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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 541 records · Page 30

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DOE OSTI2023

Automated Laboratory Kilogram-Scale Graphene Production from Coal

The flash Joule heating (FJH) method converts many carbon feedstocks into graphene in milliseconds to seconds using an electrical pulse. This opens an opportunity for processing low or negative value resources, such as coal and plastic waste, into high value graphene. Here, in this work, a lab-scale automation FJH system that allows the synthesis of 1.1 kg of turbostratic flash graphene from coal-based metallurgical coke (MC) in 1.5 h is demonstrated. The process is based on the automated conversion of 5.7 g of MC per batch using an electrical pulse width modulation system to conduct the bottom-up upcycle of MC into flash graphene. This study then compare this method to two other scalable graphene synthesis techniques by both a life cycle assessment and a technoeconomic assessment.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2021

Diffusional and Partitionless Ferrite‐to‐Austenite Phase Transformations during Intercritical Annealing of Medium‐Mn Steels

Experimental research on intercritical annealing of a cold‐rolled Fe–7Mn steel with ultralow carbon concentration is presented, providing insight into the efficacy of generating Mn‐enriched austenite during relatively short (≈1000 s) heat treatments compared with batch annealing, as well as the phase transformation mechanisms that can occur during intercritical annealing. It is shown through both bulk characterization and electron microscopy in conjunction with energy‐dispersive X‐ray spectroscopy that Mn partitioning to austenite occurs via diffusional, partitioning growth of austenite during these shorter treatments and that the intercritical temperature influences the level of Mn enrichment in austenite. Evidence of massive (partitionless) and diffusional (partitioning) transformations of ferrite to austenite occurring simultaneously in a single sample are also shown along with a thermodynamic rationale for this occurrence, which is suggested to be related to residual Mn‐banding that develops during solidification.

Mueller, Josh J.↗

DOE OSTI2021

Importance of Depth and Artificial Structure as Predictors of Female Red Snapper Reproductive Parameters

Abstract The Red Snapper Lutjanus campechanus is a structure‐associated species occurring across a wide depth range in the northern Gulf of Mexico. We used the random forest machine learning algorithm to understand which habitat and individual fish characteristics could predict reproductive parameters of female Red Snapper. We evaluated fish captured from 2016 to 2018 on three artificial structure types with various structure heights at depths of 100 m or less. Overall, we found that depth and month were important predictors for most reproductive parameters, but the type of structure (artificial reefs, oil platforms, and rigs‐to‐reefs structures) was not important. Maturity was correctly classified in 88.9% of the cases when using the random forest ensemble model, with important predictors including FL, depth, structure height, and month of collection. Spawning seasonality (measured as gonadosomatic index [GSI]) was correctly classified in 59.5% of the cases when using histology reproductive phase, FL, month, and depth variables. Reproductively active or inactive females were correctly classified in 89.3% of the cases using GSI, month, FL, and depth, while females in the developing versus spawning capable phases were correctly classified in 82.2% of the cases using GSI, FL, month, and depth. Histological indicators that show potential spawning within a 36‐h period were correctly classified 61.5% of the time, with the best predictors being depth, FL, GSI, and month. Stepwise regression indicated that month was the only factor that significantly predicted contrasts in relative batch fecundity, with significantly greater values in August compared to all other months. Our findings suggest that female Red Snapper reproductive effort is not consistently or well predicted by artificial structure type or height but that a combination of fish FL, month, and depth can predict reproductive characteristics of female Red Snapper.

Brown‐Peterson, Nancy J.↗

DOE OSTI2025

Hythane production from brewery wastewater‐generated biogas using a membrane electrochemical cell

Converting organic wastes into hythane, a blend of hydrogen (5% to 25%) and methane (75% to 95%), will not only reduce waste discharge but also maximize energy recovery. Herein, a membrane electrochemical cell was investigated to produce hythane from biogas generated in anaerobic digestion of brewery wastewater (BW). The key parameters including current densities, electrolyte concentrations, and biogas flow rates were examined in batch tests. Under an optimal condition (210 mA, 100 mM electrolyte, 1 mL min −1 of biogas flow), the system achieved the production of hythane containing 70.6% ± 1.1% CH 4 , 27.3% ± 0.5% H 2 , and 2.1% ± 1.6% CO 2 (corresponding to 91.1% ± 6.4% CO 2 removal). Meanwhile, the H 2 S concentration was decreased from 513 to 2 ppm, 99.9% ± 0.2% removal. Energy efficiency of this system was estimated 61.8% ± 10.7%, and energy output increased by 54.4% ± 10.6% with biogas upgrading to hythane. Furthermore, these results encourage further exploration of electrochemical approach for simultaneous biogas upgrading and hythane production.

Rao, Yue [Washington University in St. Louis, MO (↗

DOE OSTI2025

Simultaneously Improving Process Efficiency and Mechanical Properties in Aluminum Alloys with Applied Magnetic Fields

In the aluminum heat treatment sector, large resistive batch furnaces are used for many heat treatment processes and are generally always running, operating at approximately 20–30% efficiency. The primary avenue for energy savings lies in shortening heat treatment times, which can be 24+ hours for solutionizing (450–625 °C) and aging treatments (150–250 ℃), depending on the alloy and specification requirements. The application of high magnetic fields (<9 T) has shown to significantly reduce aluminum alloy heat treatment times, while achieving enhanced mechanical properties. Here, we explore the effects of thermomagnetic processing on the heat treatment response of a commercial aluminum alloy A390.1. Heat treatment times were reduced by >80%, while achieving ~10% improvement in microhardness, and these improvements persisted after longer thermal exposures simulating use. The microstructural evolution and resulting properties will be discussed.

Kesler, Michael [ORNL] (ORCID:0000000161423128)↗

DOE OSTI2025

Enabling Seamless Transitions from Experimental to Production HPC for Interactive Workflows

The evolving landscape of scientific computing requires seamless transitions from experimental to production HPC environments for interactive workflows. This paper presents a structured transition pathway developed at OLCF that bridges the gap between development testbeds and production systems. We address both technological and policy challenges, introducing frameworks for data streaming architectures, secure service interfaces, and adaptive resource scheduling for time-sensitive workloads and improved HPC interactivity. Our approach transforms traditional batch-oriented HPC into a more dynamic ecosystem capable of supporting modern scientific workflows that require near real-time data analysis, experimental steering, and cross-facility integration.

Etz, Brian [ORNL] (ORCID:0000000208554863)↗

DOE OSTI2022

Implications of Underground Nuclear Explosion Cavity Evolution for Radioxenon Isotopic Composition

Abstract Isotopic ratios of radioxenons sampled in the atmosphere or subsurface can be used to verify the occurrence of an underground nuclear explosion (UNE). Differences in the half-lives of radioactive xenon precursors and their decay-chain networks produce different time-dependent concentration profiles of xenon isotopes allowing isotopic ratios to be used for tracking UNE histories including estimating the time of detonation. In this study, we explore the potential effects of post-detonation cavity processes: precipitation of iodine precursors, gas seepage, and prompt venting on radioxenon isotopic evolution which influences UNE histories. Simplified analytical models and closed-form solutions yielding a potentially idealized radioactive decay/ingrowth chain in a closed and well-mixed system typically have limited application by not including the partitioning of the radionuclide inventory between a gas phase and rock melt created by the detonation and by ignoring gas transport from the cavity to host rock or ground surface. In reality, either subsurface transport or prompt release that is principally responsible for gas signatures violates the closed-system (or batch-mode) assumption. A closed-form solution representing time-dependent source-term activities is extended by considering the cavity partitioning process, slow seepage, and/or prompt release of gases from the cavity and applied to realistic systems.

Sun, Yunwei (ORCID:0000000194801439)↗

DOE OSTI2022

Coupling of nitric acid digestion and anion-exchange resin separation for the determination of methylmercury isotopic composition within organisms

Isotope ratios of methylmercury (MeHg) within organisms can be used to identify sources of MeHg that have accumulated in food webs, but these isotopic compositions are masked in organisms at lower trophic levels by the presence of inorganic mercury (iHg). To facilitate measurement of MeHg isotope ratios in organisms, we developed a method of extracting and isolating MeHg from fsh and aquatic invertebrates for compound-specifc isotopic analysis involving nitric acid digestion, batch anion-exchange resin separation, and pre-concentration by purge and trap. Recovery of MeHg was quantifed after each step in the procedure, and the average cumulative recovery of MeHg was 93.4±2.9% (1 SD, n=28) for biological reference materials and natural biota samples and 96.9±1.8% (1 SD, n=5) for aqueous MeHgCl standards. The amount of iHg impurities was also quantifed after each step, and the average MeHg purity was 97.8±4.3% (1 SD, n=28) across all reference materials and natural biota samples after the fnal separation step. Measured MeHg isotopic compositions of reference materials agreed with literature values obtained using other MeHg separation techniques, and MeHg isotope ratios of aqueous standards, reference materials, and natural biota samples were reproducible. On average, the reproducibility associated with reference material process replicates (2 SD) was 0.10‰ for δ 202 MeHg and 0.04‰ for Δ 199 MeHg. This new method provides a streamlined, reliable technique that utilizes a single sample aliquot for MeHg concentration and isotopic analysis. Furthermore, this promotes a tight coupling between MeHg concentration, %MeHg, and Hg isotopic composition, which may be especially benefcial for studying complex food webs with multiple isotopically distinct sources of iHg and/or MeHg.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Stochastic projective splitting

Here, we present a new, stochastic variant of the projective splitting (PS) family of algorithms for inclusion problems involving the sum of any finite number of maximal monotone operators. This new variant uses a stochastic oracle to evaluate one of the operators, which is assumed to be Lipschitz continuous, and (deterministic) resolvents to process the remaining operators. Our proposal is the first version of PS with such stochastic capabilities. We envision the primary application being machine learning (ML) problems, with the method’s stochastic features facilitating “mini-batch” sampling of datasets. Since it uses a monotone operator formulation, the method can handle not only Lipschitz-smooth loss minimization, but also min–max and noncooperative game formulations, with better convergence properties than the gradient descent-ascent methods commonly applied in such settings. The proposed method can handle any number of constraints and nonsmooth regularizers via projection and proximal operators. We prove almost-sure convergence of the iterates to a solution and a convergence rate result for the expected residual, and close with numerical experiments on a distributionally robust sparse logistic regression problem.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Submodular optimization problems and greedy strategies: A survey

The greedy strategy is an approximation algorithm to solve optimization problems arising in decision making with multiple actions. How effective is the greedy strategy compared to the optimal solution? In this survey, we mainly consider two classes of optimization problems where the objective function is submodular. The first is set submodular optimization, which is to choose a set of actions to optimize a set submodular objective function, and the second is string submodular optimization, which is to choose an ordered set of actions to optimize a string submodular function. Our emphasis here is on performance bounds for the greedy strategy in submodular optimization problems. Specifically, we review performance bounds for the greedy strategy, more general and improved bounds in terms of curvature, performance bounds for the batched greedy strategy, and performance bounds for Nash equilibria.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Effects of Copolymer Structure on Enzyme-Catalyzed Polyester Recycling

Polyesters are an omnipresent material used for a variety of applications (e.g., bottles, packaging, textile, windshield), roughly comprising 8% of plastics produced worldwide. Enzymatic recycling is an emerging solution to deal with the increasingly diverse polyesters that are not suitable for mechanical recycling. However, enzyme activity and efficiency are still the limiting factors impeding enzymatic recycling for different plastic waste forms. The effects of thermal and structural properties (e.g., glass transition temperature, crystallinity, specific surface area), which are determined by chemical composition and preprocessing, directly influence enzyme recycling efficiency. This work investigates two extrusion methods (single screw and twin-screw extrusion) to pretreat a range of copolyesters (RPET, PETG, Ecozen, Tritan and PBT) and modify their properties (i.e., glass transition temperature (T g ), crystallinity (%), and molecular weight (M n )). A PET-specific enzyme, leaf-branch compost cutinase (LCC ICCG ), produced from a fed-batch fermentation of Escherichia coli BL21(DE3), was used for the enzymatic depolymerization of different polyesters. Several copolyesters showed improved depolymerization after pretreatment, as measured by rate and amount of monomers produced. Furthermore, those that did not depolymerize were found to have exceptionally high glass transition temperature or percent crystallinity, highlighting the importance of these physical parameters on conversion efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Transactinide studies with sulfur macrocyclic extractant using mercury

Mercury extraction has been studied in nitric and hydrochloric acids with hexathia-18-crown-6 dissolved in carbon tetrachloride. Batch study experiments have been performed to determine the best conditions for maximum extraction. In both acids, Hg(II) was best extracted at low molarity while almost no extraction was observed above 2 M. Furthermore, speciation studies were carried out in an attempt to describe the extraction mechanism, but the exact composition of the extracted species was not determined. The extraction kinetics were studied to assess the feasibility of this crown ether for extracting Cn and/or Fl in a future online experiment.

197mHg↗

DOE OSTI2020

Measurement of distribution coefficients on TODGA resin and development of a group separation for mixed activation and fission product samples

Batch equilibrium experiments were performed to determine the distribution coefficients for Sc, Ir, and Ta on N,N,N’,N’tetraoctyl-1,5-diglycolamide (TODGA) resin in various acid matrices. Distribution coefficients were determined in hydrochloric acid (Sc, Ir), nitric acid (Sc, Ta), and a mixture of nitric acid and 0.2M hydrofluoric acid (Sc, Ir, Ta). The distribution coefficients determined through these experiments were then utilized to create a group separation method for activation products, fission products, and environmental constituents.

Louie, Christina A.↗

DOE OSTI2021

Large-scale dissolution of sintered Mo disks

Non-uranium production of 99 Mo via neutron capture or by photonuclear reaction using an electron accelerator is receiving considerable attention. For commercial production of 99 Mo, post-irradiation processes must incorporate a robust design for easy scale-up. Once developed, large-scale chemical processes must be optimized for hot-cell operations and potential automation. In this work, we present experimental results on the large-scale dissolution of sintered Mo disks using three 50% hydrogen peroxides from different suppliers. Dissolution rates obtained for 600-g Mo batches and potential reasons for different dissolution behaviors is discussed.