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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 919 records · Page 51

On detrending stream velocity time series for robust tidal flow turbulence characterization

We investigated the impact of detrending techniques on turbulence quantities from tidal stream flow data, focusing on the autocorrelation function, $ρ_{uu}$, and velocity spectrum, $Φ(f)$. Standard detrending methods, including high-pass frequency-based and polynomial-based techniques, are examined, alongside a proposed alternative method, the empirical mode decomposition (EMD). Our results highlight that intervals of flow acceleration and deceleration, typical in tidal and riverine flows, significantly affect the estimation of turbulence quantities using high-pass frequency filtering and polynomial detrending of varying orders. These methods can strongly influence $ρ_{uu}$ and $Φ(f)$, thereby affecting the accurate estimation of derived quantities. We examine two variations of detrending data using EMD; the first removes only the EMD residue, and the second removes both the residue and the largest scale intrinsic mode function (IMF). By comparing the detrended spectra with the modeled von Kármán spectra, we demonstrate that the second variation (i.e., removing the residue and the largest scale IMF) successfully removed the large-scale trend of the data while retaining the energy of other scales.

Detrend↗

Characterizing in-stream turbulent flow for tidal energy converter siting in Cook Inlet, Alaska

Cook Inlet in Alaska is the most promising location for tidal energy development in the U.S. due to its significant tidal range of approximately 10 meters and high volume flux. The inlet's unique geometry and flow characteristics make it the most energetic tidal stream in the nation, with GW-scale potential energy capacity. With the growing interest in tidal energy converter (TEC) deployment in this area, we implemented a regional-scale, 3D hydrodynamic modeling framework to predict tidal current and turbulence characteristics that can assist TEC designers and project managers. We validated the model results extensively using various datasets collected with bottom-mounted acoustic Doppler current profilers and velocimeters. The comparison between the model outputs and observational data highlighted the effectiveness of the 3D FVCOM model and the Mellor-Yamada Level 2.5 Turbulence Model in accurately assessing macro-scale kinetic energy, turbulence intensity, and the production and dissipation rates at a prospective TEC site. Using two months of model simulation data, we examined the channel cross-section for TEC deployment, focusing on undisturbed power density and macro-scale turbulent properties. Further, our findings indicate that understanding the turbulence characteristics and flow properties can enhance Stage I/II resource characterization by identifying optimal locations for TECs and their layouts within the channel. Furthermore, we demonstrated that TEC designers can utilize macro-scale turbulence data from 3D coastal models as boundary conditions for other turbulence models, allowing for a more detailed resolution of the turbulence structure at TEC siting locations. Ultimately, this work emphasizes the importance of estimating flow and turbulence conditions in energetic systems to understand turbulent sites better and improve resource characterization.

16 TIDAL AND WAVE POWER↗

STREAM: A technology planning and capacity expansion model for the industrial sector

The Strategic Technology Roadmapping and Energy, Environmental, and Economic Analysis Model—STREAM—is an optimization-based modeling tool and analysis framework to assist with strategic planning and technology investments of the industrial sector. This open-source framework is written in Julia using the JuMP package, which enables users to model future “pathways” for incumbent and future production technologies, costs, fuels and energy carriers, and energy and non-energy environmental impacts from industries as they transform in pursuit of a robust and competitive manufacturing sector. The model starts with an initial stock of industrial production technologies and assets at a facility level and then determines pathways that minimize cost, subject to an array of possible constraints on demand, market shares, environmental flows, and other exogenously specified operational considerations such as capacity utilization rates or regional energy costs. Key features of the framework include flexibility to model a wide range of industries and industrial technologies/processes at varying levels of granularity, ability to perform parametric sensitivity analyses, and ability to visualize model results using visualization objects.

capacity expansion↗

Dominance of Particulate Mercury in Stream Transport and Rapid Watershed Recovery from Wildfires in Northern California, USA

Frequency and intensity of wildfires are expected to increase due to climate change, especially in areas with a long summer drought. Forests are a major sink for the global pollutant mercury (Hg), and fluvial transport of Hg from recently burned watersheds has not been widely investigated. Here, we examined two years of fluvial transport of Hg and its speciation (total Hg, methyl-Hg, particulate, and dissolved forms) under storm events and baseflow in two recently burned watersheds with different burned proportions and one nonburned reference watershed in the Coastal Ranges of northern California. We examined postfire storm-event transport of Hg and its methylated form (methyl-Hg), addressed the importance of the “initial runoff pulse” to postfire Hg fluvial transport and its predominant association with suspended solids, and elucidated potential sources of Hg exports from the burned landscapes using geochemical indicators, which suggested that ash materials were likely the significant sources of particulates in the first high-flow season postfire but not subsequently. The maximum total suspended solid and total Hg levels in the “first pulse” at the severely burned watershed were 442 and 46 times higher, respectively, than those at the reference watershed. Stream suspended solid and Hg levels declined substantially in the burned watersheds after just a few months of rainfall likely due to the rapid regrowth of vegetation commonly observed in postfire landscapes, implying that the wildfire effects on immediate Hg inputs from the burned landscape are at most transient in nature.

54 ENVIRONMENTAL SCIENCES↗

Energetics of Salt-Bearing Sodalites, Na 8 Al 6 Si 6 O 24 X 2 (X = SO 4 , ReO 4 , Cl, I): A Treatment Option for Pertechnetate-Enriched Nuclear Waste Streams

An alternative option for treating anion-enriched reprocessed nuclear waste streams is to immobilize technetium-99 ( 99 Tc, β = 293.7 keV, t 1/2 = 2.1 × 10 5 years) and other anions in micro- and mesoporous materials. Here we determine the thermodynamic stability of anion bearing sodalites, Na 8 Al 6 Si 6 O 24 X 2 (X = SO 4 , ReO 4 , Cl, I), to improve our understanding of the driving forces that control framework assembly using high temperature oxide melt solution calorimetry. Raman and FTIR spectroscopy illustrate a strong dependence for vibrational features on anion size and enabled the development of a linear model that predicted the vibrational features for numerous anion bearing sodalites to within ±20 cm –1 (i.e., OH, F, Br, ClO 4 , NO 3 , and MnO 4 ). The largest negative enthalpy of formation from elements and the lack of structural water demonstrate that the perrhenate sodalite (Na 8 Al 6 Si 6 O 24 [ReO 4 ] 2 ), a chemical analogue for pertechnetate sodalite (Na 8 Al 6 Si 6 O 24 [TcO 4 ] 2 ), is more thermodynamically stable than all other anion bearing sodalites evaluated. The enthalpies of the reaction between nepheline and the sodium salt, which provides the guest anion species, was negative only for the ReO 4 and NO 3 bearing sodalites. Overall, we report for the first time the enthalpy of the ion exchange reactions for different anion bearing sodalites relative to the perrhenate sodalite, which is a key step in gaining the ability to tune sodalite material properties and structure during treatment and the immobilization of 99 Tc in the presence of competing anions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Leveraging Multiple Raman Excitation Wavelength Systems for Process Monitoring of Nuclear Waste Streams

Processing nuclear waste from sites such as Hanford is a significant environmental cleanup need while being a significant logistical challenge. Integration of process monitoring tools, that can provide in situ and real-time feedback about the process, can significantly alleviate needs to collect grab samples for process control and product characterization. Raman spectroscopy paired with chemometric analysis is one process monitoring tool that can provide chemical composition information on a large number of chemical targets in nuclear waste streams. However, methods to improve limits of detection as well as drop uncertainty in quantification are needed. Optimizing instrument specifications can achieve this, here this is demonstrated by comparing limits of detection for key analytes when using Raman systems with 671 nm, 532 nm, and 405 nm excitation wavelengths. Generally, limits of detection decease (allowing the measurement of lower salt concentrations) with decreasing wavelength. Similarly, data collection times and averaging were optimized. Finally, multiple chemometric modeling approaches were leveraged, including multiblock methods that combined data from all three Raman systems to simultaneously quantify targets with improved sensitivity.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Release Timing and Duration Control the Fate of Photolytic Compounds in Stream-Hyporheic Systems

Predicting environmental fate requires an understanding of the underlying, spatiotemporally variable interaction of transport and transformation processes. Photolytic compounds, for example, interact with both time-variable photolysis and the perennially dark hyporheic zone, generating potentially unexpected dynamics that arise from time-variable reactivity. This interaction has been found to significantly impact environmental fate but is commonly oversimplified in predictive models. Our primary objective was to explore how time-variable photolysis and hyporheic storage interact across a range of photolysis rates to control the fate and transport of photolytic solutes in stream-hyporheic systems. In this study, we released a photolytic compound in a natural system at different times of day and simulated variable release timing and durations of photolytic compounds spanning half-lives ranging from about 2 min to 900 hr. To contextualize these results, we simulated five photolytic compounds with varied half-lives to systematically study the interaction between release timing, duration, and reactivity. We found that the environmental fate and transport of photolytic compounds are highly variable as a function of release timing, which controls when, where, and for how long solute is stored in the hyporheic zone or exposed to in-channel photolysis. Finally, this knowledge can be used to improve predictions for photolytic compounds or assess potential impacts for an anticipated discharge or treatment.

54 ENVIRONMENTAL SCIENCES↗

Linking Stream Chemistry to Subsurface Redox Architecture

As drinking-water scarcity grows worldwide, we need to improve predictions of the quantity and quality of our water resources. An overarching problem for model improvement is that we do not know the geological structure of aquifers in sufficient detail. In this work, we demonstrate that mineral-water reactions imprint structure in the subsurface that impacts the flow and transport of some chemical species. Specifically, pyrite, a ubiquitous mineral, commonly oxidizes and depletes in the upper layers of the weathering profile in most humid watersheds, only remaining at depths of meters. We hypothesize that variations in concentrations (C) of pyrite-derived sulfate released into rivers as a function of discharge (q) reflect the rate-limiting step and depth of pyrite-oxidizing layers. We found that log C - log q behaviors thus differ in small and large watersheds in the Susquehanna River Basin as well as in selected watersheds in the Western United States. Although coal mining changes pyrite oxidation from closed to open system with respect to O 2 , patterns in stream chemistry as a function of discharge are consistent with deep and shallow pyrite oxidation zones in small and large watersheds respectively. Therefore, understanding the subsurface patterns of mineral reactions and how they affect the architecture of aquifers will elucidate patterns of changing river chemistry and our ability to manage water resources in the future under accelerated land use and climate change.

54 ENVIRONMENTAL SCIENCES↗

Hyporheic‐Zone Processes and Stream Oxygen Dynamics: Insights From a Multiscale Reactive Transport Model

Aquatic ecosystem metabolism encapsulates the daily fixation (gross primary production, GPP d ) and mineralization (ecosystem respiration, ER d ) of organic carbon. In fluvial systems, these are commonly estimated by inverse solutions to field observations using a model that describes oxygen concentrations varying in the water column in response to metabolic fluxes and air‐water gas exchange controlled by a rate coefficient (K 600 ). The most common conceptual model is the single‐station metabolism (SSM) model. The simplicity and flexibility of this conceptualization make it attractive; however, it implicitly assumes that all the processes that consume oxygen in fluvial systems can be lumped into a bulk estimate of respiration with poorly understood consequences for estimates of GPP d , ER d , and K 600 . Here, we focus on the implications of using SSM conceptualization when estimating metabolic fluxes from oxygen dynamics in channels where hyporheic exchange occurs. We use a new multiscale numerical model for reactive transport in streams that represents hyporheic exchange and streambed heterotrophic respiration. Nondimensionalization of this model reveals dimensionless groups that collectively control oxygen dynamics. Numerical experiments offer a mechanistic understanding of the impacts of hyporheic exchange on diel oxygen dynamics revealing that potential biases arise from neglecting mass transfer limitations. Specifically, we found that hyporheic exchange significantly affects diel oxygen dynamics, even for nonreactive streambed sediments. Moreover, while the SSM performs well in many situations, we find conditions where significant bias is produced by hyporheic exchange, even when oxygen data are well‐fitted. These situations pose a major challenge in the interpretation of metabolism assessment estimates.

Gomez‐Velez, Jesus D. [Oak Ridge National Laborato↗

Deep learning at the edge enables real-time streaming ptychographic imaging

Abstract Coherent imaging techniques provide an unparalleled multi-scale view of materials across scientific and technological fields, from structural materials to quantum devices, from integrated circuits to biological cells. Driven by the construction of brighter sources and high-rate detectors, coherent imaging methods like ptychography are poised to revolutionize nanoscale materials characterization. However, these advancements are accompanied by significant increase in data and compute needs, which precludes real-time imaging, feedback and decision-making capabilities with conventional approaches. Here, we demonstrate a workflow that leverages artificial intelligence at the edge and high-performance computing to enable real-time inversion on X-ray ptychography data streamed directly from a detector at up to 2 kHz. The proposed AI-enabled workflow eliminates the oversampling constraints, allowing low-dose imaging using orders of magnitude less data than required by traditional methods.

36 MATERIALS SCIENCE↗

Simultaneous attenuation of trace organics and change in organic matter composition in the hyporheic zone of urban streams

Trace organic compounds (TrOCs) enter rivers with discharge of treated wastewater. These effluents can contain high loads of dissolved organic matter (DOM). In a 48 h field study, we investigated changes in molecular composition of seven DOM compound classes (FTICR-MS) and attenuation of 17 polar TrOCs in a small urban stream receiving treated wastewater. Correlations between TrOCs and DOM were used to identify simultaneous changes in surface water and the hyporheic zone. Changes in TrOC concentrations in surface water ranged between a decrease of 29.2% for methylbenzotriazole and an increase of 152.2% for the transformation product gabapentin-lactam. In the hyporheic zone, only decreasing TrOC concentrations were observed, ranging from 4.9% for primidone to 93.8% for venlafaxine . TrOC attenuation coincided with a decline of molecular diversity of easily biodegradable DOM compound classes while molecular diversity of poorly biodegradable DOM compound classes increased. This concurrence indicates similar or linked attenuation pathways for biodegradable DOM and TrOCs. Strong correlations between TrOCs and DOM compound classes as well as high attenuation of TrOCs primarily occurred in the hyporheic zone. This suggests high potential for DOM turnover and TrOC mitigation in rivers if hyporheic exchange is sufficient.

54 ENVIRONMENTAL SCIENCES↗

Flexible polyurethanes, renewable fuels, and flavorings from a microalgae oil waste stream

Renewable polymers have become an important focus in next-generation materials, and algae biomass offers an environmentally low-impact feedstock that can serve multiple uses. This study aims to develop a scalable methodology for production of microalgae-based polyols for polyurethane synthesis from waste oils derived from algae biomass. Following separation of omega-3 fatty acids from algae oil, residual oils can offer valuable building blocks for petrochemical replacements. However, unlike vegetable oils, algae oils contain organic contaminants, including photosynthetic pigments and hydrophobic cofactors that can complicate preparative methodologies. Here we convert and purify waste streams from omega-3 depleted Nannochloropsis salina algae oil, with major components consisting of palmitic and palmitoleic acid, into azelaic acid (AA) as a building block for flexible polyurethanes, with a simultaneous production of heptanoic acid (HA) as a flavor and fragrance precursor. Conversion of free fatty acid mixtures into a soft soap allows extraction of organic contaminants, and urea complexation provides isolated palmitoleic acid, which is subsequently ozonolyzed to produce AA and HA. Bio-based polyester diols are prepared from AA via esterification to provide a polyol monomer for flexible polyurethane foam preparation. The HA co-product is modified to produce the flavoring agent methyl heptanoate and also decarboxylated to produce hexane as a renewable solvent. This scalable process can be performed on oils from multiple algal species, offering valuable monomers from a highly sustainable source.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-efficiency catalytic reduction of residual oxygen for purification of carbon dioxide streams from high-pressure oxy-combustion systems

Pressurized oxy-combustion is a promising technology for carbon capture, utilization, and storage. For the captured CO 2 to be used for enhanced oil recovery or stored in geological formations, flue gas impurities, including residual O 2 in the CO 2 stream, must be purified to meet the purity specifications. A catalytic approach to reducing residual O 2 with CH 4 was investigated in this study. Five CoMn- and Cu-based catalysts were synthesized or acquired, and a reverse-flow fixed-bed reactor was used to assess their performance for O 2 removal from a simulated oxy-combustion flue gas at 15 bar. The impacts of the operating parameters on O 2 removal, such as temperature, gas hourly space velocity, O 2 /CH 4 ratio, and gas pressure, were investigated. Among the tested catalysts, the two CoMn catalysts were superior in both activity and selectivity, with the reaction lighting off at about 350 °C and achieving 99% O 2 removal at about 500 °C. Finally, the kinetics of the catalytic reaction is discussed, and the Mars–van Krevelen redox mechanism is deemed valid for describing the reaction pathway for the top-performing CoMn catalysts. The catalytic reaction was determined to be first order in CH 4 and zero order in O 2 under the test conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Nonlinear kinetic simulation study of the ion–ion streaming instability in single- and multi-ion species plasmas

The nonlinear evolution of the ion–ion streaming instability (IISI) is studied using numerical techniques novel to this problem that afford direct insight into the evolution of the particle distributions of each species. Here, during the linear phase of the instability, we demonstrate quantitative agreement with linear kinetic theory. Subsequently, the electrostatic field generated by the IISI causes ring-like velocity distributions of ions to form that are both heated and slowed to varying degrees relative to their initial flows. Due to variation in the trapping conditions for ion species of differing charge-to-mass ratio, when flows of multiple species interact, the nonlinear evolution of each species can be starkly different: we show a case where a lighter ion species is completely stopped by a heavier ion species via the IISI alone (i.e., without collisions) and, for the first time, demonstrate how the IISI can introduce a relative flow between ion species that initially have the same flow velocities, thereby separating them.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A co-axial electron gun to generate millimeter-wave RF using the two-stream instability

A novel source for broadband millimeter-wave RF is being designed at Los Alamos National Laboratory utilizing the two-stream instability. This RF source offers the potential for consistent output power over a large bandwidth on a single device. The source is designed to use two co-axial electron beams coupled into solenoidal magnetic fields. This is accomplished using two cathodes independently modulated nested in each other. The electron beam energy from the innermost cathode will fall in the range between 15 and 20 keV with the beam energy from the outer cathode being 75%–95% of the inner beam energy. In order to efficiently match the beam from the outer cathode into the solenoidal magnetic field, shields are used around the cathodes to shape the electric field in the gun region to extend the electrostatic focal length of the beams for better coupling into the magnetic field. As a result, we present the design of electron guns and expected performance using Trak simulations.

47 OTHER INSTRUMENTATION↗

Hybrid particle-in-cell simulations of electromagnetic coupling and waves from streaming burst debris

Various systems can be modeled as a point-like explosion of ionized debris into a magnetized, collisionless background plasma-including astrophysical examples, active experiments in space, and laser-driven laboratory experiments. Debris streaming from the explosion parallel to the magnetic field may drive multiple resonant and non-resonant ion-ion beam instabilities, some of which can efficiently couple the debris energy to the background and may even support the formation of shocks. We present a large-scale hybrid (kinetic ions + fluid electrons) particle-in-cell simulation, extending hundreds of ion inertial lengths from a 3D explosion, that resolves these instabilities. We show that the character of these instabilities differs notably from the 1D equivalent by the presence of unique transverse structure. Additional 2D simulations explore how the debris beam length, width, density, and speed affect debris-background coupling, with implications for the generation of quasi-parallel shocks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Three-dimensional coupling of electron cyclotron drift instability and ion–ion two stream instability

Electron cyclotron drift instability (ECDI) and ion–ion two stream instability (IITSI) are both kinetic instabilities that can be present in low-temperature, partially magnetized plasmas. The coupling of instabilities in a three-dimensional configuration leads to the existence of more than one unstable roots to the kinetic dispersion relation. In this paper, a generalized method has been developed for numerically evaluating solutions to the three-dimensional dispersion relation for coupled ECDI and IITSI, assuming cold singly and doubly charged ions and a Maxwellian velocity distribution function for the electrons. The present study demonstrates the coupling between ECDI and IITSI that affects the most unstable mode as a function of the wavenumbers in three dimensions and various plasma properties, including the applied electric field, magnetic field, electron temperature, ion velocities, and plasma density. One of the most notable results is that, while the most unstable mode with the largest growth rate is in the direction of the E×B drift in the two-dimensional cases, the most unstable mode for the three-dimensional configuration occurs in the oblique direction between the applied electric field and the E×B drift. Here, this agrees with experimental observations in cross field plasma sources using coherent Thomson scattering.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗