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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 109 records · Page 6

EPCAPE-PT-LANL Measurements: Proton Transfer Reaction Mass Spectrometer

Coastal cities offer a unique environment for studying aerosol-cloud interactions and the effects of urban emissions on cloud properties. As part of the Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE), the Partitioning Thrust by Los Alamos National Laboratory (EPCAPE-PT-LANL) was conducted. Our campaign focused on measuring the optical and chemical properties of aerosols and their interactions within marine stratocumulus clouds in La Jolla, California. EPCAPE-PT-LANL enhances the primary goals of EPCAPE through innovative observations of vapor-phase transitions between aerosols and cloud droplets, the impact of black carbon on aerosol-cloud dynamics, and the effects of cloud processing on aerosol optical properties. Instrument: IONICON High-Resolution PTR-TOF-MS - Trace VOC Analyzer. Concentrations were calculated based on theoretical reaction rates of each species with H3O+. Details of the calculation are found in the PTR-MS Ionicon Manual. Data Notes: It is a high-resolution PTR-TOF-MS we have sub-selected relevant species. Contact us if you want additional data products from this instrument. Header: - CalculatedAcetonitrile[ppbv]: The concentration of acetonitrile expressed in parts per billion by volume (ppbv). - CalculatedAcetaldehyde[ppbv]: The concentration of acetaldehyde expressed in parts per billion by volume (ppbv). - CalculatedAcetone[ppbv]: The concentration of acetone expressed in parts per billion by volume (ppbv). - CalculatedAceticAcid[ppbv]: The concentration of acetic acid expressed in parts per billion by volume (ppbv). - CalculatedIsoprene[ppbv]: The concentration of isoprene expressed in parts per billion by volume (ppbv). - CalculatedMVK[ppbv]: The concentration of methyl vinyl ketone (MVK) and methacrolein (MACR) expressed in parts per billion by volume (ppbv). - CalculatedMEK[ppbv]: The concentration of methyl ethyl ketone (MEK) expressed in parts per billion by volume (ppbv). - CalculatedBenzene[ppbv]: The concentration of benzene expressed in parts per billion by volume (ppbv). - CalculatedToluene[ppbv]: The concentration of toluene expressed in parts per billion by volume (ppbv).

54 ENVIRONMENTAL SCIENCES↗

GDSA PFLOTRAN Development (FY2021)

The Spent Fuel & Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). A high priority for SFWST disposal R&D is to develop a disposal system modeling and analysis capability for evaluating disposal system performance for nuclear waste in geologic media. This report describes fiscal year (FY) 2021 advances of the PFLOTRAN Development group of the SFWST Campaign. The mission of this group is to develop a geologic disposal system modeling capability for nuclear waste that can be used to probabilistically assess the performance of generic disposal concepts. In FY 2021, development proceeded along three main thrusts: software infrastructure, code performance, and process model advancement. Software infrastructure improvements included implementing an Agile software development framework and making improvements to the QA Test Suite. Code performance improvements included development of advanced linear and nonlinear solvers as well as design of flexible smoothing algorithms for capillary pressure functions. Process modeling advancements included the addition of flexible thermal conductivity function definitions and refinement of multi-continuum reactive transport to support Sandia’s participation in DECOVALEX

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

PFLOTRAN Development FY2021

The Spent Fuel & Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). A high priority for SFWST disposal R&D is to develop a disposal system modeling and analysis capability for valuating disposal system performance for nuclear waste in geologic media. This report describes fiscal year (FY) 2021 advances of the PFLOTRAN Development group of the SFWST Campaign. The mission of this group is to develop a geologic disposal system modeling capability for nuclear waste that can be used to probabilistically assess the performance of generic disposal concepts. In FY 2021, development proceeded along three main thrusts: software infrastructure, code performance, and process model advancement. Software infrastructure improvements included implementing an Agile software development framework and making improvements to the QA Test Suite. Code performance improvements included development of advanced linear and nonlinear solvers as well as design of flexible smoothing algorithms for capillary pressure functions. Process modeling advancements included the addition of flexible thermal conductivity function definitions and refinement of multi-continuum reactive transport to support Sandia’s participation in DECOVALEX. This report fulfills the GDSA PFLOTRAN Development Work Package Level 3 Milestone – PFLOTRAN Development, FY2021, M3SF-21SN010304072.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Recent Advances in Functional Materials through Cellulose Nanofiber Templating

Advanced templating techniques have enabled delicate control of both nano- and microscale structures and have helped thrust functional materials into the forefront of society. Cellulose nanomaterials are derived from natural polymers and show promise as a templating source for advanced materials. Use of cellulose nanomaterials in templating combines nanoscale property control with sustainability, an attribute often lacking in other templating techniques. Use of cellulose nanofibers for templating has shown great promise in recent years, but previous reviews on cellulose nanomaterial templating techniques have not provided extensive analysis of cellulose nanofiber templating. Cellulose nanofibers display several unique properties, including mechanical strength, porosity, high water retention, high surface functionality, and an entangled fibrous network, all of which can dictate distinctive aspects in the final templated materials. Many applications exploit the unique aspects of templating with cellulose nanofibers that help control the final properties of the material, including, but not limited to, applications in catalysis, batteries, supercapacitors, electrodes, building materials, biomaterials, and membranes. A detailed analysis on the use of cellulose nanofibers templating is provided, addressing specifically how careful selection of templating mechanisms and methodologies, combined toward goal applications, can be used to directly benefit chosen applications in advanced functional materials.

36 MATERIALS SCIENCE↗

Deflection of Plasma by High Magnetic Fields at Variable Pressures (Final Report)

The goal of the proposed work is to study the deflection of plasma by high magnetic fields using the high uniform magnetic field of the Magnetized Dusty Plasma Experiment (MDPX) located at the Magnetized Plasma Research Laboratory (MPRL) at Auburn University. The proposal team consists of faculty from the University of Alabama in Huntsville (UAH). One of the motivations for this work is to study the concept of a magnetic nozzle for pulsed fusion propulsion. Fusion propulsion can provide extremely high specific impulse, >30,000 sec, for fuel-efficient and thus mass-efficient trips to other planets. One such fusion propulsion design of interest in this research is the Pulsed Fission-Fusion (PuFF) concept. PuFF uses a Z-pinch device to create a fusion reaction at the back of the spacecraft inside the magnetic nozzle. As the resulting plasma explosion is isotropic, a large portion of the momentum will be directed toward the ship and needs to be redirected to efficiently produce thrust. The magnetic nozzle is thus necessary to redirect or deflect the plasma from an isotropic expansion into the directed thrust. Thus, the pulsed-fusion propulsion nozzle is herein referred to as a deflection magnetic nozzle, as opposed to the more traditional and well-studied accelerating magnetic nozzle. The purpose of this project was thus to study the behavior of a plasma in the MDPX fields to better understand the plasma-field interactions and how it could lead to deflection and a pulsed fusion magnetic nozzle.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Enabling Efficient Surveillance, Control, and Automation of Geothermal Operations with Advanced Predictive Analytics

Automation and control of geothermal energy production and operations require reliable and efficient predictive tools. While physics-based simulation offers a comprehensive tool for predicting energy production performance in geothermal systems, predicting the behavior of geothermal reservoirs involves complex multi-physics processes with coupling effects, highly uncertain input parameters and subsurface descriptions. Moreover, building, running, and integrating simulation models into standard model calibration and optimization workflows entail significant technical and computational efforts. An emerging alternative to physics-based simulation is data-driven predictive analytics models that have gained popularity in energy industry. In this report, we develop novel predictive models for integration into real-time fault diagnosis and model predictive control algorithms to improve the efficiency of energy production operations in geothermal reservoirs. The report includes two major research Thrust Areas, that is, the surface power plant and the subsurface reservoir.

15 GEOTHERMAL ENERGY↗

A perspective on two-dimensional van der Waals opto-spin-caloritronics

Two-dimensional (2D) van der Waals magnetic semiconductors displaying controllable ferromagnetism at room temperature form atomically sharp interfaces with various substrates. Such heterostructures create platforms for understanding spin-dependent phenomena across interfaces and surfaces for high-performance technological applications. Combining these 2D magnets with light and the spin Seebeck effect (SSE) in-state-of-the-art thermo-opto-spin studies forms a new paradigm in the field of spin-caloritronics that harnesses light as the new heat. In this Perspective, we detail how to exploit recent advances in 2D van der Waals materials to boost the SSE and propose a new strategy for optically controlled SSE in 2D magnetic semiconductor-based heterostructures with the intent to establish the research thrust of “opto-spin-caloritronics.”

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Simulation of a High-Confinement Tidal Energy Array (Abstract)

When the projected area of a current turbine array occupies a substantial fraction of a tidal or river channel cross-sectional area, the confinement associated with the channel boundaries substantially increases turbine efficiency. This effect can be exploited to substantially reduce the levelized cost of energy for current turbine arrays. However, the presence of such an array will affect inflow velocity, water depth, and circulation in the surrounding area. This has implications for array performance and environmental impacts. This project combines existing numerical modeling capability from PNNL with an understanding of confined array performance from UW. The work will 1) Simulate tidal currents and water surface elevation in a regional circulation model that includes the Knik Arm site at appropriate resolution; 2) Incorporate a varying thrust coefficient into this model that reflects the outcomes of tidal hydrodynamic simulations of confined turbine arrays; 3) Use the model to determine the effects of array operation on water levels and inflow conditions as a function of different blockage ratios and control strategies; and 4) Identify the “far field” environmental implications of operating an array of this type. UW will use the outputs from this model to evaluate the implications of “feedback effects” and variable inflow conditions on levelized cost of energy estimates for a confinement exploiting array of cross-flow turbines.

16 TIDAL AND WAVE POWER↗

Fixing Amdahl's Law within the Limits of Accelerated Systems: FALLACY

Closeout report for FALLACY project. The performance of Data Model Convergence Initiative (DMC) applications on parallel machines is far below the limit set by Amdahl’s law. Whether the machine is based on many-core, GPUs, FPGAs, or a heterogeneous combination, usually the most significant bottleneck is accessing data from the memory system. Aligning with DMC’s HW/architecture thrust, this project developed a set of memory-centric tools called ‘MemGaze’ that inform the HW/SW stack about an application’s memory behavior, including data access latency and diagnosing poor data layout and data composition. Our approach uses architectural modeling and analysis of workload data accesses.

97 MATHEMATICS AND COMPUTING↗

Application of Molecular Catalysts for the Oxygen Reduction Reaction in Alkaline Fuel Cells

Here, the development of precious group metal-free (PGM-free) catalysts for the oxygen reduction reaction is considered as the main thrust for the cost reduction of fuel cell technologies and their mass production. Within the PGM-free category, molecular catalysts offer an advantage over other heat-treated PGM-free catalysts owing to their well-defined structure, which enables further design of more active, selective, and durable catalysts. Even though non-heat-treated molecular catalysts with exceptional performance have been reported in the past, they were rarely tested in a fuel cell. Herein, we report on a molecular catalyst under alkaline conditions: fluorinated iron phthalocyanine (FeFPc) supported on cheap and commercially available high-surface area carbon-BP2000 (FeFPc@BP2000). It exhibits the highest activity ever reported for molecular catalysts under alkaline conditions in half-cells and fuel cells.

25 ENERGY STORAGE↗

Biological Electron Transfer and Catalysis EFRC

The focus of the Biological Electron Transfer and Catalysis (BETCy) EFRC research is elucidating mechanisms of conversion of electrochemical potential into chemical bond energy and is organized into two integrated Thrusts: Electron Bifurcation Catalysis and Electron Transfer Kinetics. We are developing a collective knowledge of metalloenzymes as models for redox reactions by applying physical science and computational tools to characterize biochemical reactions catalyzed by multi- subunit enzymes harboring arrays of iron-sulfur clusters and flavin cofactors. Understanding these mechanisms is central to overcoming the thermodynamic barriers that currently limit production of reduced products and fuels. Biological systems have elegant strategies for converting electrochemical potential energy into chemical bond energy (e.g., C-H, H-H, and N-H) stored in reduced compounds that can serve as advanced biofuels. One significant limitation for the production of highly reduced compounds is that their production in natural and industrial processes relies on low oxidation-reduction potential chemicals as feedstocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Servo-aero-gravo-elastic (SAGE) scaling and its application to a 13-MW downwind turbine

Reduced scale wind turbines can be extremely cost-effective to test new rotor concepts since prototype costs are heavily dependent on the rotor diameter. Ideally, the scaled model would have the same non-dimensional deflections, dynamics, and control behavior as the full-scale model. This would provide a high-fidelity demonstration of the full-scale performance, which is ideal if the full-scale turbine has significant aeroelastic interactions. To this end, servo-aero-gravo-elastic (SAGE) scaling is developed and applied to a 13-MW turbine that is scaled to a 20% scale model. The scaling preserves the tip-speed ratio, the rotor speed normalized by the flapping frequency, and the tip deflections normalized by the blade length. In addition, the controller employs the same control structure (gain-scheduled pitch control and variable speed torque control) and is scaled dynamically (e.g., matching non-dimensional time constant of the pitch angle, etc.). Furthermore, the thrust, gravity, and centrifugal moments are scaled such that the load angles are preserved as a function of a non-dimensional wind speed. However, the environmental scaling must consider differences in Reynolds number (since this parameter cannot be held constant) and subsequent changes in the axial induction factor. While the presented results showcase these differences during operational conditions, the non-dimensional tip deflections remain comparable through all wind speed ranges, indicating the viability of the SAGE scaling method in matching full-scale aeroelastic responses.

Kaminski, Meghan (ORCID:0000000322334784)↗

THE LHeC ERL – OPTICS AND PERFORMANCE OPTIMIZATION

Unprecedently high luminosity of 1034 cm-2s-1, prom-ised by the LHeC accelerator complex poses several beam dynamics and lattice design challenges. Here we present beam dynamics driven approach to accelerator design, which in particular, addresses emittance dilution due to quantum excitations and beam breakup instability in a large scale, multi-pass Energy Recovery Linac (ERL). The use of ERL accelerator technology to provide im-proved beam quality and higher brightness continues to be the subject of active community interest and active accelerator development of future Electron Ion Colliders (EIC). Here, we employ current state of though for ERLs aiming at the energy frontier EIC. The main thrust of these studies was to enhance the collider performance, while limiting overall power consumption through explor-ing interplay between emittance preservation and effi-ciencies promised by the ERL technology.

Bogacz, Slawomir↗

Using a 1D Radially Symmetric Coda Envelope Model for Robust Moment Magnitude ( M w ) Estimation in Iraq’s Tectonically Diverse Zones

Robust estimation of moment magnitude (M w ) can be challenging for Iraq due to the strong lateral heterogeneity across diverse tectonic zones. We aim to improve moment magnitude estimation by investigating the reliability of using a 1D coda envelope model in diverse tectonic zones of different lateral effects and offer a way forward for reliable estimates of M w for small events that are difficult to waveform model. Iraq comprises two main tectonic zones: (1) the Outer platform, consisting of the northwestern Zagros fold-thrust belt and the Mesopotamian foredeep, and (2) the Inner Arabian platform which is overlain by the Iraqi desert. A simple 1D coda envelope model was used because coda waves have a low sensitivity to the source and path heterogeneity. Three separate coda calibrations were conducted to investigate the robustness of a single 1D calibration to fit the country: Whole-region calibration, Zagros calibration, and Mesopotamia calibration. In the whole-region calibration, we used stations from both the Zagros and Mesopotamia zones. In the two other calibration models, we used only stations that were in those particular zones. Ground-truth reference spectra derived from the coda spectral ratio method were used to constrain high-frequency site terms. There was no drastic difference when comparing the moment magnitudes calculated from the waveform modeling and the three calibration models. The results show that the 1D coda envelope model is a reliable method even for a region with diverse tectonic zones. Therefore, we recommend using the whole-region calibration model for moment magnitude estimation that provides more complete path coverage and avoids biases introduced by path correction failures. The proposed calibration is a fundamental step in updating the comprehensive earthquake catalog and probabilistic seismic hazard assessments for Iraq.

58 GEOSCIENCES↗

The Present and Future of QCD: QCD Town Meeting White Paper – An Input to the 2023 NSAC Long Range Plan

It is currently understood that there are four fundamental forces in nature: gravitational, electromagnetic, weak and strong forces. The strong force governs the interactions between quarks and gluons, elementary particles whose interactions give rise to the vast majority of visible mass in the universe. The mathematical description of the strong force is provided by the non-Abelian gauge theory Quantum Chromodynamics (QCD). While QCD is an exquisite theory, constructing the nucleons and nuclei from quarks, and furthermore explaining the behavior of quarks and gluons at all energies, remain to be complex and challenging problems. Such challenges, along with the desire to understand all visible matter at the most fundamental level, position the study of QCD as a central thrust of research in nuclear science. Experimental insight into the strong force can be gained using large particle accelerator facilities, which are necessary to probe the very short distance scales over which quarks and gluons interact. The Long Range Plans (LRPs) exercise of 1989 and 1996 led directly to the construction of two world-class facilities: the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Lab (JLab) that is focused on studying how the structure of hadrons emerges from QCD (cold QCD research), and the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Lab (BNL) that aims at the discovery and study of a new state of matter, the quark-gluon plasma (QGP), at extremely high temperatures (hot QCD research). These past investments have produced major advances. Nucleons and nuclei are being studied with increasing precision with a unified description of the partonic structure utilizing multi-dimensional imaging. Significant progress has been made, paving the way towards a complete picture of how quarks and gluons give rise to the mass, spin, and momentum of the nucleon. In hot QCD, the QGP is created in the collisions of nuclei at RHIC and the Large Hadron Collider (LHC) and is observed to behave like a fluid with very low specific shear viscosity; the current goals are to understand how the fluid behavior emerges from QCD and to characterize the temperature (and chemical potential) dependence of the properties of the QGP. As this White Paper is written, current experimental programs at CEBAF, RHIC and the LHC continue to provide exciting near term opportunities to capitalize on the investments in experimental equipment and accelerator operations. Most importantly, the QCD community looks forward to the construction of the Electron Ion Collider (EIC) as a major new facility to push forward QCD research in the next decades, with significant focus on exploring the properties of gluons, the mediators of the strong force.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

OC6 Project Phase IV: Validation of Numerical Models for Novel Floating Offshore Wind Support Structures

The fourth phase of the Offshore Code Comparison, Collaboration, Continued, with Correlation and unCertainty (OC6) aims to assess the ability of the tools to model a novel floating wind design. The design that was selected for this project is the TetraSpar designed by Stiesdal Offshore Technologies. The platform is a unique design that features a spar like stability with a very low center of gravity, but does not require deep-water ports. This combination is achieved with a system made of two separate steel structures, a hull at the water’s surface that supports the wind turbine tower, and a keel that is suspended below the main body. This lower keel has a very high density and drives the total platform’s low center of gravity. Scaled model tests of the TetraSpar design were performed in 2018-2019 by the University of Maine. The tests were performed with 1:43 Froude scaling. The data collected in the model tests provide a detailed description of the response of the platform in various controlled and relatively well understood conditions. Comparison with these data provides a good opportunity for validation of numerical models. The OC6 Phase IV work will focus on the specific parameters used in these scaled model tests. The load cases (LC) considered in this project are as follows: LC 1.X - Equilibrium and Static Offset Tests LC 2.X - Platform Free Decays LC 3.X - Turbine Thrust (Wind Only) LC 4.X - Regular and Irregular Waves (Wave only) LC 5.X - Combined Wind and Wave Loading

17 WIND ENERGY↗

Nuclear fusion powered Titan aircraft

This paper discusses a system for Titan exploration enabled by nuclear fusion power. Titan is one of the most interesting locations in the solar system with a thick atmosphere, surface oceans, under-ice oceans and complex terrain. This paper provides a conceptual design of a fusion-powered system to explore many parts of Titan and enable the use of high-power instruments. The design includes a fusion-powered orbital transfer vehicle and an electric Titan science aircraft. A Direct Fusion Drive (DFD) propulsive engine could bring a sizable spacecraft to Titan orbit in less than two years. A second fusion reactor, configured as a closed-loop power generator, would be used for an electric Titan science aircraft. Both reactors are based on the Princeton Field-Reversed Configuration (PFRC) concept which combines an FRC with a magnetic mirror. PFRC uses a novel radio-frequency plasma heating system and deuterium-helium-3 fuel. A lower temperature plasma flows around the closed-field FRC region removing the fusion products. In the DFD propulsive configuration, this secondary flow permits direct and variable thrust and exhaust velocity. The science aircraft would do a powered entry to Titan and then have the capability to fly anywhere on the moon at subsonic speeds. The DFD-powered transfer vehicle would allow the in-orbit transfer stage to change inclination as needed to cover different areas of the surface.

33 ADVANCED PROPULSION SYSTEMS↗

wtDigiTwin (Wind Turbine Digital Twin) [SWR-21-15]

This wind turbine digital twin software (wtDigiTwin) provides a digital twin solution for wind turbine applications. The focus of wtDigiTwin is to estimate loads, motions and environmental conditions for an operating wind turbine. The program uses supervisory control and data acquisition (SCADA) measurements as inputs, together with a wind turbine model. The wind industry is currently challenged by the high cost of operation and maintenance. These costs could be mitigated if component failures are predicted, but such predictions are difficult unless the turbines are equipped with expensive measuring devices. The alternative is to use a digital twin such as wtDigiTwin to estimate the necessary signals. wtDigiTwin can perform online prediction of signals that are otherwise not measured, using a limited set of reliable measurements and a physics-based model. The predicted signals can be used in applications that have direct cost benefits: 1) real-time estimation of the fatigue consumption of key components of the wind turbine; 2) root cause analyses and failure detections ; 3) lifetime reassessments ; 4) improvements to follow-on designs. The current version provides examples to estimate wind speed, thrust, torque, tower-top position, and tower loads on an onshore wind turbine using the following measurements tower top acceleration, generator torque, pitch, and rotational speed. The model combines a linear state-space model, a wind speed estimator, and a Kalman filter algorithm that integrates measurements with the state model to perform state estimations. The state space model is obtained either using OpenFAST linearizations, or using the yams package provided with the software.

Branlard, Emmanuel↗