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  1. Computational Fluid Dynamics-Based Modeling of Methane Flows Around Oil and Gas Equipment

    Recent studies estimate that emissions from oil and gas production facilities contribute between 20 and 50% of the total methane (CH4) emitted in the US; therefore, quantifying and reducing these emissions are crucial for achieving climate goals. Methane quantification depends on both measuring methane concentrations and converting them to emissions through a modeling framework. Currently, simple atmospheric dispersion models are primarily used to quantify emissions and concentrations, but these estimates are highly uncertain when quantifying emissions from complex aerodynamic sources, such as oil and gas facilities. This investigation used a CFD modeling approach, which can account for aerodynamic complexity butmore » has hitherto not been used to model methane concentrations downwind of a methane release of a known rate, and compared it against in situ measurements. High-time-resolution (1 Hz) methane concentration and meteorological data were measured during experiments conducted at the METEC on 21 March and 11 July 2024. The METEC site configuration, measured wind data, and controlled emission rates were used as input for the CONVERGE CFD model to model downwind CH4 concentration. The modeling was carried out between 20 and 70 m, from two different points of release in two separate controlled-release experiments, one from a separator and another from a wellhead. In these experiments, we found that the CFD model could predict the CH4 concentrations downwind of the release to a good degree. The model was evaluated on multiple metrics to assess its performance in estimating methane concentrations at typical fence line distances (∼30 m). These results help us to understand external flows and the ability of CFD models to predict downwind concentrations in aerodynamically complex environments.« less
  2. Evaluation and Intercomparison of Small Uncrewed Aircraft Systems Used for Atmospheric Research

    Abstract Small uncrewed aircraft systems (sUAS) are regularly being used to conduct atmospheric research and are starting to be used as a data source for informing weather models through data assimilation. However, only a limited number of studies have been conducted to evaluate the performance of these systems and assess their ability to replicate measurements from more traditional sensors such as radiosondes and towers. In the current work, we use data collected in central Oklahoma over a 2-week period to offer insight into the performance of five different sUAS platforms and associated sensors in measuring key weather data. This includesmore » data from three rotary-wing and two fixed-wing sUAS and included two commercially available systems and three university-developed research systems. Flight data were compared to regular radiosondes launched at the flight location, tower observations, and intercompared with data from other sUAS platforms. All platforms were shown to measure atmospheric state with reasonable accuracy, though there were some consistent biases detected for individual platforms. This information can be used to inform future studies using these platforms and is currently being used to provide estimated error covariances as required in support of assimilation of sUAS data into weather forecasting systems.« less
  3. Tomographic FLEET with a wedge array for multi-point three-component velocimetry

    Femtosecond laser electronic excitation tagging (FLEET) velocimetry is an important diagnostic technique for seedless velocimetry measurements particularly in supersonic and hypersonic flows. Typical FLEET measurements feature a single laser line and camera system to achieve one-component velocimetry along a line, although some multiple-spot and multiple-component configurations have been demonstrated. In this work, tomographic imaging is used to track the three-dimensional location of many FLEET spots. A quadscope is used to combine four unique views onto a single high-speed image intensifier and camera. Tomographic reconstructions of the FLEET emission are analyzed for three-component velocimetry from multiple FLEET spots. Glass wedges aremore » used to create many (nine) closely spaced FLEET spots with less than 10% transmission losses. These developments lead to a significant improvement in the dimensionality and spatial coverage of a FLEET instrument with some increases in experimental complexity and data processing. Multiple-point three-component FLEET velocimetry is demonstrated in an underexpanded jet.« less
  4. Evaluating Stage Motion for Automated Electron Microscopy

    Abstract Precise control is an essential and elusive quality of emerging self-driving transmission electron microscopes (TEMs). It is widely understood these instruments must be capable of performing rapid, high-volume, and arbitrary movements for practical self-driving operation. However, stage movements are difficult to automate at scale, owing to mechanical instability, hysteresis, and thermal drift. Such difficulties pose major barriers to artificial intelligence-directed microscope designs that require repeatable, precise movements. To guide design of emerging instruments, it is necessary to understand the behavior of existing mechanisms to identify rate limiting steps for full autonomy. Here, we describe a general framework to evaluatemore » stage motion in any TEM. We define metrics to evaluate stage degrees of freedom, propose solutions to improve performance, and comment on fundamental limits to automated experimentation using present hardware.« less
  5. Target Design for XFEL Experiments

    High-energy-density (HED) experiments utilizing X-ray free electron lasers (XFELs) must take a different approach to fielding these experiments than the current methodology used for the large HED facilities in the United States. The XFELs and their associated laser drivers have a much faster repetition rate than do the larger facilities. Experiments must be designed to execute hundreds rather than a few shots per experimental run. The new paradigm requires a different approach to data collection and analysis. It also requires an integrated approach to experiment and target design. Here, in this study, we developed new target designs for a futuremore » XFEL experiment that meet both experiment and cost goals.« less
  6. SOMAS: a platform for data-driven material discovery in redox flow battery development

    Abstract Aqueous organic redox flow batteries offer an environmentally benign, tunable, and safe route to large-scale energy storage. The energy density is one of the key performance parameters of organic redox flow batteries, which critically depends on the solubility of the redox-active molecule in water. Prediction of aqueous solubility remains a challenge in chemistry. Recently, machine learning models have been developed for molecular properties prediction in chemistry and material science. The fidelity of a machine learning model critically depends on the diversity, accuracy, and abundancy of the training datasets. We build a comprehensive open access organic molecular database “Solubility ofmore » Organic Molecules in Aqueous Solution” (SOMAS) containing about 12,000 molecules that covers wider chemical and solubility regimes suitable for aqueous organic redox flow battery development efforts. In addition to experimental solubility, we also provide eight distinctive quantum descriptors including optimized geometry derived from high-throughput density functional theory calculations along with six molecular descriptors for each molecule. SOMAS builds a critical foundation for future efforts in artificial intelligence-based solubility prediction models.« less
  7. Turbulent Rotating Rayleigh–Bénard Convection

    Rotation with thermally induced buoyancy governs many astrophysical and geophysical processes in the atmosphere, ocean, sun, and Earth's liquid-metal outer core. Rotating Rayleigh–Bénard convection (RRBC) is an experimental system that has features of rotation and buoyancy, where a container of height H and temperature difference Δ between its bottom and top is rotated about its vertical axis with angular velocity Ω. The strength of buoyancy is reflected in the Rayleigh number (~ H3Δ) and that of the Coriolis force in the Ekman and Rossby numbers (~Ω-1). Rotation suppresses the convective onset, introduces instabilities, changes the velocity boundary layers, modifies themore » shape of thermal structures from plumes to vortical columns, affects the large-scale circulation, and can decrease or enhance global heat transport depending on buoyant and Coriolis forcing. RRBC is an extremely rich system, with features directly comparable to geophysical and astrophysical phenomena. Here we review RRBC studies, suggest a unifying heat transport scaling approach for the transition between rotation-dominated and buoyancy-dominated regimes in RRBC, and discuss non-Oberbeck–Boussinesq and centrifugal effects.« less
  8. Characterization of multiterminal tandem photovoltaic devices and their subcell coupling

    Three-terminal (3T) and four-terminal (4T) tandem photovoltaic (PV) devices using various materials have been increasingly reported in the literature, but measurement standards are lacking. Here, multiterminal devices measured as functions of two load variables are characterized unambiguously as functions of three device voltages or currents on hexagonal plots. We demonstrate these measurement techniques using two GaInP/GaAs tandem solar cells, with a middle contact between the two subcells, as example 3T devices with both series-connected and reverse-connected subcells. Coupling mechanisms between the subcells are quantified within the context of a simple equivalent optoelectronic circuit. Electrical and optical coupling mechanisms are mostmore » clearly revealed using coupled dark measurements. These measurements are sensitive enough to observe very small luminescent coupling from the bottom subcell to the top subcell in the prototype 3T device. Quick simplified measurement techniques are also discussed within the context of the complete characterization.« less
  9. Rapid retrieval of first-order spatiotemporal distortions for ultrashort laser pulses

    High-intensity, ultrashort laser sources are a foundational pillar for High-Energy-Density (HED) physics, and as the repetition-rates of these systems increase, diagnostics must be developed to match their data collection speed. Characterization of any spatiotemporal distortions in the laser pulse is necessary in order to standardize results across facilities. Here, we have previously developed a laser diagnostic called Spatially and Temporally Resolved Intensity and Phase Evaluation Device: Full Information from a Single Hologram, or STRIPED FISH, to measure the full spatiotemporal laser electric field on a single shot. In order to provide rapid feedback, we here adapt the STRIPED FISH retrievalmore » algorithm, which typically has computation times of up to 30 minutes due to the high spatial resolution of the device and its retrieval of the complete four-dimensional pulse field, to distill the key electric field quantities into a handful of scalars for rapid assessment of the pulse's first order distortions. Here, our new, rapid non-iterative retrieval algorithm is validated with simulated and experimental data, and it provides, within seconds, the same first-order information as given by the full analysis. This algorithm is suitable for on-shot assessment of spatiotemporal distortions and can be adapted to assess high repetition-rate laser quality in HED experiments.« less
  10. Cell-level reliability testing procedures for CIGS photovoltaics

    The reliability of photovoltaics is commonly studied at the module level. Many reliability problems originate from module attributes, such as metal interconnections to cells, junction boxes. However, significant work in reliability can also be done prior to module design. Testing for reliability earlier in the research cycle increases the probability of avoiding common module reliability problems before cell changes are implemented on a large scale. Cell-level reliability studies can thus lower the rates of module failures in the field and provide confidence to investors that new technologies will perform as advertised. This report summarizes how we investigated three reliability concernsmore » in Cu(In,Ga)Se2 (CIGS) photovoltaics at the cell level: metastability, shading-induced damage, and potential-induced degradation (PID). We find that examining these concerns required developing robust measurement protocols including the fabrication of novel testing structures. This information will allow readers to incorporate sound metrics for investigating reliability phenomena and aid their studies of cell and module reliability improvements.« less
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