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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Perspectives on Microfluidics for the Study of Asphaltenes in Upstream Hydrocarbon Production: A Minireview

The utilization of microfluidics has generated deep insights into asphaltene precipitation mechanisms and oil–water emulsion stabilization. Agglomeration and precipitation of asphaltenes can cause flow assurance problems during the extraction and transportation of crude oil. Change in temperature, pressure, reservoir conditions, and solvents can change the local environment, leading to asphaltene precipitation. Understanding asphaltene properties and precipitation pathways becomes critical in devising mitigation methods, demulsifiers, and suitable conditions during hydrocarbon processing. Microfluidics has helped in high throughput measurement studies, understanding critical processing conditions, fast demulsifier screening, and the effect of solvent concentration on deposition, generating useful information for utilization at the point of resource extraction facilitating improved resource management. It has become possible to capture the porous, complex nature of reservoir formations and the interaction of chemicals during precipitation through integrated analytics and visualization studies available only through microfluidics. The use of droplet microfluidics, with optical microscopy and high-speed imaging to study the oil–water interface, has resulted in greater understanding of the role of asphaltenes in interfacial properties and emulsion stabilization. Here, this minireview highlights the crucial aspects of microfluidics that have been used to understand physicochemical behavior and dynamics of asphaltene deposition. Some of the unique devices have been presented focusing on the key elements of microfluidics design, fabrication, and analysis, as the insight obtained from microfluidics strongly depends on the device design and the controllability of the experimental parameters. Successful implementation of microfluidics for efficient and controlled experiments, short analysis time scales and rapid screening, and generation of high-quality, reliable data that convey asphaltene deposition issues and interface behavior in emulsions shows the importance of microsystems for advancing knowledge in hydrocarbon production and processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Rapid Identification of X-ray Diffraction Patterns Based on Very Limited Data by Interpretable Convolutional Neural Networks

Large volumes of data from material characterizations call for rapid and automatic data analysis to accelerate materials discovery. Herein, we report a convolutional neural network (CNN) that was trained based on theoretical data and very limited experimental data for fast identification of experimental X-ray diffraction (XRD) patterns of metal–organic frameworks (MOFs). To augment the data for training the model, noise was extracted from experimental data and shuffled; then it was merged with the main peaks that were extracted from theoretical spectra to synthesize new spectra. For the first time, one-to-one material identification was achieved. Theoretical MOFs patterns (1012) were augmented to a whole data set of 72 864 samples. It was then randomly shuffled and split into training (58 292 samples) and validation (14 572 samples) data sets at a ratio of 4:1. For the task of discriminating, the optimized model showed the highest identification accuracy of 96.7% for the top 5 ranking on a test data set of 30 hold-out samples. Neighborhood component analysis (NCA) on the experimental XRD samples shows that the samples from the same material are clustered in groups in the NCA map. Analysis on the class activation maps of the last CNN layer further discloses the mechanism by which the CNN model successfully identifies individual MOFs from the XRD patterns. Furthermore, this CNN model trained by the data augmentation technique would not only open numerous potential applications for identifying XRD patterns for different materials, but also pave avenues to autonomously analyze data by other characterization tools such as FTIR, Raman, and NMR spectroscopies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The next-generation magnetic recoil spectrometer (MRSnext) on OMEGA and NIF for diagnosing ion temperature, yield, areal density, and alpha heating

The next-generation magnetic recoil spectrometer (MRSnext) is being designed to replace the current MRS at the National Ignition Facility and OMEGA for measurements of the neutron spectrum from an inertial confinement fusion implosion. The MRSnext will provide a far-superior performance and faster data turnaround than the current MRS systems, i.e., a 2× and 6× improvement in energy resolution at the NIF and OMEGA, respectively, and 20× improvement in data turnaround time. The substantially improved performance of the MRSnext is enabled by using electromagnets that provide a short focal plane (12–16 cm) and unprecedented flexibility for a wide range of applications. In addition to being able to measure neutron yield, apparent ion temperature, areal density, and plasma-flow velocity over a wide range of yields, the NIF MRSnext will be able to directly, uniquely assess the alpha heating of the fuel ions through measurements of the alpha knock-on tail in the neutron spectrum. The goal is to implement a radiation-hard electronic detection system capable of providing rapid data acquisition and analysis. The development of the MRSnext will also set the foundation for the more advanced, time-resolving MRSt and serve as a testbed for its implementation on the NIF.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Nonlinear elasticity and damping govern ultrafast dynamics in click beetles

Many small animals use springs and latches to overcome the mechanical power output limitations of their muscles. Click beetles use springs and latches to bend their bodies at the thoracic hinge and then unbend extremely quickly, resulting in a clicking motion. When unconstrained, this quick clicking motion results in a jump. While the jumping motion has been studied in depth, the physical mechanisms enabling fast unbending have not. Here, we first identify and quantify the phases of the clicking motion: latching, loading, and energy release. We detail the motion kinematics and investigate the governing dynamics (forces) of the energy release. We use high-speed synchrotron X-ray imaging to observe and analyze the motion of the hinge’s internal structures of four Elater abruptus specimens. We show evidence that soft cuticle in the hinge contributes to the spring mechanism through rapid recoil. Using spectral analysis and nonlinear system identification, we determine the equation of motion and model the beetle as a nonlinear single-degree-of-freedom oscillator. Quadratic damping and snap-through buckling are identified to be the dominant damping and elastic forces, respectively, driving the angular position during the energy release phase. The methods used in this study provide experimental and analytical guidelines for the analysis of extreme motion, starting from motion observation to identifying the forces causing the movement. Here, the tools demonstrated here can be applied to other organisms to enhance our understanding of the energy storage and release strategies small animals use to achieve extreme accelerations repeatedly.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Scalar bounded-from-below conditions from Bayesian active learning

We present a procedure leveraging Bayesian deep active learning to rapidly produce highly accurate approximate bounded-from-below conditions for arbitrary renormalizable scalar potentials, in the form of a neural network which may be saved and exported for use in arbitrary parameter space scans. We explore the performance of our procedure on three different scalar potentials with either highly nontrivial or unknown symbolic bounded-from-below conditions (the most general two-Higgs doublet model, the three-Higgs doublet model, and a version of the Georgi-Machacek model without custodial symmetry). We find that we can produce fast and highly accurate binary classifiers for all three potentials. Furthermore, for the potentials for which no known symbolic necessary and sufficient conditions on boundedness-from-below exist, our classifiers substantially outperform some common approximate analytical methods, such as producing tractable sufficient but not necessary conditions or evaluating boundedness-from-below conditions for scenarios in which only a subset of the theory’s fields achieve vacuum expectation values. Our methodology can be readily adapted to any renormalizable scalar field theory. For the community’s use, we have developed a package, BFBrain, which allows for the rapid implementation of our analysis procedure on user-specified scalar potentials with a high degree of customizability. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2023

Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids

Dithienylethenes (DTEs) are a promising class of organic photoswitches that can be used to create crystalline solids with properties controlled by light. However, the ability of DTEs to adopt multiple conformations, only one of which is photoactive, complicates the rational design of these materials. Herein, the synthesis and structural characterization of 19 crystalline solids containing a single DTE molecule are described. A novel D – D analysis of the molecular geometries obtained from rotational potential energy surface calculations and the ensemble of experimental structures were used to construct a crystal landscape for DTE. Of the 19 crystal structures, 17 contained photoinactive DTE rotamers and only 2 were photoactive. These results highlight the challenges associated with the design of these materials. Overall, the D – D analysis described herein provides rapid, effective and intuitive means of linking the molecular structure to photoactivity that could be applied more broadly to afford a general strategy for producing photoactive diarylethene-based crystalline solids.

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

Deep-ultraviolet ptychographic pocket-scope (DART): mesoscale lensless molecular imaging with label-free spectroscopic contrast

The mesoscale characterization of biological specimens has traditionally required compromises between resolution, field-of-view, depth-of-field, and molecular specificity, with most approaches relying on external labels. Here we present the Deep-ultrAviolet ptychogRaphic pockeT-scope (DART), a handheld platform that transforms label-free molecular imaging through intrinsic deep-ultraviolet spectroscopic contrast. By leveraging biomolecules’ natural absorption fingerprints and combining them with lensless ptychographic microscopy, DART resolves down to 308-nm linewidths across centimeter-scale areas while maintaining millimeter-scale depth-of-field. The system’s virtual error-bin methodology effectively eliminates artifacts from limited temporal coherence and other optical imperfections, enabling high-fidelity molecular imaging without lenses. Through differential spectroscopic imaging at deep-ultraviolet wavelengths, DART quantitatively maps nucleic acid and protein distributions with femtogram sensitivity, providing an intrinsic basis for explainable virtual staining. We demonstrate DART’s capabilities through imaging of tissue sections, cytopathology specimens, blood cells, and neural populations, revealing detailed molecular contrast without external labels. The combination of high-resolution molecular mapping and broad mesoscale imaging in a portable platform opens new possibilities from rapid clinical diagnostics, tissue analysis, to biological characterization in space exploration.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

CONUS-wide Projected Flood Frequency and Uncertainty Estimates, Version 1.0

This dataset presents a large-ensemble of CONUS-wide projected flood frequency and uncertainty estimates across ~2.7 million NHDPlusV2 river reaches over the CONUS. The framework producing this dataset leverages a multi-model, uncertainty-aware modeling framework that allows evaluating shifts in flood frequences at the stream reach level across the CONUS. CONUS-wide ensemble streamflow projections generated from hydrologic simulations driven by downscaled and bias-corrected Coupled Model Intercomparison Project Phase 6 (CMIP6) outputs are used to derive these flood frequency and uncertainty estimates over the period 1980 - 2099. A spatially consistent regional L-moment algorithm is applied across clusters defined by the US Hydrologic Unit Code Subregions (HUC4s and HUC8s) and NHDPlusV2 stream orders to estimate flood frequencies. The dataset also includes at-site based flood estimates that allow for the comparison between local and regional approach-based estimates, assess projected changes, and characterize their uncertainties. For more reliable estimation of rare flood frequencies such as 500 and 1000-year return periods, super-ensemble based estimates are also included in the dataset. This dataset is derived to support the "Impact-Informed Dam Safety Risk Assessment for Securing Hydropower Assests" project for the US Department of Energy (DOE) Hydropower and Hydrokinetic Office (H2O). For further details, refer to Kao et al. (2022), Ghimire et al. (2023), Ghimire et al. (2025), and Hosking and Wallis (1997).

Ghimire, Ganesh [ORNL] (ORCID:0000000242843941)↗
DOE OSTI2024

Mitigation of Safety and Environmental Challenges Posed by Low and Ultra-low GWP Refrigerants

The abatement of safety and environmental burden associated with low and ultra-low Global Warming Potential (GWP) refrigerants is a critical undertaking. As the industry shifts towards more environmentally friendly alternatives, mitigating the potential risks and ensuring safety standards becomes paramount. The adoption of low GWP and ultra-low GWP refrigerants contributes significantly to minimizing the greenhouse gas impact on the environment, aligning with global climate and sustainability goals. However, it is essential to address safety concerns and potential environmental implications associated with the end use of these refrigerants.A method to mitigate the safety risk in a flammable refrigerant based HVACR system is the primary focus of this paper. Advent of A2L and A3 refrigerants as replacements to high GWP refrigerants requires careful handling of leak episodes to lower or eliminate the risk associated with creating flammable mixtures capable of fire/explosion hazard. Solid materials tailored to target the molecule of interest (i.e., refrigerant.) by engineering the microporous structure as well as chemically functionalizing the surface to attract and hold on to the chemical compound being removed from the gas stream was realized. Additionally, a chromatic transformation technique is investigated for rapid on-site analysis of refrigerant blends. Preliminary results demonstrating the feasibility of both of these methods for successful deployment of low-GWP refrigerants are presented.

Cheekatamarla, Praveen↗
DOE OSTI2023

Time-Gated Raman Spectroscopy (Intern Final Report)

Time-gated Raman spectroscopy is a powerful tool for rapid non-destructive analysis of chemical compounds, particularly when combined with other investigative methods. Time-gating the signal obtained from a sample during Raman spectroscopy allows for the removal of background emission and black body radiation, improving clarity and accuracy of scans. The main objectives of this project were to prove the lab’s time-gated Raman spectroscopy system works as proof of concept and to make select improvements to the in-house LabVIEW software used to run the time-gated system. This time-gated system will be added to the CTK’s TAP reactors in the future, but this is out of the scope of this internship project. This research is important, as understanding the mechanisms behind catalysts leads to designing better systems/materials and the perfection of catalysts, and energy-efficient chemical manufacturing is key when designing a greener future. The research for this project was done with samples at both ambient conditions in sample holders and at operando conditions (i.e., high temperature, unsteady-state) inside a small-volume chemical reactor. Numerous spectro-kinetic scans of the catalysts were obtained, but the advanced dynamics of these systems are still being interpreted. There is data that demonstrates that the time-gated system is correctly rejecting emission from samples, and one can observe real-time changes in the signal from the sample, due to coking or changes induced by redox chemistry. Chemical manufacturers and the planet are the main beneficiaries of catalysis research, as better catalysts will reduce carbon emissions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Salt Vessel-Sample Generator Interface

The goal of the salt sampling program at Argonne is to develop and deploy automated molten salt sampling approaches for interfacing relevant unit operations with salt analysis to improve the timeliness and accuracy of sampling-based accountancy measurements. One technology under development is a vacuum sampler loop module. In this system, molten salt is drawn from a process vessel through a heated sampling line and into a charge vessel. Next, one or more samples are split from the volume in the charge vessel and the remaining salt is returned to the process. The vacuum sampler loop module is being developed to interface with other sample processing and analysis modules to enable rapid at-line sample characterization. The main purpose of the vacuum sampling loop module is to enable the collection of samples that are more representative of the bulk salt by replacing traditional point samplers (i.e., dip probes) with a sampling approach that captures a larger cross section of salt. Additionally, the vacuum sampling approach eliminates the risk of dross contamination of samples and avoids the use of moving parts in the salt. Two methods of interfacing the vacuum sampling loop with a precision pneumatic sample generator were investigated in FY21. This report covers the testing of fluidic coupling between the two modules. Two iterations of the fluidically coupled modules were tested. The first iteration system coupled the two modules using a freeze valve to seal the vacuum sampler during filling and to control flow into the pneumatic sample generator. While this integrated system functioned as intended, some changes were implemented to make the system more robust and better suited to remote deployment. Specifically, the system was made to be more modular and active control of the vacuum filling operation was replaced with a passive control mechanism. For passive filling, the salt charge vessel was vented to a small gas tank that was at negative pressure, causing salt to be drawn into the vessel until the force of the fluid head was in equilibrium with the gas pressure. The passive control system performed well and will be used in future iterations. Another change in the second system was a newly configured pneumatic sample generator in which sample ejection occurred through a hole in the reservoir’s stainless-steel side wall instead of through a non-wetted sapphire orifice on the bottom. This alternate configuration may be better suited for near-process deployment because it enables on-line orifice maintenance and an orifice bypass drain back to the process. A third change in the second iteration system was the transition to a two-chamber charge vessel which split off a fraction of the sampled salt as a liquid aliquot. The goal was to create a buffer mechanism that would allow reproducible aliquoting of samples, independently of variability in the charge vessel fill height. While the two-chamber design was functional, the sample size reproducibility was below target values. To improve reproducibility and overcome many of the impediments to remote deployment of the vacuum sampling loop module, separate work was conducted to replace the two-chamber liquid aliquoting mechanism with aliquoting into single-use sample tubes. Solid salt transfer in the sample tubes will replace fluidic coupling for integrating the vacuum sampler with downstream modules. Because the proposed operations can all be executed with simple overhead actuation mechanisms or other existing hot-cell technology, there will be no need for large investments in novel hot cell sample handling technologies using this alternate approach. As such, near-term deployment of the vacuum sampling technology will be achievable. This new approach for automated coupling of sample tubes with down-stream modules is covered in a separate FY21 report, and a remotely operated version of the vacuum sampler loop module with the tube aliquoting feature is planned for FY22.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

California - Quality-Controlled Reanalysis and Observational Data for Buoy (130), Morro Bay / Derived Data

This collection provides spatiotemporally paired reanalysis and satellite data to supplement the lidar buoy observations during the California deployments. Point time series of observed and reanalysis data are provided, using inverse distance weighting to geolocate the reanalysis data to the buoy location. Gridded time series of reanalysis data are provided, covering the California coast and extending into the Pacific Ocean. Satellite data in the coastal California region are also provided. The reanalysis collection includes the Modern-Era Retrospective Analysis for Research and Applications version 2 (MERRA-2), the Climate Forecast System version 2 (CFSv2), the North American Regional Reanalysis (NARR), the European Centre for Medium-Range Weather Forecasts Reanalysis version 5 (ERA5), and the analysis system of the Rapid Refresh (RAP). The satellite data collection is that of Ribal and Young (2019). All datasets are publicly available with the sources provided in the References section.

17 WIND ENERGY↗
DOE OSTI2023

California - Quality-controlled Reanalysis and Observational Data for Buoy (120), Humboldt / Derived Data

This collection provides spatiotemporally paired reanalysis and satellite data to supplement the lidar buoy observations during the California deployments. Point time series of observed and reanalysis data are provided, using inverse distance weighting to geolocate the reanalysis data to the buoy location. Gridded time series of reanalysis data are provided, covering the California coast and extending into the Pacific Ocean. Satellite data in the coastal California region are also provided. The reanalysis collection includes the Modern-Era Retrospective Analysis for Research and Applications version 2 (MERRA-2), the Climate Forecast System version 2 (CFSv2), the North American Regional Reanalysis (NARR), the European Centre for Medium-Range Weather Forecasts Reanalysis version 5 (ERA5), and the analysis system of the Rapid Refresh (RAP). The satellite data collection is that of Ribal and Young (2019). All datasets are publicly available with the sources provided in the References section.

17 WIND ENERGY↗
DOE OSTI2020

Validation of Reanalysis-Based Offshore Wind Resource Characterization Using Lidar Buoy Observations

The offshore wind industry in the U.S. is gaining strong momentum to achieve sustainable energy goals, and the need for observations to provide resource characterization and model validation is greater than ever. Pacific Northwest National Laboratory (PNNL) operates two lidar buoys for the U.S. Department of Energy (DOE) in order to collect hub height wind data and associated meteorological and oceanographic information near the surface in areas of interest for offshore wind development. This work evaluates the performance of commonly used reanalysis products and spatial approximation techniques using lidar buoy observations off the coast of New Jersey and Virginia, USA. Reanalysis products are essential tools in order to set performance expectations and quantify the wind resource variability at a given site. Long-term accurate observations at typical wind turbine hub-heights have been lacking at offshore locations. Using wind speed observations from both lidar buoy deployments, biases and degrees of correspondence for the Modern Era Retrospective Analysis for Research and Applications-2 (MERRA-2), the North American Regional Reanalysis (NARR), and the analysis system of the Rapid Refresh (RAP) are examined both at hub height and near surface. Results provide insights on the performance and uncertainty of using reanalysis products for long-term wind resource characterization.

lidar buoy, model validation, offshore wind energy↗
DOE OSTI2022

Offshore reanalysis wind speed assessment across the wind turbine rotor layer off the United States Pacific coast

Abstract. The California Pacific coast is characterized by considerable wind resource and areas of dense population, propelling interest in offshore wind energy as the United States moves toward a sustainable and decarbonized energy future. Reanalysis models continue to serve the wind energy community in a multitude of ways, and the need for validation in locations where observations have been historically limited, such as offshore environments, is strong. The U.S. Department of Energy (DOE) owns two lidar buoys that collect wind speed observations across the wind turbine rotor layer along with meteorological and oceanographic data near the surface to characterize the wind resource. Lidar buoy data collected from recent deployments off the northern California coast near Humboldt County and the central California coast near Morro Bay allow for validation of commonly used reanalysis products. In this article, wind speeds from the Modern-Era Retrospective analysis for Research and Applications version 2 (MERRA-2), the Climate Forecast System version 2 (CFSv2), the North American Regional Reanalysis (NARR), the European Centre for Medium-Range Weather Forecasts Reanalysis version 5 (ERA5), and the analysis system of the Rapid Refresh (RAP) are validated at heights within the wind turbine rotor layer ranging from 50 to 100 m. The validation results offer guidance on the performance and uncertainty associated with utilizing reanalyses for offshore wind resource characterization, providing the offshore wind energy community with information on the conditions that lead to reanalysis error. At both California coast locations, the reanalyses tend to underestimate the observed rotor-level wind resource. Occasions of large reanalysis error occur in conjunction with stable atmospheric conditions, wind speeds associated with peak turbine power production (> 10 m s−1), and mischaracterization of the diurnal wind speed cycle in summer months.

17 WIND ENERGY↗
DOE OSTI2025

An Exceptionally Powerful, Radiatively Driven Ultrafast Outflow in the Rapidly Accreting AGN RE J1034+396

We report the analysis of ∼1 Ms of XMM-Newton observations of the rapidly accreting active galactic nucleus RE J1034+396. The 0.3–9 keV EPIC-pn spectra are well described by a model consisting of steep continuum emission from the corona accompanied by relativistically blurred reflection from a highly ionized accretion disk. The source is known to exhibit strong excess soft X-ray emission, which we show is well represented by thermal disk photons Comptonized by a warm plasma spanning the inner accretion flow. Additionally, the EPIC-pn data provide compelling evidence (ΔC ∼ 60 for four additional parameters) for the presence of an ultrafast outflow (UFO) with a line-of-sight velocity v/c = 0.307$^{+0.001}_{-0.005}$, and an emission signature consistent with reflection of the corona from modestly ionized, outflowing gas. The simultaneous 0.5–2.5 keV RGS spectra show clear absorption lines. Modelling of these data confirms the presence of the UFO and constrains its equivalent hydrogen column density, log N H /(atom cm −2 ) = 21.7$^{+0.1}_{-0.2}$. The RGS data also reveal at least two warm absorber components with a modest outflow velocity (1680$^{+40}_{-50}$ km s -1 ). The measured properties and time evolution of the UFO in RE J1034+396 suggest that it is formed from collisionally ionized plasma, launched from the disk surface and accelerated by radiation pressure. The high terminal velocity and substantial absorbing column density imply that the outflow carries sufficient momentum and energy to transform its environment, being capable of driving out essentially all dust and gas it interacts with along the line of sight, even if the AGN were initially surrounded by a Compton-thick absorber.

79 ASTRONOMY AND ASTROPHYSICS↗