current density corresponding to an average $t_{80}$ of ~55 h. By judiciously evaluating various hole-transport layers, interlayers, and contacts, we find that replacing the MoO x with a VO x interlayer, regardless of the other components in the solar cell, alleviates this buckling issue due to its higher activation barrier toward crystallization, leading to significant gains in PSC operational stability. Unencapsulated devices aged in an ambient atmosphere with a VO x interlayer retain 71% of their initial PCE on average after constant illumination and bias at 70 °C for 1100 h ($t_{80}$ ~ 645 h). Currently, this is the highest temperature reported for the operational stability of unencapsulated n-i-p PSCs aged in air. Identification of a new facet of the complex degradation mechanisms in PSCs will allow for targeted acceleration testing to speed the deployment of low-cost, long-lasting electricity generation under realistic operating temperatures.

14 SOLAR ENERGY↗
DOE OSTI2020

Enhancement of Optical Efficiency of CSP Mirrors for Reducing O&M Cost via Near-Continuous Operation of Self-Cleaning Electrodynamic Screens (EDS). Final Report

Over the past decade, techno-economical advancements in solar energy systems, particularly the improvement in the conversion efficiency of PV modules made with mono-crystalline silicon solar cells from 12% to 20%, as well as the cost reduction in manufacturing by a factor of about 10%, have made it possible to achieve a levelized cost of electricity (LCOE) in PV plants that is comparable to, or less than, the cost of deriving electricity from fossil fuels. Operating PV plants in mid-latitude sun-belt regions, where the solar irradiance level is highest, provides a high annual energy-yield (kWh/kWp) due to two factors: (1) the availability of predictable high solar irradiance throughout the year with the fewest interruptions in solar flux from clouds and rain, and (2) the increased conversion efficiency of crystalline solar cells, as recombination loss has decreased with increased intensity of the sunlight that illuminates the silicon solar cells. Semi-arid and desert regions, however, are plagued by high atmospheric dust concentrations and frequent sand storms. The deposition of a layer of dust on the optical surfaces of solar collectors such as PV modules and concentrating mirrors reduces the transmission efficiency of sunlight that actually reaches the solar cells or receivers, resulting in high energy-yield soiling loss. There are two major cost components to operating a solar plant: (1) installation costs, and (2) operation-and-maintenance (O&M) costs. There is no fuel cost; hence operating a solar plant in a semi-arid or desert region provides high returns on investment if soiling losses are mitigated via efficient cleaning methods and optimized cleaning frequency. If solar collectors are not cleaned, the accumulation of dust layers on solar collectors may cause the operation of such plants in arid regions to become economically unviable. Washing solar collectors with water and detergent, as is most commonly done now, is an efficient method for cleaning. The conventional approach in utility-scale solar plants is to use a large truck with a water tank and pump system for spraying deionized water on the surface of the solar collectors. Robotic cleaning with brushes, used for many solar plants, requires lesser water for cleaning. The water consumed using semi-automated cleaning of PV modules in utility-scale solar plants is approximately 2 liters/m 2 per cleaning cycle. The total optical surface area of the solar collectors in 1 TW-scale solar installation will be more than 3 × 109 m 2 ; hence an enormous amount of water be needed for cleaning. There simply is not enough fresh water in the sun-belt areas of the world for predicted cleaning needs. In solar power plants, the estimated cost of cleaning solar collectors includes expenses related to the equipment used, labor, cost of transportation of water, the energy required for cleaning, plus ancillary costs whereas the cost of water is not considered. The water used is obtained from sources located close to plant sites, unmindful of the environmental and societal impact as the power plants are oftentimes located in regions that face severe drought. This practice is very similar to the cost calculations in deriving the levelized cost of electricity (LCOE) in conventional power plants based on burning fossil fuel such as coal and gas, while disregarding the cost of climate change and health effects. Unless a water-free or low-water cleaning method is established, the expansion of solar plants may lose public support in areas suffering long intervals of drought. The goal of this research project has been the development and application of the Electrodynamic Screen (EDS) as a means for a water-free, scalable cleaning process applicable to solar-power installations, including rooftop applications. We describe here the development of an EDS film-based cleaning process as an emerging method for use on PV modules, parabolic troughs, and heliostats. This report aims to show the feasibility of integrating or retrofitting EDS films onto the optical surfaces of solar collectors (both PV and CSP) while maintaining high transmission or reflection efficiency. The cleaning action provided by the EDS film is an active method to remove dust deposits by electrodynamic force. Current lab-scale prototype EDS films, retrofitted onto solar panels and mirrors, have shown to be capable of maintaining optical transmission or specular-reflection efficiencies higher than 90% of initial values under clean conditions. The optical surfaces of solar collectors laminated with EDS films can remove more than 90% of deposited dust when the EDS is activated for less than two minutes. As an electrodynamic dust removal process, the EDS film-based method is designed primarily for the removal of dust in solar installations located in semi-arid and desert areas, where the atmosphere is often dry and dusty and rainfall is infrequent. While EDS film application minimizes water consumption and facilitates cleaning as frequently as needed, it has limitations in removing contaminants such as soot, organic pollutants deposited as fine films on the surface, and bird droppings. The dust removal efficiency of the EDS is maximum at relative humidity RH is 40 to 50% and decreases at when RH > 65%. Many solar plant sites undergo diurnal and seasonal cycles of high ambient, early afternoon temperatures and an RH that reaches the dew point early in the morning. These variations in atmospheric conditions do not limit the operation of the EDS film. This report presents a brief review of the progress and the potential of EDS film technology for mitigating the impact of dust on solar collectors via water-free cleaning, as well as current technical challenges regarding efficiency and durability. Our experimental data on the performance of EDS films show that: (1) the dust-removal efficiency (DRE) can reach levels higher than 90%, (2) the specular reflectivity (SR) of EDS film-laminated second-surface mirrors reach levels in excess of 90%, (3) the specular reflectivity restoration (SRR) can exceed 90%, (4) the output-power restoration (OPR) of PV modules can exceed 95%, and (5) the optical transmission efficiency (TE) of the EDS films can be greater than 90%. Working with Sandia National Laboratories (NM), Corning Research and Development Corporation (NY), Eastman Kodak (NY), Tomark-Worthen Industries (NH), and EDS Chile SPA (Chile), we have produced EDS film-laminated PV modules and demonstrated their self-cleaning functions without requiring water. We have demonstrated that the operational range of EDS films will cover the expected ambient temperature of solar fields at RH cycling varying from 20 to 95% as long as the EDS films are activated in the RH range 20 to 50%. (Typical solar-field climates in deserts and semi-arid lands often reach near dew point in coastal areas.) Our experiments on the application of hydrophobic-fluorinated nanoparticle coatings on EDS film surfaces show that the EDS operational range can be extended to higher RH levels that approach the dew point. At Eastman Kodak, as one of our industrial partners, we were able to establish a process for manufacturing EDS films using flexographic printing of the electrodes onto transparent polymer films. This process utilizes an existing manufacturing line at Eastman Kodak that allows fabrication of medium-scale EDS films (26 cm × 30 cm). The manufacturing process has the capacity to produce EDS films at high production speeds. The medium-scale EDS films that have been printed at Kodak were evaluated in the lab at Boston University. The EDS films produced at Kodak were laminated at Tomark-Worthen using an industrial scale vacuum laminator to produce EDS film stacks, which can be affixed onto the optical surfaces of PV modules or concentrating mirrors. The EDS film stack consists of the EDS films that have Willow® Glass (WG) which has a thickness of 100 μm as the front surface. The WG sheets obtained from Corning Research and Development Corporation are customized in size and shape to cover the active area of the EDS films. The back surface of the EDS film stack is integrated onto the optical surface of the solar panel or mirror using optically clear adhesive (OCA) films or silicone adhesives. The OCA films (thickness 25 μm) are produced by 3M. The EDS film stacks have the architecture: WG/OCA/EDS Film/OCA/ over PV module or solar mirror. The power-supply units needed for activating the electrodes of the EDS film were designed and produced at Boston University. These power supply units provide three-phase, 1.2 kV voltage pulses at a very low current (micro-ampere) level and at a low frequency (≈ 5 Hz). The voltage pulses are applied to the electrodes in a sequence such that the train of pulses resembles a unidirectional traveling wave of electrical field on the surface of the EDS film. The dust particles on the surface become charged electrostatically and are levitated by the Coulomb force. The lateral sweeping action of the traveling electric field created by the three-phase voltages pulses then sweeps the dust off the surface. The energy consumed by the EDS electrodes is less than 0.2 Wh/m 2 /cleaning cycle, enabling energy-efficient restoration of output power (OPR) of PV module or specular reflectivity restoration (SRR) for solar mirrors. The EDS system consists of (1) an EDS film stack laminated onto the solar collectors, (2) connection of the EDS film to its power supply unit and (3) Interconnection of the power supply to PV modules or solar mirrors. Design, construction and assessment of field-testing units that have EDS stack laminated PV modules for evaluating the performance of the EDS films in solar fields is being carried out at BU. Our progress under this project, aimed at the advancement of EDS film technology, has reached DOE Technology Readiness Level (TRL) 6. Based on the extensive laboratory evaluations and limited field trials, as well as contacts with potential users, we believe that the technology has reached its commercial stage. We are conducting a cost analysis using the National Renewable Energy Laboratory (NREL) System Advisory Model (SAM) and are preparing for field trials of EDS films in different solar fields in the US, Chile, India and in the Middle East. A brief description of EDS film performance, construction and testing of the field-test unit, autonomous operation of the field-test unit for evaluating EDS performance in increasing energy yield, associated revenue savings, and water conservation is presented.

14 SOLAR ENERGY↗
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 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 OSTI2024

Atmospheric parameters and chemical abundances within 100 pc: a sample of G, K, and M main-sequence stars

ABSTRACT To date, we have access to enormous inventories of stellar spectra that allow the extraction of atmospheric parameters and chemical abundances essential in stellar studies. However, characterizing such a large amount of data is complex and requires a good understanding of the studied object to ensure reliable and homogeneous results. In this study, we present a methodology to measure homogenously the basic atmospheric parameters and detailed chemical abundances of over 1600 thin disc main-sequence stars in the 100 pc solar neighbourhood, using APOGEE-2 infrared spectra. We employed the code tonalli to determine the atmospheric parameters using a prior on $\log {g}$. The $\log {g}$ prior in tonalli implies an understanding of the treated population and helps to find physically coherent answers. Our atmospheric parameters agree within the typical uncertainties (100 K in $\mathrm{T_{eff}}$, 0.15 dex in $\log {g}$ and [M/H]) with previous estimations of ASPCAP and Gaia DR3. We use our temperatures to determine a new infrared colour–temperature sequence, in good agreement with previous works, that can be used for any main-sequence star. Additionally, we used the bacchus code to determine the abundances of Mg, Al, Si, Ca, and Fe in our sample. The five elements (Mg, Al, Si, Ca, Fe) studied have an abundance distribution centred around slightly subsolar values in agreement with previous results for the solar neighbourhood. The over 1600 main-sequence stars’ atmospheric parameters and chemical abundances presented here are useful in follow-up studies of the solar neighbourhood or as a training set for data-driven methods.

López-Valdivia, Ricardo (ORCID:0000000277950018)↗
DOE OSTI2022

The WRF-Solar Ensemble Prediction System: Development, Test, and Validation

Providing reliable probabilistic solar radiation information is needed to improve management of the uncertainty and variability of solar generation. Thus, guidance on how to develop skillful and accurate ensemble forecasts is essential and it will ultimately contribute to integration of high amounts of solar energy on the grid. A team from the National Renewable Energy Laboratory and the National Center for Atmospheric Research had been collaborating to develop the WRF-Solar ensemble prediction system (WRF-Solar EPS) in the past three years to produce probabilistic solar irradiance forecasts and better predict solar energy by quantifying forecast uncertainty. The WRF-Solar EPS basically generates ensemble members for solar irradiance based on stochastic perturbations to provide intraday and day-ahead probabilistic forecasts. This study will present main research steps in developing the WRF-Solar EPS including: (a) tangent linear analysis for identifying key input variables of six WRF-Solar modules significantly related to predicting of cloud and solar irradiance, (b) combining stochastic perturbation technique with the WRF-Solar model, and (c) ensemble calibration method to decrease error and uncertainty of ensemble-based solar forecasts. The capability of WRF-Solar EPS is now updated to the most recent version of standard WRF model. This presentation will summarize comprehensive results from the evaluation of forecasts against the National Solar Radiation Data Base as well as ground-measured observations. Moreover, we will introduce the user's guide for WRF-Solar EPS (e.g., parameters to configure stochastic perturbations) and future extension of this research.

day-ahead forecast↗
DOE OSTI2021

A parameterization of sub-grid topographical effects on solar radiation in the E3SM Land Model (version 1.0): implementation and evaluation over the Tibetan Plateau

Abstract. Topography exerts significant influences on the incoming solar radiation at the land surface. A few stand-alone regional and global atmospheric models have included parameterizations for sub-grid topographic effects on solar radiation. However, nearly all Earth system models (ESMs) that participated in the Coupled Model Intercomparison Project (CMIP6) use a plane-parallel (PP) radiative transfer scheme that assumes that the terrain is flat. In this study, we incorporated a well-validated sub-grid topographic (TOP) parameterization in the Energy Exascale Earth System Model (E3SM) Land Model (ELM) version 1.0 to quantify the effects of sub-grid topography on solar radiation flux, including the shadow effects and multi-scattering between adjacent terrain. We studied the role of sub-grid topography by performing ELM simulations with the PP and TOP schemes over the Tibetan Plateau (TP). Additional ELM simulations were performed at multiple spatial resolutions to investigate the role of spatial scale on sub-grid topographic effects on solar radiation. The Moderate Resolution Imaging Spectroradiometer (MODIS) data was used to compare with the ELM simulations. The results show that topography has non-negligible effects on surface energy budget, snow cover, snow depth, and surface temperature over the TP. The absolute differences in surface energy fluxes for net solar radiation, latent heat flux, and sensible heat flux between TOP and PP exceed 20, 10, and 5 W m−2, respectively. The differences in land surface albedo, snow cover fraction, snow depth, and surface temperature between TOP and PP exceed 0.1, 0.1, 10 cm, and 1 K, respectively. The magnitude of the sub-grid topographic effects is dependent on seasons and elevations and is also sensitive to the spatial scales. Although the sub-grid topographic effects on solar radiation are larger with more spatial details at finer spatial scales, they cannot be simply neglected at coarse spatial scales. When compared to MODIS data, incorporating the sub-grid topographic effects overall reduces the biases of ELM in simulating surface energy balance, snow cover, and surface temperature, especially in the high-elevation and snow-covered regions over the TP. The inclusion of sub-grid topographic effects on solar radiation parameterization in ELM will contribute to advancing our understanding of the role of the surface topography on terrestrial processes over complex terrain.

Hao, Dalei (ORCID:0000000334979774)↗
DOE OSTI2021

A Parameterization of Sub-grid Topographical Effects on Solar Radiation in the E3SM Land Model (Version 1.0): Implementation and Evaluation Over the Tibetan Plateau

Topography exerts significant influences on the incoming solar radiation at the land surface. A few stand-alone regional and global atmospheric models have included parameterizations for sub-grid topographic effects on solar radiation. However, nearly all Earth System Models (ESMs) that participated in the Coupled Model Intercomparison Project (CMIP6) use a plane-parallel (PP) radiative transfer scheme that assumes the terrain is flat. In this study, we incorporated a well-validated sub-grid topographic (TOP) parameterization in the Energy Exascale Earth System Model (E3SM) Land Model (ELM) version 1.0 to quantify the effects of sub-grid topography on solar radiation flux, including the shadow effects and multi-scattering between adjacent terrain. The Moderate Resolution Imaging Spectroradiometer (MODIS) data was used to evaluate the performance of ELM. We studied the role of sub-grid topography by performing ELM simulations with the PP and TOP schemes over the Tibetan Plateau (TP). Additional ELM simulations were performed at multiple spatial resolutions to investigate the role of spatial scale on sub-grid topographic effects on solar radiation. When compared to MODIS data, incorporating the sub-grid topographic effects overall reduces the biases of ELM in simulating surface energy balance, snow cover and surface temperature especially in the high-elevation and snow-cover regions over the TP. Topography has non-negligible effects on surface energy budget, snow cover, and surface temperature over the TP. The absolute differences in surface energy fluxes for net solar radiation, latent heat flux, and sensible heat flux between TOP and PP exceed 20 W/m 2 , 10 W/m 2 , and 5 W/m 2 , respectively. The differences in land surface albedo, snow cover fraction, and surface temperature between TOP and PP exceed 0.1, 20%, and 1K, respectively. The magnitude of the sub-grid topographic effects is dependent on seasons and elevations, and is also sensitive to the spatial scales. Although the sub-grid topographic effects on solar radiation are more significant with more spatial details at finer spatial scales, they cannot be simply neglected at coarse spatial scales. The inclusion of sub-grid topographic effects on solar radiation parameterization in ELM will contribute to advancing our understanding of the role of the surface topography on terrestrial processes over complex terrain.

58 GEOSCIENCES↗