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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

MODFLOW6 models used to evaluate potential stresses and hydrologic conditions driving water-level fluctuations in well ER-5-3-2, Frenchman Flat, Southern Nevada

The hydrograph for well ER-5-3-2 in Frenchman Flat, southern Nevada, has previously unexplained water-level fluctuations. Four, three-dimensional, groundwater models (MODFLOW 6) were developed to evaluate potential stresses and hydrologic conditions affecting the well ER-5-3-2 hydrograph. Four model scenarios were developed that simulated: (1) wellbore leakage without recharge, (2) wellbore leakage with recharge, (3) shallow (low transmissivity) and deep (high transmissivity) carbonate rocks, and (4) lateral heterogeneity of carbonate rocks. Input and output files for the four model scenarios are in the model and output directories, respectively. Hydraulic conductivity, specific storage, and wellbore-leakage rates (when simulated) were estimated with parameter estimation (PEST) by minimizing a weighted composite, sum-of-squares objective function. The objective function was informed by measurement and Tikhonov regularization observations. Measurement observations included drawdowns from the constant-rate aquifer test and water-level altitudes measured in well ER-5-3-2 from 2001-2021. Tikhonov regularization informed hydraulic conductivity and specific storage parameters that were insensitive to measurement observations, where homogeneity was the preferred relation. Batch files, executables, and MODFLOW 6, PEST, and post-processing utilities are in the ancillary directory. Supplementary data also are included in the ancillary directory, including site information, high-frequency water-level and aquifer-test data, transmissivity estimates, water-chemistry data, and water-temperature analyses. This USGS data release contains data, analyses, and model files for the simulations and analysis results described in U.S. Geological Survey Scientific Investigations Report (https://doi.org/10.3133/sir20225132).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Retrieval and Management of TRU Sludge at Hanford K-Basin - 19641

At the US Department of Energy Hanford site, the K-East and K-West reactor fuel storage basins (KE or KW Basin) were used in the 1970's and 1980's to store more than 100,000 uranium fuel rods and rod fragments that had been irradiated in the Hanford N Reactor. Approximately 2,100 metric tons of spent nuclear fuel that had been stored in the KW Basin were removed in 2004. Over time a mixture of small fuel corrosion particles, fuel rod metal fragments, and other debris accumulated in the KW Basin from the degradation of the spent nuclear fuel during storage. This is the source of the TRU sludge stored in the KW Basin. The corrosion products mixed with windblown sand, concrete dust, and other debris in the basin to form what is known as sludge. In 2006/2007 KE Basin sludge of similar origin as the KW Basin was transferred to KW Basin. Approximately 27 m{sup 3} of highly radioactive sludge was collected and consolidated underwater in six specially designed engineered containers. The mission of the Hanford Sludge Treatment Project (STP) is to develop and deploy technologies to safely retrieve, transport, and interim store the approximately 27 m{sup 3} of remote-handled transuranic (RH-TRU) sludge that is stored in the KW Basin. After extensive technology development, testing (with a bounding range of simulants), design, and procurement a sludge removal and storage system called the Engineered Container Retrieval and Transfer System (ECRTS) completed acceptance testing in 2018. The ECRTS system is designed to remotely retrieve and transport high density, highly erosive, uranium metal pieces as well as small low-density particles. The ECRTS system includes a retrieval tool based on the XAGO{sup tm} design from the United Kingdom, a heavily modified positive displacement pump, a hose-in-hose transfer system, a Sludge Transport and Storage Container (STSC), a settling and decant system, and a shielded transport system. The first sludge transfer was successfully completed on June 12, 2018 proving that the ECRTS process equipment worked as intended on the actual sludge. Three batches (i.e. transfer and decant) were required to obtain a ∼ 100% fill of the first STSC. The STSC was then transported to the on-site storage facility. Over 20 STSCs will be filled with RH-TRU sludge over approximately 16 months. This paper will discuss the issues and successes associated with this project including the operational aspects of this new system. Experience gained from this successful project should assist anyone with the need to retrieve and manage remote handled sludge from fuel storage basins. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Recovery of postconsumer mechanically recycled polymers

Mechanical recycling plays a key role in reducing landfill bound plastics that pollute our environment. This process converts plastic waste into marketable pellets by sorting, cleaning, grinding into flakes, compounding in the molten state, and ultimately pelletizing. A primary restriction for the widescale usage of mechanical recycling is the highly variable quality and mechanical properties of the plastic waste feedstock. Degradation can occur during the plastic life cycle with the consumer, during the mechanical processing itself, or during the complex sorting process required to produce the feedstock. This study explores how rheological characterization can mitigate the batch-to-batch variability and identify a potential application for each batch. Shear and extensional rheology of “application-specific” virgin high-density polyethylene (HDPE) and virgin polypropylene (PP) was used as the control for this categorization process. Recycled HDPE and PP from three different streams were then measured and compared to the results from the control study. Rheological measurements proved to be very effective at providing sufficient differentiation to categorize the recycled polymer as suitable for different applications such as injection molding, blow molding, or thermoforming. Finally, the usage of an additional step to sort the recycled polymers by their initial use application was found to achieve a remarkably consistent recovery of application-specific material properties. Furthermore, this secondary sorting could provide significant added value for mechanically recycled polymers.

Differential scanning calorimetry↗
DOE OSTI2016

Manufacturing demonstration of microbially mediated zinc sulfide nanoparticles in pilot-plant scale reactors

The thermophilic anaerobic metal-reducing bacterium Thermoanaerobacter sp. X513 efficiently produces zinc sulfide (ZnS) nanoparticles (NPs) in laboratory-scale ( ≤24-L) reactors. To determine whether this process can be up-scaled and adapted for pilot-plant production while maintaining NP yield and quality, a series of meso-scale experiments were performed using 100-l and 900-l reactors. Pasteurization and N 2 -sparging replaced autoclaving and boiling for deoxygenating media in the transition from small-scale to pilot-plant reactors. Consecutive 100-L batches using new or recycled media produced ZnS NPs with highly reproducible ~2 nm average crystallite size (ACS) and yields of ~0.5g L -1 , similar to small-scale batches. The 900-L pilot plant reactor produced ~ 320 g ZnS without process optimization or replacement of used medium; this quantity would be sufficient to form a ZnS thin film with ~120 nm thickness over 0.5 m width 13 km length. At all scales, the bacteria produced significant amounts of acetic, lactic and formic acids, which could be neutralized by the controlled addition of sodium hydroxide without the use of an organic pH buffer, eliminating 98% of the buffer chemical costs. In conclusion, the final NP products were characterized using XRD, ICP-OES, FTIR, DLS, and C/N analyses, which confirmed the growth medium without organic buffer enhanced the ZnS NP properties by reducing carbon and nitrogen surface coatings and supporting better dispersivity with similar ACS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Application of a Dual-Column Method to Selectively Extract and Purify Berkelium-249 from Other Actinides and Impurities

The super heavy element (SHE) Tennessine (Ts, Element 117) was discovered in 2016 a collaboration of US and Russian scientists vis bombardment reaction of 249 Bk + 48 Ca $\rightarrow$ 117 Ts, while the target element 249 Bk (half-life 330d) was produced and provided by the Radiochemical Engineering Development Center (REDC), Oak Ridge National Laboratory (ORNL). The production of 249 Bk at REDC, ORNL requires a multi-step chemical process of irradiated curium feedstock target to remove all fission product (FP) elements and to separate 249 Bk from other actinide (An) elements (Am, Cm, Cf, Fm and Es), including: Caustic Dissolution, Acid Dissolution, Cleanex, two LiCl Anion Exchanges, LiOH Precipitation, Cation Exchange with AHIB, and with Bk Finishing as the final Bk purification step. The major product of this campaign is 252 Cf, while 249 Bk is one of important by-products. The current Cf campaign for recovery of c.a. 15 mg of 249 Bk per campaign (not including the time for Finishing of Cf, Fm and Es) takes 6 or 7 months, including ~3 months spent on Bk Finishing. Bk Finishing includes two major processes: (1) BERKEX, operated inside a hot cell with two cycles of batch solvent extraction (SX) using di-2-ethylhexyl phosphoric acid (HDEHP) as the extractant for tetravalent 249 Bk from an 8 $M$ HNO 3 -0.3 $M$ NaBrO 3 solution; and (2) Cation Exchange (CX) with AHIB (α-Hydroxy isobutyric acid), operated inside a glove box laboratory. Entire Bk Finishing takes five SX, more than five column runs and several drying down processes for aqueous solutions including one from 500 mL to 1 mL for volume reduction. To shorten the Bk Finishing period and simplify the Bk purification operation steps, possibilities of using other resin columns were explored.Recent trials using columns of either $LN$ resin or $MP$-1 anion exchange resin adsorbing the tetravalent 249 Bk 4+ in 8 $M$ HNO 3 -0.5 $M$ NaBrO 3 , followed by eluting impurities (e.g. Ce 4+ ,Cf 3+ ) and stripping 249 Bk resulted in a new Dual Column Method of selectively separating 249 Bk from other trans-plutonium elements and fission product (FP) impurities. This new method is proposed to replace the current Bk Finishing and provide increased Bk purification effeciency and a shorter processing period of 4 to 5 months (less decay loss for higher 249 Bk productivity). This TM Report discusses the trial experimental results, describes the dual column method with relevant chemistry issues and possibilities being used in further process steps ahead of the Bk Finishing.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2016

Selected Profiles of Burnup and Isotopic Concentrations in Pebble Bed High Temperature Reactor Fuel

Pebble Bed High Temperature Reactors (PB-HTRs) feature a unique fuel loading, burnup, and discharge process that is markedly different that a light water reactor or any other batch-loaded reactor that uses fixed fuel elements. During PB-HTR operation, small spherical fuel elements are dropped onto the top of the bed at small and regular intervals, 'trickle' through the core, and pass out of the core via a discharge chute at the bottom. Partially burnt pebbles are circulated back to the top of the core for another pass through the flux field. The process continues until the pebble achieves a specified discharge burnup. This results in high fuel utilization relative to a comparable batch-loaded fuel assembly which may or may not achieve full burnup depending upon where it is placed in the core. On the other hand, the radial and axial variation in the flux field and the random placement of each element on top of the bed mean that there will be a distribution of the final burnup and isotopic concentrations in spent fuel. This leads to some uncertainty in burnup analysis that has consequences for burnup monitoring (and thus efficient operation), source term quantification, and material accountability. The PEBBED code was developed specifically for the design and analysis of PB-HTRs. Although it is still under development, the code captures the important physics of cores fueled by dropping in, and if so configured, recirculating small graphite spheres in which the Tri-Isotropic (TRISO) coated particle fuel is embedded. In this study, the capabilities of the code for computing the isotopic contents of PBR fuel were exploited to examine and compare the variability of selected isotopes, in this case U-235, Pu-239, and Cs-137, in the fuel discharged from different PBR concepts. Results indicate the sensitivity of certain isotopes to the core geometry, mainly the presence of an inner reflector. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

Recovery of Rare Earth Elements from Coal Mining Waste Materials

The objective of this proposed project was to locate coal overburden material that had rare earth elements (REEs) at concentrations of 300 ppm or higher. After securing the feedstock the next goal was to efficiently extract and purify the feedstocks to a purity of greater than 95%. A techno economic analysis was conducted to determine the economic viability of mining and processing REEs associated with Appalachian coal deposits. All aspects of mining, mineral processing, by-product potential, waste management, permitting and economics were examined. Attention was paid to the separation, degree of purification and marketing of Rare Earth elements. Along with REEs we evaluated the economics of the recovery of other metals of interest aong with the REEs. Our site location chosen was at the Jeddo Coal Site near Hazleton, Pennsylvania. The primary site was at the Upper Leigh High Mine. However, that changed to the North Eckley Mine site. We have analyzed a third site that will now be our second alternative to North Eckley. That site is the Highland mine site. This site is in a similar basin as the North Eckley site. During this project we evaluated various acids and extraction conditions. We have settled on using HCl as the acid of choice. One of the advantages of using HCl is it allows for easy removal of the highest contaminating metal, iron. When iron reacts with HCl in the presence of high chlorides it creates the anion complex FeCl 4 -1 . This FeCl 4 -1 complex will bind with an anion exchange resin. Greater than 99.8% of the iron is removed with this technique. Once the FeCl 4 -1 complex is bound to the anion exchange resin it can be released easily by just passing water over it. This water dilutes the FeCl 4 -1 to form FeCl 3 which is not anionic and therefore not attracted to the anion exchange resin. The FeCl 3 solution is a popular water flocculating agent used all over the world for water purification. We plan on this being one of our products produced. One of our goals was to create a multipurpose facility that was capable of handling multiple feedstocks. The proposed multipurpose facility will be able process all coal biproducts and coal products. These include 1.) clays that can easily be leached with ion exchange or acid 2.) Hard mineral deposits that can be leached with high pressure acid digestion 3.) Fly ash can be leached in the high-pressure acid digestion reactor. Fly ash is not a focus of this proposal but, the beneficial aspect of its utilization in this design cannot be overlooked. 4.) Acid Mine Drainage (AMD) Sludge is a high source of REE’s and can easily be dissolved to form a pregnant leach solution. Not shown on this simplified block flow diagram but crucial to its success is the recycle of acids. Our REE separation system is a continuous ion exchange process. The first stage is the separation of the non-REEs from the REEs. This is accomplished because the REEs are relatively larger than most of the non-REEs and typically have higher oxidation states (+3) than the non-REEs. In this step all the elements stick onto the column. However, as the columns are rinsed with various concentrations of acids different elements come off. For example, monovalent elements such as sodium and potassium elute off the column with a 1M HCl solution. Divalent elements such as calcium and magnesium do not elute until a 2M HCl solution is passed over the columns. The trivalent elements (REEs) are not eluted until a much higher concentrated acid is passed of the columns. Iron is also a trivalent, but it was removed in a prior anion exchange system. Aluminum is trivalent too, but it is much smaller than the REE atoms and elutes near the end of the 2 M HCl with the divalents. At the stage 2 and 3 our volume and masses have become too small to run on the continuous system. Therefore, we used a batch chromatography column or a flash chromatography column. The stage 2 process separates these REEs into 3 different fractions. A light, mid and heavy fraction. We calculated that we recovered greater than 90% of the REEs. This third column was packed with a different stationary phase. Five elements were chosen and purified to higher than 95% purity as shown by our internal testing. These elements were shipped to the DOE.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Novel Application of Hybrid Anion Exchange Resin for Phosphate Desorption Kinetics in Soils: Minimizing Re-Adsorption of Desorbed Ions

The process of phosphate desorption from soils is difficult to measure using stirred batch techniques because of the accumulation of desorbed ions in a bathing solution. To accurately measure the apparent rate coefficient of phosphate desorption from soils, it is necessary to remove the desorbed ions. In this study, a novel hybrid (i.e., iron oxide coated) anion exchange resin was used as a sink to study long-term (seven days) P desorption kinetics in intensively managed agricultural soils in the Midwestern U.S. (total phosphorus (TP): 196–419 mg/kg). The phosphate desorption kinetics in the hybrid anion exchange resin method were compared with those in the other conventional batch desorption method with pure anion exchange resins or without any sink. The extent of P desorption in the hybrid resin methods was >50% of total desorbed phosphate in the other methods. The initial kinetic rate estimated in the pseudo-second-order kinetic model was also highest (3.03–31.35 mg/(g·hr)) in the hybrid resin method when the same soil system was compared. This is because adsorbed P in the hybrid resins was nearly irreversible. The hybrid anion exchange resin might be a new and ideal sink in measuring the P desorption process in soils and sediments

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Kinetics Modeling for Design of Continuous Enzymatic Hydrolysis

Enzymatic hydrolysis of cellulose to monomeric sugars continues to be a limiting step in cost-effectively producing sugar and fermentation-based biofuels from biomass. In particular, the high cost of enzymes coupled with the long time-scale of reaction pose challenges to economic viability. Performing enzymatic hydrolysis in a continuous mode with enzyme recycle may provide a path towards substantially reduced costs for sugar production, but design and analysis are complicated by a lack of suitable kinetics models. Computationally attainable models, such as fractal-based models, require knowledge of the reaction-history of the biomass, and are thus only suitable for describing the batch reactions from which they are derived. Fundamental models, while potentially more generalizable, are often too computationally intensive to use in process or reactor modeling. In this work, a phenomenological rate model is proposed based on a two-phase substrate representation. Good agreement is seen between batch and continuous enzymatic hydrolysis (CEH) experiment data, which validates the model and enables us to solve for reactor design parameters, such as CEH reactor size and stream flow rates, based on process variables like yield. This model is integrated with techno-economic analysis software to explore economic sensitivities. Important design optimizations and tradeoffs are identified and quantified, including the relative cost imposed by rate slowdown from sugar inhibition versus the cost to remove and concentrate sugars at a lower concentration. It also identifies, high-leverage avenues for further exploration, such as increasing the maximum feasible solids concentration, and sustaining high membrane flux and reliability.

09 BIOMASS FUELS↗
DOE OSTI2015

Prediction of microalgae hydrothermal liquefaction products from feedstock biochemical composition

Hydrothermal liquefaction (HTL) uses water under elevated temperatures and pressures (200–350 °C, 5–20 MPa) to convert biomass into liquid “biocrude” oil. Despite extensive reports on factors influencing microalgae cell composition during cultivation and separate reports on HTL products linked to cell composition, the field still lacks a quantitative model to predict HTL conversion product yield and qualities from feedstock biochemical composition; the tailoring of microalgae feedstock for downstream conversion is a unique and critical aspect of microalgae biofuels that must be leveraged upon for optimization of the whole process. This study developed predictive relationships for HTL biocrude yield and other conversion product characteristics based on HTL of Nannochloropsis oculata batches harvested with a wide range of compositions (23–59% dw lipids, 58–17% dw proteins, 12–22% dw carbohydrates) and a defatted batch (0% dw lipids, 75% dw proteins, 19% dw carbohydrates). HTL biocrude yield (33–68% dw) and carbon distribution (49–83%) increased in proportion to the fatty acid (FA) content. A component additivity model (predicting biocrude yield from lipid, protein, and carbohydrates) was more accurate predicting literature yields for diverse microalgae species than previous additivity models derived from model compounds. FA profiling of the biocrude product showed strong links to the initial feedstock FA profile of the lipid component, demonstrating that HTL acts as a water-based extraction process for FAs; the remainder non-FA structural components could be represented using the defatted batch. These findings were used to introduce a new FA-based model that predicts biocrude oil yields along with other critical parameters, and is capable of adjusting for the wide variations in HTL methodology and microalgae species through the defatted batch. Lastly, the FA model was linked to an upstream cultivation model (Phototrophic Process Model), providing for the first time an integrated modeling framework to overcome a critical barrier to microalgae-derived HTL biofuels and enable predictive analysis of the overall microalgal-to-biofuel process.

09 BIOMASS FUELS↗
DOE OSTI2024

Schema Elements for Granta Annual Report: FY2024

Granta: Materials Intelligence (Granta: MI) is a commercial database software distributed by Ansys, Inc. that is utilized by the Nuclear Security Enterprise (NSE) to organize and store relevant materials data. Lack of standard and well-documented database schema is the primary obstacle to an NSE materials data management solution, so the objective of this project is to create and document such a schema. In FY21, an approach for designing, documenting, and managing a standard database schema was described based on the creation of schema elements (collections of attributes used to describe particular aspects of the data) to be used as building blocks for creating various database tables without duplication. In FY22, these methods were applied through a multi-site collaboration to create and document the schema elements necessary to build a thermogravimetric analysis (TGA) testing table. In FY23 the schema was expanded to include elements for a differential scanning calorimetry (DSC) table, along with schema for supporting metadata tables including Instruments, Projects, Documents, and Testing Series. In FY24 the following progress was made, again through multi-site collaboration: • The existing schema elements were modified to accommodate thermomechanical analysis (TMA) data, and a table, Test Data: TMA, was created for managing TMA data. • The elements necessary for the following additive manufacturing (AM) data tables (directed at data specific to selective laser sintering AM technology) were created: • AM Builds • AM Processes • AM Part Designs • Built AM Parts • AM Feedstock Materials • AM Feedstock Material Batches • The elements necessary for creating a Calibrated Material Models table were created, and the Calibrated Material Models table was created. In FY25 the existing schema will be deployed on the production enterprise Granta instance on the enterprise secure network. Schema elements will be appended, and new elements created as necessary, to allow the creation of tables specifically to support materials testing, AM process development, and design and analysis for modernization programs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Deconvoluting sources of variability in aerosol jet printing using light scattering measurements

Aerosol jet printing (AJP) is a digital additive manufacturing technique for hybrid and conformal electronics, where its contactless deposition readily enables patterning over 3D surface topography. However, the complexity of aerosol transport physics makes deposition rate sensitive to process variability, hindering widespread industry adoption. Light scattering measurements have recently been demonstrated as a capable tool for measuring deposition rate in real time, enabling closed-loop control and in-situ qualification frameworks. These inline optical measurements present further opportunity as a diagnostic tool to understand the effects of secondary process parameters affecting vapor–liquid equilibrium and heat and mass transport during deposition. Downstream of the optical measurement cell, changing the sheath gas flow rate, increasing temperature via an inline heater, and adding solvent vapor via a sheath gas bubbler were observed to alter drying physics during sheath-collimation, and thereby impaction efficiency. Further upstream, the introduction of solvent vapor via a carrier gas bubbler and liquid build-up in the printhead were seen to affect the quantitative relationship between the light scattering data and the true deposition rate. Using this information, tightened controls of meaningful secondary parameters were implemented to improve the batch-to-batch consistency for printing a dielectric ink. In addition to advancing AJP process reliability for production, this work demonstrates the capability of inline optical measurements to provide insight into process physics and deconvolute competing mechanisms that underly variability.

additive manufacturing↗
DOE OSTI2023

Technical Evaluation of Accelerated Basin De-Inventory Material Addition to Sludge Batch 11

Savannah River Nuclear Solutions has a need to discard spent nuclear fuel (SNF), currently stored in L Basin, to the Defense Waste Processing Facility (DWPF) for vitrification. The Department of Energy (DOE) has approved the Accelerated Basin De-inventory (ABD) Program for discarding SNF via transfers from H-Canyon to the Savannah River Site (SRS) Liquid Waste (LW) system. The first ABD discards will occur during the preparation of Sludge Batch (SB) 11. An initial impact evaluation of the LW flowsheet was performed by the Savannah River National Laboratory (SRNL) prior to the approval of the ABD Program. This evaluation addressed the LW downstream facilities based on the current H-Canyon flowsheet sequence for the average ABD discard. The flowsheet evaluation only included aluminum-clad SNF, specifically Materials Test Reactor (MTR) fuel and High Flux Isotope Reactor (HFIR) fuel similar to the planned SB11 discard. Following this evaluation, the flowsheet has been slightly altered to address (i) new nuclear criticality safety controls for DWPF that credit a higher amount of gadolinium as a neutron poison for all of the enriched uranium contained in a SB and (ii) potential additions of the H-Canyon neutralized fuel stream prior to the Low Temperature Aluminum Dissolution (LTAD) process in Tank 51. The early introduction of ABD material into the SB assembly process is being investigated to provide flexibility regarding transfer opportunities for H-Canyon to Tank 51 for SB11 and future sludge batches.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Open Specy 1.0: Automated (Hyper)spectroscopy for Microplastics

Microplastic spectral analysis is one of the most time-consuming processes in studying microplastic pollution, often requiring days per sample. Researchers are transitioning to automated batch and hyperspectral image analysis techniques to enhance efficiency. Open Specy, initially aimed at manual single-spectrum analysis, has now integrated automated methods. This updated version, Open Specy 1.0, introduces several new features, including two algorithms for automated processing (smoothing and particle compression), an extensive library containing over 40,000 open-source Raman and FTIR spectra, and two machine learning classifiers (logistic regression and k medoids) developed from this library. Furthermore, it includes a revamped user interface, an R package, and a benchmark data set for testing future advancements in automated techniques. Researchers evaluated various configurations for hyperspectral smoothing, particle identification, compression, and splitting, to achieve combined recovery rates between 50 and 150% particle counts, identities, and sizes with a coefficient of variation (CV) of less than 40% (the accredited standard). Mean absorbance times the standard deviation provided a consistent particle identification. Hyperspectral smoothing led to a 96% combined recovery rate and reduced variability (CV = 38%) compared to the 86% recovery (CV = 83%) of nonsmoothed controls. Additionally, compressing spectra for particles was significantly faster (>3x) and showed similar accuracy but with reduced variability than processing each pixel individually. Key challenges persist in automating spectral analysis, particularly in refining particle splitting algorithms, and improving identification routines to minimize false positives and negatives. In conclusion, new methods in sample preparation for better stabilization and dispersion of particles could overcome some of these issues.

13 HYDRO ENERGY↗
DOE OSTI2019

Amine Functionalized Electrospun Cellulose Nanofibers for Fluoride Adsorption from Drinking Water

In this study, we synthesized amine functionalized cellulose nanofiber based adsorbent for effective removal of dissolved fluoride ions from groundwater samples. Cellulose acetate was electrospun into nanofibers followed by deacetylation to yield cellulose nanofibers which were then treated with ethylenediamine to prepare amine functionalized cellulose fabric to be used as an adsorbent. As- synthesized adsorbent was first characterized by scanning electron microscopy and Fourier transform infrared spectroscopy for physiochemical characteristics. Fluoride adsorption studies were then carried out under batch mode to study the influence of various parameters on adsorption process. Amine functionalized cellulose nanofibrous mat was found to be effective with high adsorption efficiency for removal of fluoride ions from aqueous solution, even at low fluoride concentrations (< 5 mg L{sup −1}). Adsorption mechanism of fluoride onto prepared cellulose nanofibers based adsorbent was explained from the studies of isotherms, kinetic and thermodynamic parameters. Field studies conducted using this amine functionalized cellulose nanofibrous mat revealed the suitability and effectiveness of adsorbent for fluoride removal from contaminated groundwater.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Characterization of Nonmetallic Inclusions in 18CrNiMo7-6

The detrimental effect of nonmetallic inclusions (NMIs) in steels on, e.g., fatigue lifetime is well known. In order to increase the durability and safety of materials and components, inclusion control and a deep understanding of inclusion formation are essential. The present study examines the formation of inclusions as well as their content, type, morphology, and size distribution for different batches of the steel alloy 18CrNiMo7-6 (AISI 4317), which was processed with various refractory crucible materials. To this end, extensive metallographic investigations were carried out including fracture surface analyses, metallographic sections, and the chemical extraction of inclusions. Scanning electron microscopy supported by energy-dispersive X-ray spectroscopy was used alongside electron backscatter diffraction for the qualitative and quantitative analysis of the NMIs. Oxide contents were found to have a significant effect on sulfide precipitation behavior, and had a strong impact on the resulting sizes and numbers of inclusions. The formation and growth of sulfides and oxide-sulfides featuring different morphologies is discussed on the basis of these experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High-level co-production of 3-hydroxypropionic acid and 1,3-propanediol from glycerol: Metabolic engineering and process optimization

3-Hydroxypropionic acid (3-HP) and 1,3-propanediol (1,3-PDO) are value-added chemicals with versatile applications in the chemical, pharmaceutical, and food industries. Nevertheless, sustainable production of 3-HP and 1,3-PDO is often limited by the lack of efficient strains and suitable fermentation configurations. We report attempts have been made to improve the co-production of both metabolites through metabolic engineering of Escherichia coli and process optimization. First, the 3-HP and 1,3-PDO co-biosynthetic pathways were recruited and optimized in E. coli, followed by coupling the pathways to the transhydrogenase-mediated cofactor regeneration systems that increased cofactor availability and product synthesis. Next, pathway rebalancing and block of by-product formation significantly improved 3-HP and 1,3-PDO net titer. Subsequently, glycerol flux toward 3-HP and 1,3-PDO synthesis was maximized by removing metabolic repression and fine-tuning the glycerol oxidation pathway. Lastly, the combined fermentation process optimization and two-stage pH-controlled fed-batch fermentation co-produced 140.50 g/L 3-HP and 1,3-PDO, with 0.85 mol/mol net yield.

1,3-propanediol↗
DOE OSTI2026

pCAM precursor produced from electroextraction technology and its application in synthesis of NMC 811 cathode material

The synthesis and characterization of LiNi 0.8 Co 0.1 Mn 0.1 O 2 (LNMC811) cathodes produced from recycled hydroxide precursors obtained from spent lithium-ion batteries is evaluated. Two precursor batches (Sample 1 and Sample 2) are prepared using modified recycling processes to examine how residual impurities and processing conditions influence the properties of the regenerated materials. Structural and compositional characterization by X-ray diffraction, ICP and SEM shows that the recycled precursors exhibit layered hydroxide structures containing both α Ni(OH) 2 and β Ni(OH) 2 phases. Trace impurities including sodium, boron, and aluminum are detected and partially mitigated during processing, with boron found to play a beneficial role in electrochemical behavior. Following lithiation with lithium carbonate and lithium hydroxide at 800 °C under an oxygen rich atmosphere, the resulting LNMC811 materials show electrochemical performance comparable to conventionally synthesized cathodes. Sample 2, which contains higher boron levels and improved cation ordering, delivers an initial discharge capacity of 174 mAh g -1 and retains more than 93 percent of its capacity after 50 cycles. The stable cycling behavior and structural integrity of these materials demonstrate that recycled precursors can be converted into high performance layered cathodes and support recycling as a practical and sustainable route for lithium-ion battery manufacturing.

25 ENERGY STORAGE↗