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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 1,243 records · Page 69

Sapsan: Framework for Supernovae Turbulence Modeling with Machine Learning

Sapsan is a framework designed to make Machine Learning (ML) more accessible in the study of turbulence, with a focus on astrophysical applications. Sapsan includes modules to load, filter, subsample, batch, and split the data from hydrodynamic (HD) simulations for training and validation. Next, the framework includes built-in conventional and physically-motivated estimators that have been used for turbulence modeling. This ties into Sapsan’s custom estimator module, aimed at designing a custom ML model layer-by-layer, which is the core benefit of using the framework. To share your custom model, every new project created via Sapsan comes with pre-filled, ready-for-release Docker files. Furthermore, training and evaluation modules come with Sapsan as well. The latter, among other features, includes the construction of power spectra and comparison to established analytical turbulence closure models, such as a gradient model. Thus, Sapsan attempts to minimize the hard work required for data preparation and analysis, leaving one to focus on the ML model design itself.

79 ASTRONOMY AND ASTROPHYSICS↗

PyPVRPM: Photovoltaic Reliability and Performance Model in Python

The ability to perform accurate techno-economic analysis of solar photovoltaic (PV) systems is essential for bankability and investment purposes. Most energy yield models assume an almost flawless operation (i.e., no failures); however, realistically, components fail and get repaired stochastically. This package, PyPVRPM, is a Python translation and improvement of the Language Kit (LK) based PhotoVoltaic Reliability Performance Model (PVRPM), which was first developed at Sandia National Laboratories in Goldsim software (Granata et al., 2011) (Miller et al., 2012). PyPVRPM allows the user to define a PV system at a specific location and incorporate failure, repair, and detection rates and distributions to calculate energy yield and other financial metrics such as the levelized cost of energy and net present value (Klise, Lavrova, et al., 2017). Our package is a simulation tool that uses NREL’s Python interface for System Advisor Model (SAM) (National Renewable Energy Laboratory, 2020b) (National Renewable Energy Laboratory, 2020a) to evaluate the performance of a PV plant throughout its lifetime by considering component reliability metrics. Besides the numerous benefits from migrating to Python (e.g., speed, libraries, batch analyses), it also expands on the failure and repair processes from the LK version by including the ability to vary monitoring strategies. These failures, repairs, and monitoring processes are based on user-defined distributions and values, enabling a more accurate and realistic representation of cost and availability throughout a PV system’s lifetime.

97 MATHEMATICS AND COMPUTING↗

Chemical Recommender System: Replacement Suggestions for Small Molecules

The Chemical Recommender System (CRS) is an open-source, high-performance toolkit that enables real-time similarity searches across the complete PubChem database (over 50 million molecules) using commodity hardware. The CRS addresses critical limitations in existing chemical informatics platforms through a novel vector database infrastructure, extensible model integration capabilities, and complete algorithmic transparency. The system implements a vector database deployment with partitioned indexing that achieves a ~60x speedup over traditional approaches. A containerized model integration framework allows researchers to seamlessly incorporate custom predictive models into the full-scale search and scoring pipeline, while complete configurability of search parameters, filtering logic, and scoring functions provides capabilities not available in existing black-box solutions. Beyond structural similarity, the CRS integrates OPERA QSAR models for thermophysical and toxicity predictions, RDKit synthetic accessibility scoring, and user-defined models to compute weighted final replacement scores. The complete system is accessible through an interactive web application supporting real-time progress monitoring, post-processing score re-weighting, automated PDF reporting, and batch processing capabilities.

Nair, Parthiv Anand [Sandia National Laboratories ↗

Novel Proppant Logging Technique for Infill Drilling of Unconventional Shale Wells

Summary During the development of an unconventional play, wells are drilled and completed in batches, and depending on the development plans, current and expected energy market trends, as well as other developmental considerations, new wells are drilled and hydraulically fractured later near existing producing laterals. This creates challenges in terms of optimizing resource recovery and reducing interwell communication. A novel approach is proposed that utilizes systematic composite sampling and analysis of drilling mud returns to look for and quantitatively identify sand particles. The workflow involves cleaning, drying, and segregation of samples into sizes of interest to us (size distribution of pumped proppant in offset parent wells). These samples are imaged at a very high resolution and analyzed for grains using characteristic optical imaging properties to classify proppant sand particles using computer vision algorithms. Further analysis, such as elemental compositional analysis, is used to validate the results from the imaging workflow. We present a case study from the Permian Basin, where a new child well was used as a test case to prove this technology at the Hydraulic Fracturing Test Site (HFTS-2) in Delaware Basin. We introduce new proppant parameters that help identify sustained proppant zones vs. localized propped fractures. We have used additional diagnostics and data collected at the test site to validate observations from the proppant log and have successfully interpreted significantly propped vs. unpropped zones. A key finding from this test has been the significant proppant transport distances observed away from parent wells. Observable proppant was found at a lateral distance of approximately 425 m for one set of parent wells and more than 915 m for another set of parent wells. While a major limitation of this technique is the sampling rate, given adequate sampling, the proposed technology represents a systematic and one-of-a-kind interpretation of spatial proppant distribution while drilling infill wells. It provides us with unique opportunities to better understand the current state of the reservoir being targeted, including zones that are likely highly drained relative to others, and how the planned hydraulic fracturing of child wells can be improved.

Energy & Fuels↗

Online Learning and Pricing for Network Revenue Management with Reusable Resources

We consider a price-based network revenue management problem with multiple products and multiple reusable resources. Each randomly arriving customer requests a product (service) that needs to occupy a sequence of reusable resources (servers). We adopt an incomplete information setting where the firm does not know the price-demand function for each product and the goal is to dynamically set prices of all products to maximize the total expected revenue of serving customers. We propose novel batched bandit learning algorithms for finding near-optimal pricing policies, and show that they admit a near-optimal cumulative regret bound of $O(J\sqrt{XT})$, where J, X, and T, are the numbers of products, candidate prices, and service periods, respectively. As part of our regret analysis, we develop the first finite-time mixing time analysis of an open network queueing system (i.e., the celebrated Jackson Network), which could be of independent interest. Our numerical studies show that the proposed approaches perform consistently well.

42 ENGINEERING↗

Purification of Degraded Aqueous Piperazine by Ion Exchange and Carbon Treating

Amine purification by ion exchange and carbon treating has been performed for decades to maintain low solvent impurity levels in amines used in natural gas sweetening. The use of these purification methods to remove dissolved metal catalysts and other impurities from amines used in post-combustion carbon capture is less well known. This report presents batch experiments testing the equilibrium adsorption of impurities from degraded piperazine (PZ) onto activated carbon and various ion exchange resins. Compared to cationic exchange, anionic exchange was found to better remove catalytic Fe and UV active species, making it a better candidate for large-scale PZ purification. Carbon treating greatly outperforms anion exchange in the removal of UV active species, but the adsorbents’ difference is less pronounced for the removal of other impurities. Equilibrium adsorption was determined by the UV absorption of the PZ solution at 320 nm, and the results will show this may not be an accurate way to determine equilibrium. Further bench-scale experiments comparing ion exchange and carbon treating are necessary before advancing to larger-scale testing.

amine purification↗

Solvent Hold Tank Sample Results for MCU-19-366- 367-368 (April 2019), MCU-19-469-470-471 (May 2019), MCU-19-524-525-526 (June 2019): Quarterly Report

A trend summary of three sets of Solvent Hold Tank (SHT) monthly samples MCU-19-366-367-368 (April), MCU-19-469-470-471 (May), and MCU-19-524-525-526 (June) are reported. Most of the conclusions are based on the June SHT sample (MCU-19-524-525-526). Analyses of the June SHT sample (MCU-19-524- 525-526) indicated that the Modifier (Cs-7SB) and the Extractant (MaxCalix) concentrations were below their nominal recommended concentrations (169,000 mg/L and 46,900 mg/L respectively) by 4% and 2% respectively but consistent with previously observed levels during normal runs. The Suppressor (N,N’,N”– tris(3,7-dimethyloctyl)guanidine or TiDG) concentration has decreased since the March 2019 measurement to 793 mg/L, which is above the minimum recommended concentration (479 mg/L). The Semi-Volatile Organic Analysis (SVOA) did not detect any impurities. However, the Fourier Transform Hydrogen Nuclear Magnetic Resonance (FT-HNMR) analysis detected presence of phthalates at a few ppm. The impurity concentration was highest in the April sample and consistently detected in the May and June samples (but always registered as a few ppm or less). Another impurity observed in the samples was mercury. Based on the June SHT sample, up to 25 ± 5 micrograms of mercury per mL of solvent was detected (as the average of the Direct Mercury Analysis (DMA) and X-Ray Fluorescence (XRF) methods). The higher mercury concentration in the solvent (as determined in the last three-monthly samples) is possibly due to the higher mercury concentration in Salt Batches 9 and 10. The gamma concentration (~2.90E4 dpm/mL) measured in the June 2019 SHT samples was consistent with previous values observed when the Modular Caustic-Side Solvent Extraction Unit (MCU) was operating continuously (for example, between December 2016 and January 2017). Statistical analysis of the different analytical methods detected a bias between the FT-HNMR and the High Performance Liquid Chromatography (HPLC) methods when measuring the MaxCalix and Modifier concentrations; the FT-HNMR gave a higher concentration possibly due to peak overlapping in the measured data. A bias was detected when measuring total mercury by the DMA method versus the XRF method with the XRF method reported higher mercury concentrations. The laboratory will continue to monitor the quality of the solvent for any new impurities or degradation of the solvent components.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Conversion of Uranium Metal to Uranyl Sulfate Solution

Experiments involving conversion of uranium (U) metal to U 3 O 8 , followed by dissolution to form uranyl sulfate solution, were performed with batches of up to 300 g of U metal. The focus was to identify major U species formed during the oxidation process, determine the particle size distribution of the uranium oxide product, and identify the size of the dissolution vessel needed to accommodate the exothermic reaction during the conversion of U 3 O 8 to uranyl sulfate using 30% hydrogen peroxide and H 2 SO 4 . The information obtained in this study will be used for designing full-scale processes to convert kilogram quantities of U metal to uranyl sulfate solution with a concentration of 300 g U/L.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Recovery of Rare Earth Elements (REEs) from Coal Mine Drainage, Phase 2

Phase 1 research identified a two-step refining train, acid leaching of AMD precipitate feed followed by solvent extraction (SX), to produce a 2% TREE product. For the Phase 2 bench scale system, the objective was to get the acid leaching step to operate in batch-mode with sufficient storage capacity to feed an aqueous, enriched REE liquor to a pilot SX plant operating in continuous-mode at a feed rate capable of producing 3 g/hr 2% TREE. Important process variables included feed rate, extractant makeup, flowsheet configuration, and stripping conditions. Operating parameters were optimized through a feedback-capable SCADA system configured for the SX bench scale plant. These conditions were met and exceeded. TREE grades approaching 90% were produced while our Techno-Economic Assessment indicated highly favorable economic returns. The project led to the design of a pilot facility for producing roughly 500 kg/TREE/year. That plant is now in the procurement stage with constructed expected to begin in late 2020.

01 COAL, LIGNITE, AND PEAT↗

Modeling Molten Salt Reactor Fission Product Removal with SCALE

Liquid-fuel Molten Salt Reactors (MSRs) allow for continuous online fuel treatment and processing using a variety of subsystems. Among these subsystems, the off-gas system (OGS) continuously removes fission products from the primary fuel salt through a helium sparging process. Accurately modeling fission product behavior is paramount for the development of MSRs; while there are a variety of depletion modeling and simulation tools that allow for removal of material from a defined system, most of them work in a semicontinuous, batch-wise manner. The new tools implemented into TRITON, in the SCALE suite for reactor analysis and design, aim to address this issue by implementing truly continuous material feeds and removals. In addition, material accountancy is enhanced in these tools, which enable tracking of removed material in user-specified mixtures. These continuous depletion tools provide a way to model material transport throughout systems more efficiently and accurately. This report validates the new SCALE MSR modeling capabilities using data from the Molten Salt Reactor Experiment (MSRE). After a framework was established for deriving realistic removal rates based on design specifications, these rates were used by TRITON to continuously remove specific elements while performing burnup calculations. Results were compared to those obtained in MSRE, with a focus on the 135 Xe poison fraction. After these capabilities were validated, the learned concepts and best practices were applied to model the Molten Salt Breeder Reactor (MSBR) and the Molten Salt Demonstration Reactor (MSDR) to study the effects of continuous fission product removal in fuel salt reactivity, as well as the lifetime effects.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Recovery of Rare Earth Elements (REEs) from Coal Mine Drainage, Phase 2

Phase 1 research identified a two-step refining train, acid leaching of AMD precipitate feed followed by solvent extraction (SX), to produce a 2% TREE product. For the Phase 2 bench scale system, the objective was to get the acid leaching step to operate in batch-mode with sufficient storage capacity to feed an aqueous, enriched REE liquor to a pilot SX plant operating in continuous-mode at a feed rate capable of producing 3 g/hr 2% TREE. Important process variables included feed rate, extractant makeup, flowsheet configuration, and stripping conditions. Operating parameters were optimized through a feedback-capable SCADA system configured for the SX bench scale plant. These conditions were met and exceeded. TREE grades approaching 90% were produced while our Techno-Economic Assessment indicated highly favorable economic returns. The project led to the design of a pilot facility for producing roughly 500 kg/TREE/year. That plant is now in the procurement stage with constructed expected to begin in late 2020.

01 COAL, LIGNITE, AND PEAT↗

Separation and Purification of Berkelium-249 and Einsteinium-254

Berkelium-249 ( 249 Bk) and einsteinium-254 ( 254 Es) are isotopes of great importance for the investigation of berkelium and einsteinium chemical properties and super heavy element research. Therefore, it is necessary to be able to isolate acceptable, pure quantities of both isotopes to further research capabilities. These isotopes, along with californium-252 ( 252 Cf), are synthesized through the irradiation of mixed-curium targets in the High Flux Isotope Reactor (HFIR), which has the highest continuous thermal neutron flux in the world. Once irradiated, the targets are transferred to the Radiochemical Engineering Development Center for further chemical processing and final purification to separate 249 Bk and 254 Es from the remainder of isotopes present. Several methods of separation, such as the Berkex batch solvent extraction along with cation-exchange and alpha-hydroxy-isobutyrate (AHIB) columns, are employed to achieve a clean separation of the isotopes. Production Campaigns 74–77 are discussed in depth for 252 Cf, 249 Bk, and 254 Es production and isolation of 249 Bk and 254 Es. An attempt to isolate 257 Fm in Campaign 77 is discussed as well. Table 1 summarizes the total amount of material isolated in each campaign.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Swab Tensile Testing and Procedures

This tensile test is to mimic the worst-case scenario of the swab being caught on an obstruction when being pulled out of the nasopharyngeal space. It is to determine how much tensile force the swab can withstand without breaking. A variety of different swabs (different materials and different geometries) were tested using the protocol outlined in Section 2 (Tensile Testing Procedure). Not all of the swabs were pre-treated using the Autoclave. For those swabs that were pre-treated using the Autoclave, the tensile tests were performed within 6 hours of completion of the Autoclave pre-treatment, unless otherwise noted. The FormLabs-USF and FormLabs-Northwell were printed at LLNL using FormLabs Surgical Grade V1 Resin on a Form 3B Printer. Results Summary: All FormLabs design and treatment variations (e.g. autoclaving and “aging”) had higher tensile strength compared commercial swabs. Autoclaving degraded the tensile strength. “Aging” after autoclaving improved the tensile strength. “Aging” without autoclaving degraded the tensile strength. No differences were observed in tensile strength with different autoclaving protocols. No significant differences were observed in tensile strength for different batches.

59 BASIC BIOLOGICAL SCIENCES↗

Identification and characterization of an oleaginous microalgal base strain for use in bio-based poly-urethane production

In collaboration with Checkerspot, Inc, researchers at ABPDU have successfully demonstrated production of algal lipids at high rate, titer, and yield in fed-batch fermentation. This technology enables high-intensity fermentation of sugars to algal oil, helping to reduce the cost of algal oils as a highly customizable feedstock for development of new bio-based polyurethanes.

59 BASIC BIOLOGICAL SCIENCES↗

Analysis of Ionic Mercury Species in SRR Samples Measured by SRNL and Eurofins FGS

Savannah River Remediation (SRR) requested the development of mercury speciation capabilities at the Savannah River National Laboratory (SRNL) to support the Liquid Waste Operations at SRS. As part of that method development, SRR requested that SRNL Analytical Development (AD) compare their results with those obtained from their outside contract laboratory, Eurofins Frontier Global Sciences (FGS). This document reports on this method development work performed at SRNL as well as the comparative analyses conducted between the two laboratories. Development, optimization, and validation were undertaken at SRNL to produce a method for the species-specific analysis of ionic mercury. This method was developed as a secondary step to an existing method, L16.1-ADS-1579 Purgeable Mercury Cold Vapor Atomic Fluorescence Spectrophotometry. As such, much of the development and validation were performed in service of development of L16.1-ADS-1579. Six samples, representing two consecutive quarterly Tank 50 batches, were tested for ionic mercury by SRNL-AD and Eurofins FGS. The mean values reported by each lab for ionic mercury differed by less than one standard deviation, therefore the values reported by both labs were considered to be in agreement. SRNL-AD reported values for the six samples that differed by -5.56 mean percent, relative to Eurofins FGS. Together with comparable quality control data reported by each laboratory, these data represent a high level of agreement among both laboratories. With a viable method for ionic mercury that matches the data quality provided by outside commercial laboratories, SRNL-AD has demonstrated competency in measuring methylmercury, ethylmercury, total mercury, soluble & particulate mercury, purgeable mercury, and ionic mercury species in a variety of radioactive tank samples.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Development of a Novel Bioprocess for Synthesizing and Purifying Adipic Acid

Through DOE’s Bioenergy Technologies Office and the Energy Efficiency and Renewable Energy Small Business Voucher (SBV) Pilot, ZymoChem, Inc received support to work with the ABPDU to accelerate the development of a novel adipic acid (AA) bioprocess by evaluating technologies to demonstrate the following: 1) Process development of AA via ZymoChem’s carbon-conserving (C 2 ) pathway in 2L bioreactors, using industrial feedstocks, and as a salt with hexamethylenediamine (HMDA), i.e., the industrially desired form of AA as AA-HMDA is the precursor for nylon 6,6 synthesis. 2) Pilot scale aerobic fermentation at the 300 L scale (stage 1) followed by a high cell density (HCD) anaerobic resting cell biotransformation (RCB) at the 50 L scale (stage 2). 3) Demonstration of a viable recovery process at the 50 L scale for purifying the product (i.e., AA-HMDA salt) and deliver multiple kg-quantity batches of purified product for further testing.

09 BIOMASS FUELS↗

Evaluation of the Dissolution Behavior of L-Bundle End Caps and HFIR Fuel Carriers

The H-Canyon facility is currently using the 6.1D dissolver for the dissolution of Material Test Reactor (MTR) fuel and the 6.4D dissolver for the dissolution of High Flux Isotope Reactor (HFIR) fuel using mercury-catalyzed HNO₃ dissolution flowsheets. The processing strategy for both dissolvers involves the dissolution of multiple charges of fuel per batch. After the designated heating cycle, the dissolvers are opened, and the charging wells are probed to determine if the MTR or HFIR fuel has dissolved. If undissolved fuel fragments are beyond a certain height, the dissolver must be closed and heated for an additional amount of time to dissolve the remaining material. In recent MTR fuel dissolutions, “high probes” (i.e., excessive undissolved material) were frequently observed, which resulted in extended dissolution times. The suspected cause of the high probes was the incomplete dissolution of the L-Bundle End Cap, rather than the fuel or fuel bundles. The End Cap is hypothesized to be binding in the insert well and not dropping into the acid as the L-Bundle and fuel dissolve. Once the End Cap is dislodged by the probe and drops into the acid, the dissolution rate of the End Cap appears to be significantly reduced compared to the dissolution rate of the fuel and other parts of the L-Bundle. A similar issue has also been observed with the lifting bail on the HFIR fuel carriers. During HFIR fuel dissolutions, the lifting bail on the outer carrier has resulted in high probes due to incomplete dissolution. In one case, a partially dissolved bail was caught in one of the insert well holes which prevented the probe from going to the bottom of the well.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Dual Phase Soft Magnetic Laminates for Low-cost, Non/Reduced-Rare-Earth Containing Electrical Machines

To accelerate the mass market adoption of electric drive vehicles, the key technology barriers in electric motors are (1) magnet cost and rare-earth element price volatility; (2) non-rare-earth electric motor performance; and (3) materials property optimization. The goal of this project was to address these barriers by advancing a unique and innovative dual phase soft magnetic material technology and demonstrating the material in a 30-kW synchronous reluctance motor without using any permanent magnet for electric vehicles. Dual phase magnetic materials offer the electric motor designer the ability to locally control the magnetic saturation level in a motor laminate, while at the same time enhancing the mechanical strength of the laminate material, resulting in an enhancement in motor performance and efficiency. Scalable dual phase soft magnetic laminates manufacturing technologies were developed in collaboration with multiple US manufacturers. 1000 lbs of alloy sheet with a thickness of 0.25mm and width of 280 mm was manufactured within the specifications. Batch sizes of up to 240 laminates per run were produced from the alloy sheet. Two prototype motors with dual phase soft magnetic laminates were designed, built, and tested. The major goal of building the subscale prototype as a pathway to develop scalable manufacturing technologies for the dual phase soft magnetic laminates was met. The additional goal of building and testing the subscale prototype in order to validate the calculated performance with the tested motor performance was also met. For the full-scale 30kW continuous power synchronous reluctance motor prototype, the tested performance met the targets in terms of continuous power at the operating speeds up to 8000 rpm. Post-test studies were conducted and the root causes for the discrepancy between the predicted and tested peak power, continuous power at high speed range, and efficiency were identified. Further modeling study showed that the dual phase rotor machine has a 27% higher torque to active weight ratio than an equivalent performance silicon steel rotor machine. Application space and multiple discussions with traction motor and electric vehicle manufacturers for commercialization of the dual phase soft magnetic material technology were identified and conducted. An initial cost model was established based on the developed manufacturing technologies with the US manufacturers. Future paths for further cost reduction were identified, including increasing the market volume by broadening the applications of the dual phase soft magnetic laminate technology for electric machines in other energy sections such as oil & gas, heating, ventilation, and air conditioning (HVAC), and power generation.

33 ADVANCED PROPULSION SYSTEMS↗