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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 271 records · Page 15

A higher-order finite-element implementation of the nonlinear Fokker–Planck collision operator for charged particle collisions in a low density plasma

Collisions between particles in a low density plasma are described by the Fokker–Planck collision operator. In applications, this nonlinear integro-differential operator is often approximated by linearised or ad-hoc model operators due to computational cost and complexity. In this work, we present an implementation of the nonlinear Fokker–Planck collision operator written in terms of Rosenbluth potentials in the Rosenbluth–MacDonald–Judd (RMJ) form. The Rosenbluth potentials may be obtained either by direct integration or by solving partial differential equations (PDEs) similar to Poisson's equation: we optimise for performance and scalability by using sparse matrices to solve the relevant PDEs. We represent the distribution function using a tensor-product continuous-Galerkin finite-element representation and we derive and describe the implementation of the weak form of the collision operator. We present tests demonstrating a successful implementation using an explicit time integrator and we comment on the speed and accuracy of the operator. Finally, we speculate on the potential for applications in the current and next generation of kinetic plasma models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Publishing unbinned differential cross section results

Machine learning tools have empowered a qualitatively new way to perform differential cross section measurements whereby the data are unbinned, possibly in many dimensions. Unbinned measurements can enable, improve, or at least simplify comparisons between experiments and with theoretical predictions. Furthermore, many-dimensional measurements can be used to define observables after the measurement instead of before. There is currently no community standard for publishing unbinned data. While there are also essentially no measurements of this type public, unbinned measurements are expected in the near future given recent methodological advances. The purpose of this paper is to propose a scheme for presenting and using unbinned results, which can hopefully form the basis for a community standard to allow for integration into analysis workflows. This is foreseen to be the start of an evolving community dialogue, in order to accommodate future developments in this field that is rapidly evolving.

47 OTHER INSTRUMENTATION↗

Enhanced Large-Signal Stability Method for Grid-Forming Inverters During Current Limiting: Preprint

Grid-forming (GFM) inverters are a promising technology for the widespread integration of renewable energy sources in future power systems. As a key element of GFM inverter control, the primary controller governs the internal reference voltage and angle. During contingencies in the grid---such as faults, voltage drops, or frequency and phase jumps---an inverter can be forced into a current-limiting mode of operation modulating inverter dynamics, and, as a result, it is prone to losing synchronism with the grid. In this paper, we propose a novel GFM primary control method with an additional synchronization term that naturally activates during contingencies to improve the dynamic response. The method allows the inverter to remain synchronized with the grid, which improves the inverter's dynamic behavior both during and after current-limiting grid conditions and enhances grid support, including voltage support using full current capacity. The method is demonstrated for voltage, frequency, and phase jumps both in a single-machine-to-infinite-bus and a network-wide electromagnetic transient simulation of the IEEE 14-bus system with 5 GFM inverters. The simulations provide insights into the proposed synchronization method and confirm the high potential of the method, which robustly secures synchronism under severe contingencies.

current limiting↗

Progress Towards a Comprehensive Approach for Habitat Restoration in the Columbia Basin: Case Study in the Grande Ronde River

Abstract Despite immense resources directed towards habitat restoration, recovering fish populations remains a daunting and perplexing issue. In 2015, recommendations for a comprehensive approach to habitat restoration in the Columbia River basin were published in Fisheries, which included elements of landscape ecology and resilience, broad public support, governance for collaboration and integration, and capacity for learning and adaptation. Using the Grande Ronde River basin as a case study, we convened a working group consisting of local restoration practitioners, managers, and researchers involved in habitat restoration research, monitoring, and evaluation to assess progress towards meeting these recommendations. We concluded that partnerships and collaborations in governance have been formed and research using a landscape perspective has been integrated into decision making, but efforts would benefit from gaining broader public support, formalizing an adaptive management strategy, and defining objectives and indicators for biological and ecological diversity. Continued progress will require consistent policy and funding support from the broader region. We envision this self-assessment at the 5-year milestone would be helpful to other groups facing similar challenges.

White, Seth M. (ORCID:0000000349186865)↗

Universal Polarization Transformations: Spatial Programming of Polarization Scattering Matrices Using a Deep Learning‐Designed Diffractive Polarization Transformer

Abstract Controlled synthesis of optical fields having nonuniform polarization distributions presents a challenging task. Here, a universal polarization transformer is demonstrated that can synthesize a large set of arbitrarily‐selected, complex‐valued polarization scattering matrices between the polarization states at different positions within its input and output field‐of‐views (FOVs). This framework comprises 2D arrays of linear polarizers positioned between isotropic diffractive layers, each containing tens of thousands of diffractive features with optimizable transmission coefficients. After its deep learning‐based training, this diffractive polarization transformer can successfully implement N i N o = 10 000 different spatially‐encoded polarization scattering matrices with negligible error, where N i and N o represent the number of pixels in the input and output FOVs, respectively. This universal polarization transformation framework is experimentally validated in the terahertz spectrum by fabricating wire‐grid polarizers and integrating them with 3D‐printed diffractive layers to form a physical polarization transformer. Through this set‐up, an all‐optical polarization permutation operation of spatially‐varying polarization fields is demonstrated, and distinct spatially‐encoded polarization scattering matrices are simultaneously implemented between the input and output FOVs of a compact diffractive processor. This framework opens up new avenues for developing novel devices for universal polarization control and may find applications in, e.g., remote sensing, medical imaging, security, material inspection, and machine vision.

Optical neural networks↗

A convergent genus expansion for the plateau

We conjecture a formula for the spectral form factor of a double-scaled matrix integral in the limit of large time, large density of states, and fixed temperature. The formula has a genus expansion with a nonzero radius of convergence. To understand the origin of this series, we compare to the semiclassical theory of “encounters” in periodic orbits. In Jackiw-Teitelboim (JT) gravity, encounters correspond to portions of the moduli space integral that mutually cancel (in the orientable case) but individually grow at low energies. At genus one we show how the full moduli space integral resolves the low energy region and gives a finite nonzero answer.

2D Gravity↗

Designing a Block Copolymer Membrane for Selective Transport of Lactic Acid from Aqueous Mixtures

We report the design and synthesis of a triblock copolymer-based membrane for enabling selective transport of lactic acid from aqueous solutions. This is relevant to the production of polylactic acid, one of the few biodegradable and biobased polymers with sufficient mechanical strength for practical applications. The end blocks are positively charged with negatively charged lactate counterions. The middle block is polybutadiene (PBD). Due to microphase separation, the charged blocks form channels for transporting lactic acid. The mechanical integrity of the membrane is controlled by cross-linking the PBD block. Transport of lactic acid and water across the membrane was studied by placing the membrane between two chambers, a feed chamber containing aqueous lactic acid solutions, and a receiving chamber containing pure water. The lactic acid concentration in the receiving chamber was monitored as a function of time using conductivity, HPLC, and NMR. The corresponding flux of water from the receiving chamber to the feed chamber was measured using an NMR-based approach. The lactic acid and water permeabilities through our membrane were (1.12 ± 0.05) × 10–8 and (8.58 ± 0.75) × 10–9 cm2 s–1. To our knowledge, there are no reports of lactic acid permeabilities through any membrane in the literature. The separation factor of our membrane, αLA/water, 1.305 ± 0.123, is comparable to that of membranes used for selective transport of ethanol, despite the fact that lactic acid is a much larger molecule than ethanol. Selective transport of lactic acid in our membrane is governed mainly by differences in solubility; lactic acid is 18 times more soluble in the membrane than water.

Jana, Rounak↗

Localized phase contrast imaging at the Wendelstein 7-X stellarator

In its basic form, phase contrast imaging (PCI) provides line-integrated measurements of electron density fluctuations in plasmas. As turbulent fluctuations in magnetically confined plasmas have wave vectors almost perpendicular to the background magnetic field, the signals scattered by fluctuations from different parts of the PCI line-of-sight (LoS) are spatially separated in focal planes of the plasma. This allows localized PCI measurements by placing a mask in such a plane, to only permit signals from specific parts of the LoS to reach the PCI detectors. The present paper describes modeling and design of localization masks for the PCI system at the Wendelstein 7-X (W7-X) stellarator as well as the first results obtained using the masks in the recent long-pulse W7-X experimental campaign. During this project, we have extended the theory describing the mask response within the Fraunhofer diffraction model. As a novel development, we show from first principles that the mask response is determined by the fraction of power of the scattered beam spots that passes the mask. These insights have been used to select the W7-X mask design, consisting of a circular cutout, allowing the unscattered beam spot to pass the mask, with wedges covering a fixed angular range outside the central cutout. In the recent W7-X experimental campaign, the masks have verified the location of the main turbulence features observed by the PCI system and provided new information about the location of short-wavelength magnetohydrodynamic modes.

Physics↗

Tuning of electronic properties in highly lattice-mismatched epitaxial SmN

Here, we establish the relationship between native N vacancies, introduced through varying growth parameters, and the structural and transport properties in SmN thin films grown via molecular beam epitaxy grown on MgO(001). The varying levels of N vacancies introduced by varying the ratio of Sm to N atoms during deposition creates excess carriers that radically transform the electrical behavior of the film, over a range of five orders of magnitude, from highly resistive to highly conductive, and unlocking a phase transition evidenced by the presence of a ferromagnetic feature in resistivity. X-ray photoelectron spectroscopy results show that this effect is much less pronounced when varying the available nitrogen species. These samples retain a highly crystal quality despite being grown on a substrate with a lattice mismatch of 20%, alleviating the strain by forming a highly strained SmO oxide layer. The integration between SmN and several transition metal nitride compounds has the potential to unlock new architectures for Josephson junction devices.

36 - MATERIALS SCIENCE↗

Acoustic scattering by smooth elastic cylinders insonified by directional transceivers: Monostatic theory and experiments

A theoretical model for predicting the acoustic field scattered by an elastic cylinder that is partially insonified by a directional transceiver is proposed in the form of a simple approximate one-dimensional integral. This model accounts for spherical spreading and directivity of the incident waves and extends the formulation used in a preceding article by including effects due to oblique insonification of a long cylinder assuming negligible end-contributions. The scattered field of an infinitely long cylinder for obliquely incident plane waves and point receivers is used to approximate the apparent volume flow of cylinders partially insonified by directional transceivers. The scattered pressure that is derived using the apparent volume flow, in contrast to the previous formulation, is capable of predicting axially propagating guided wave resonances; these natural modes are excited, in addition to circumferential ones, at off-normal incident angles. The model is compared with exact numerical simulations and with previously published as well as new laboratory data. The analysis illustrates the different realistic effects associated with scattering from elastic cylinders insonified by a directional transceiver both theoretically and experimentally.

42 ENGINEERING↗

On the Correspondence between Seasonal Forecast Biases and Long-Term Climate Biases in Sea Surface Temperature

In this paper, the correspondence between mean sea surface temperature (SST) biases in retrospective seasonal forecasts (hindcasts) and long-term climate simulations from five global climate models is examined to diagnose the degree to which systematic SST biases develop on seasonal time scales. The hindcasts are from the North American Multi-Model Ensemble and the climate simulations are from the Coupled Model Intercomparison Project. The analysis suggests that most robust climatological SST biases begin to form within 6 months of a realistically initialized integration, although the growth rate varies with location, time, and model. In regions with large biases, interannual variability and ensemble spread is much smaller than the climatological bias. Additional ensemble hindcasts of the Community Earth System Model with a different initialization method suggest that initial conditions do matter for the initial bias growth, but the overall global bias patterns are similar after 6 months. A hindcast approach is more suitable to study biases over the tropics and sub-tropics than over the extra-tropics because of smaller initial biases and faster bias growth. The rapid emergence of SST biases makes it likely that fast processes with times scales shorter than the seasonal time scales in the atmosphere and upper ocean are responsible for a substantial part of the climatological SST biases. Studying the growth of biases may provide important clues to the causes and ultimately the amelioration of these biases. Further, initialized seasonal hindcasts can profitably be used in the development of high-resolution coupled ocean-atmosphere models.

54 ENVIRONMENTAL SCIENCES↗

Controlling Structural, Electronic, and Energy Flow Dynamics of Catalytic Processes through Tailored Nanostructures

MoS 2 (molybdenum disulfide) is a highly-versatile catalyst material for support of numerous reactions from hydrodesulfurization and denitrogenation to the focus of this renewal proposal: hydrogenation of CO/CO 2 towards (higher) alcohols. At the same time, MoS 2 is a non-toxic, environmentally-benign and rather inert material- which under ambient conditions for some time has served as a lubricant and, more recently, as next-generation electronic material. The apparent contrast between inertness and stability in ambient, and catalytic activity under reactive conditions is puzzling and calls for a synergistic theoretical and experimental investigation with the long-term objective of enabling the rational design of MoS 2 -based catalysts for alcohol-formation reactions by providing a microscopic understanding of the environmental factors that determines site activity and selectivity. Our research project seeks answers to the questions (a) what conformation does MoS 2 adopt under reaction conditions (as opposed to that under ultrahigh vacuum and low temperatures)?; (b) what reaction pathways exist on such a material?; (c) how can the local environment of the active sites be manipulated so as to make MoS 2 an efficient catalyst for production of higher alcohol from syngas? In particular, research strategies will explore how the basal plane composed of sulfur atoms can be activated so as to exhibit a reactivity of its own, by addressing three research targets and building on extensive preliminary and enabling work: (1) vacancies and vacancy aggregates on the basal plane; (2) non-local catalyst transformation through alkali doping, hydrogenation and phase transition; (3) fabrication of a metal-nanoparticle-activated MoS 2 system, in which particle anchoring, reactive sites and pathways as well as selectivity are controlled by design, as an example of predictive development of a catalyst material,. All strategies are directed to improve the efficacy of the key reactive sites and selectivity of chemical pathways by design, to replace the inefficient methodology of trial and error in catalyst development. This research project represents a synergistic combination of computational guidance, foundational surface-science-based experiments and validation under reactive conditions that aims at transformative new insights into the working of MoS 2 -based hydrogenation-catalysts, a topic squarely at the center of the interest of DOE BES. Guided and led by Talat Rahman, a computational physicist, this project will apply density functional theory to understand structure, reaction pathways and chemical potentials associated with MoS 2 -based CO/CO 2 hydrogenation, augmented by kinetic Monte Carlo methods for reaction rates and prefactors as well as ab-initio molecular dynamics for evaluation of thermal stability. Complementary experimental input and validation will originate from co-PI Ludwig Bartels, a physical chemist and materials scientist, whose group focuses on local imaging and preparation of MoS 2 materials, from co-PI Peter Dowben, an experimental physicist, whose group is expert in the spectroscopy of occupied and unoccupied electronic states, and from senior collaborator Michael White of Brookhaven National Laboratory, whose group generates high-resolution electronic and activity information on size-selected well-defined metal chalcogenide clusters. This collaborative effort will enable a comprehensive understanding of the correlation of structural integrity and catalytic activity of MoS 2 in forms ranging from extended films to individual particles with known geometries and binding sites. Alcohol formation from syngas is a rapidly emerging application that has great potential through facile, economic, and decentralized biomass gasification. CO 2 activation is one of the most pressing concerns of our time: increasing CO 2 levels in the atmosphere change the climate and expose the globe to environmental transformations with the potential for enormous economic and societal impact. We will investigate CO/CO 2 hydrogenation via an interdisciplinary research collaboration with established synergy – one that, in accordance with the mission of the DOE, involves accredited Hispanic-Serving Institutions and that, through student exchange with international collaborators and National Labs, will directly benefit a broad spectrum of communities and generate human resources in sciences essential to their future.

2D materials↗

A Comparative Analysis of Lithium-Ion Battery Chemistries for Cold-Climate Maritime Applications

Energy storage, primarily in the form of electrochemical batteries, is critical for enabling integration of marine energy (e.g., power from waves and currents) with end-use applications at sea due to the periodicity of the resources and requirement of consistent, smooth power delivery. Powering high-latitude coastal or ocean-based observing systems has been identified as a high value-proposition use case, exemplifying the concept of Powering the Blue Economy. An existing power system implementation for such a platform uses solar panels coupled to rechargeable lithium-ion batteries, augmented by a non-rechargeable backup bank used to power heaters in winter months. As wave energy is a potential resource for powering this and similar use cases and is strongest when solar power is most limited, it was hypothesized that integration of wave power would alleviate some of the challenges in cold climates related to energy storage. In this work, we investigate the use case scenario in simulation and perform a comparative test of commercially-available lithium-ion battery chemistry formulations to determine the most appropriate choice for the application. The experiment compared the most commonly-used lithium-based battery types (NCM, NCA, and LFP) in laboratory conditions emulating a battery enclosure thermally coupled to freezing seawater using an industrial battery performance tester in PNNL's arctic simulation lab. Battery strings were repeatedly cycled (i.e., charged, discharged, rested) and their usable capacity was measured. Both NCM and NCA strings exhibited degradation upon cycling, while the LFP string maintained stable operation through over 700 complete cycles. Though lower in baseline capacity, LFP are recommended for this and similar low-temperature applications with access to high levels of bulk charging current (e.g., from high-energy wave events) and their use may reduce the cost and complexity of battery conditioning and protection apparatus.

16 TIDAL AND WAVE POWER↗

Flue-Gas Desulfurization Effluent Management using an Innovative Low-Energy Biosorpotion Treatment System to Remove Key Contaminants

Among the most critical water contaminants of concern affecting wide geographical regions and a number of industries and natural systems is selenium. Selenium found in surface, ground and wastewater in originates from natural sources, as well as industrial sources such as petroleum refineries, electronics manufacturing, pesticides, and coal power plants and mining also contribute to selenium contamination in water in the US. At high concentrations, selenium is toxic to human and wildlife. There are a number of technologies that have been used to treat selenium and other similar contaminants in water. Biological treatment of selenium has been used in the past to reduce soluble SeVI and/or SeIV to insoluble Se0, which is then filtered in the same vessel. The insoluble selenium (Se0) is then backwashed from the system and solids are separated for subsequent disposal, if they meet the leaching and water content criteria. In order to promote biological reduction to insoluble Se0, heating of bioreactor is needed in some applications, and excess food source (electron donor) is added so that all selenium can be filtered. An additional disadvantage of these systems is the significant amount of water lost due to extensive and frequent backwash and rinse cycles. When comparing the advantages and energy requirements of the various treatment technologies, RO membrane filtration immediately stands out due to the excessive energy expenditure needed to pump water across the membrane although RO is an effective way to remove selenium. In addition, RO requires extensive pretreatment, such as MF membrane, and frequent maintenance, rendering it an expensive option that may be out of reach for certain applications. In fact, although the performance was good during the pilot testing by the NSMP Working Group for treatment naturally occurring selenium in the surface water, the high electricity requirements and significant reject water stream made it an infeasible alternative. While conventional ion exchange maybe an effective treatment option, it requires frequent regeneration of the resin when applied to highly contaminated water, which leads to several tons of contaminant-laden, high-salinity brine that needs to be disposed off-site each day. One of the water systems in the west coast currently uses ion exchange for selenium treatment and has been trucking selenium laden hazardous brine waste weekly in the last several years. Pneumatic pumping and rinse water pumping required for ion exchange also increase the energy usage. In comparison, adsorption process is a passive treatment system where contaminated water comes in contact with an adsorption media in a vessel. Typically, there is no mixing, backwash, or recycle pumping required, thus significantly reducing the energy usage. A passive single-use adsorption system does not require backwash, thereby generating small amount of process waste, and producing the highest water yield among the alternatives. The energy and water efficiencies, and applicability for SeVI and SeIV are summarized in Table 1. Despite these benefits though, adsorption typically does not work for the most oxidized form of selenium (SeVI). The innovative biosorption process integrates both process to increase the treatment efficiency while minimizing energy, chemical, and time required to treat both SeVI and SeIV. Additional advantages include simple partial biological reduction with reduced on-site waste generation, which lead to water and electricity savings, and less operational need compared to biological treatment alone. This makes biosorption especially suitable for remote areas, where liquid backwash and brine disposal may be cost prohibitive or infeasible.

20 FOSSIL-FUELED POWER PLANTS↗

Evaluating the Cloud for Capability Class Leadership Workloads

Cloud platforms offer a variety of benefits that are very appealing for a large scale HPC facility with a diverse and dynamic user base and workload set. At the same time, there is cause for concern about transitioning to the cloud. Incorporating cloud resources into existing HPC facilities or even fully transitioning to a cloud deployment poses significant challenges at the technical, organizational, and economic levels. Regardless, based on current trends it is highly likely that cloud platforms will become an integral component of many HPC centers in some form. To gain a better understanding of both the limitations and capabilities of current cloud infrastructures we evaluated the public offerings of the three leading cloud platforms (Amazon Web Services, Microsoft Azure, and Google Cloud Platform) using a selection of representative application workloads from our facility. Our findings show that while current HPC offerings are still nascent, significant progress is being made to address the present shortcomings. At the same time, significant challenges and questions remain about whether HPC cloud offerings will be able to deliver the full range of expected benefits.

97 MATHEMATICS AND COMPUTING↗

Convergence of Emerging Technologies - OWL Test Results

The OWL GroundAware GA1360 2D radar system with advertised capability of advanced digital beam-forming radar technology, classification intelligence, reconfigurability, and easy integration with other security systems to bring 360° of real-time, all-weather situational awareness for the physical security of perimeters and other sensitive areas for critical infrastructure.

47 OTHER INSTRUMENTATION↗

Reconceptualizing Off-Ramps as a Tool of U.S.-China Escalation Management

Great power rivalry, at any point on the competition spectrum, involves assessments of risks and decisions on where to take them. Assessing risk versus reward is also integral to the decision to cooperate in the form of arrangements like arms control. As Donald Brennan wrote more than sixty years ago, the value in arms control lies in whether it “reduce[s] the hazards of the present armament policies by a factor greater than the amount of risk introduced by the control measures themselves.” 2 States can assume in peacetime the risks inherent in cooperating with an adversary, to attempt to mitigate risks likely to arise in crisis or conflict. Or they can choose to forgo cooperation and assume risks later, which will complicate their ability to manage crises, war, and war termination.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Optimizing Alabama’s CO 2 Storage in Shelby County (Project OASIS): Task 4.0 Deliverable – Geologic Analysis Report

Project OASIS (Optimizing Alabama’s CO 2 Storage in Shelby County) is a geologic and reservoir characterization study designed to evaluate deep saline formations for potential long-term carbon dioxide (CO 2 ) storage in central Alabama near the National Carbon Capture Center (NCCC) and Alabama Power’s Plant Gaston. The project centers on the Cambro-Ordovician Knox Group and underlying strata such as the Conasauga and Rome Formations, which were investigated through the drilling of two stratigraphic test wells to obtain electronic well logs, core, and sidewall core plugs. These data provide direct measurements of porosity, permeability, and lithologic variability critical for reservoir characterization. Complementing the well program, a limited 2D seismic survey was acquired to help select the site for Westover #2, and a more regional Seismic Exchange (SEI) seismic survey was licensed and interpreted to define structural and stratigraphic frameworks in a new Static Earth Model (SEM), map reservoir continuity, and identify potential sealing intervals. Integrated with geologic and reservoir modeling, these datasets form the basis for evaluating storage capacity, injectivity, and containment.

20 FOSSIL-FUELED POWER PLANTS↗