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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 289 records · Page 16

Forecasting Remote Atmospheric Responses to Decadal Kuroshio Stability Transitions

Based on observational estimates and global ocean eddy-resolving coupled retrospective initialized predictions, we show that Kuroshio Extension variability affects rainfall variability along the west coast of North America. We show that the teleconnection between the current undulations and downstream rainfall can lead to improved subseasonal to seasonal predictions of precipitation over California, and we demonstrate that capturing these teleconnections requires coupled systems with sufficient ocean resolution (i.e., eddy-resolving), especially over time scales longer than one season. The improved forecast skill is diagnosed in terms of 35 years of retrospective initialized ensemble forecasts with an ocean eddy-resolving and an ocean eddy-parameterized coupled model. Not only does the ocean eddy-resolving model show sensitivity to Kuroshio Extension variability in terms of western North America precipitation, but the ocean eddy-resolving forecasts also show improved forecast skill compared to the ocean eddy-parameterized model. Additionally, the ocean eddy-parameterized coupled model shows no sensitivity to Kuroshio Extension variability. We also find near-decadal variability associated with a progression of a lower-tropospheric height dipole around the North Pacific and how these height anomalies lead to wind-driven Rossby waves that affect the eddy activity in the Kuroshio Extension with a time lag on the order of four years. This decadal-scale variability (~10 years) opens the possibility of multiyear predictability of western North American rainfall.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Demonstration of reduced-order urban scale building energy models

The aim of this study is to demonstrate a developed framework to rapidly create urban scale reduced-order building energy models using a systematic summary of the simplifications required for the representation of building exterior and thermal zones. These urban scale reduced-order models rely on the contribution of influential variables to the internal, external, and system thermal loads. OpenStudio Application Programming Interface (API) serves as a tool to automate the process of model creation and demonstrate the developed framework. The results of this study show that the accuracy of the developed reduced-order building energy models varies only up to 10% with the selection of different thermal zones. In addition, to assess complexity of the developed reduced-order building energy models, this study develops a novel framework to quantify complexity of the building energy models. Consequently, this study empowers the building energy modelers to quantify their building energy model systematically in order to report the model complexity alongside the building energy model accuracy. An exhaustive analysis on four university campuses suggests that the urban neighborhood buildings lend themselves to simplified typical shapes. Specifically, building energy modelers can utilize the developed typical shapes to represent more than 80% of the U.S. buildings documented in the CBECS database. One main benefits of this developed framework is the opportunity for different models including airflow and solar radiation models to share the same exterior representation, allowing a unifying exchange data. Altogether, the results of this study have implications for a large-scale modeling of buildings in support of urban energy consumption analyses or assessment of a large number of alternative solutions in support of retrofit decision-making in the building industry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Leapfrog Time-Stepping for Hermite Methods

We introduce here Hermite-leapfrog methods for first order linear wave systems. The new Hermite-leapfrog methods pair leapfrog time-stepping with the Hermite methods of Goodrich and co-authors et al. (Math Comput 75(254):595–630, 2006). The new schemes stagger field variables in both time and space and are high-order accurate for equations with smooth solutions and coefficients. We provide a detailed description of the method and demonstrate that the method conserves variable quantities. Higher dimensional versions of the method are constructed via tensor products. Numerical evidence and rigorous analysis in one space dimension establish stability and high-order convergence. Experiments demonstrating efficient implementations on a graphics processing unit are also presented.

97 MATHEMATICS AND COMPUTING↗

Fundamental investigations into the free‐radical copolymerization of N ‐phenylmaleimide and norbornene

ABSTRACT A fundamental investigation into the copolymerization of N ‐phenylmaleimide and norbornene via conventional free‐radical polymerization techniques was conducted. Reaction conditions were optimized for molecular weight and percent yield by tuning overall concentration and initiator loading. The copolymerization kinetics were monitored using in‐situ , variable temperature nuclear magnetic resonance and first‐order behavior was observed with respect to each monomer. Although the related copolymerization of norbornene and maleic anhydride was well‐known to proceed in a perfectly alternating manner, the copolymerization of norbornene and N ‐phenylmaleimide was found to deviate from strictly alternating copolymerization behavior, producing significant amounts of sequentially enchained N ‐phenylmaleimide units within the polymeric backbone. This deviation from perfectly alternating behavior was confirmed by analysis of individual monomer conversion rates and by measurement of monomer reactivity ratios using the Mayo–Lewis graphical analysis method. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016 , 54 , 985–991

Gmernicki, Kevin R.↗

Pendulum Systems with Dynamical Symmetry

In this paper, we consider a class of oscillatory mechanical systems described by nonlinear second-order differential equations that contain parameters with variable dissipation and possess the property of dynamic symmetry. We study properties of mathematical models of such systems depending on parameters. Special attention is paid to bifurcations and reconstructions of phase portraits and the appearance and disappearance of cycles that envelope the phase cylinder or lie entirely on its covering. We present a complete parametric analysis of system with position-viscous friction and four parameters, where the force action linearly depends on the speed. The space of parameters is split into domains in which the topological behavior of the system is preserved. For some classes of pendulum systems whose right-hand sides depend on smooth functions, a qualitative analysis is performed, i.e., the space of systems considered is split into domains of different behavior of trajectories on the phase cylinder of quasi-velocities. We also perform a systematic analysis of the problem on an aerodynamic pendulum and detect periodic modes unknown earlier; these modes correspond to cycles in the mathematical model.

97 MATHEMATICS AND COMPUTING↗

Atomistically-informed modeling of point defect clustering and evolution in irradiated ThO 2

A cluster dynamics (CD) model has been developed to investigate the nucleation and growth of point defect clusters, i.e., interstitial prismatic loops and nanoscale and sub-nanoscale voids, in ThO 2 during irradiation by energetic particles. The model considers cluster off-stoichiometry due to the asymmetry of point defect generation on the O and Th sublattices under irradiation, as well as the point defect diffusivities and the defect binding energies to clusters. The energies were established using detailed molecular dynamics simulations considering the statistical variability of cluster configuration. A high-order adaptive time-integration has been used to solve the model. The predicted loop density and their average size is in good agreement with reported experimental observations for proton irradiated ThO 2 at 600°C. In conclusion, the model did not predict void evolution due to the sluggish kinetics of cation vacancies, explaining the absence of voids in proton irradiated ThO 2 (and other oxides) at relatively low temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electrocatalytic Hydrogen Production by a Nickel Complex Containing a Tetradentate Phosphine Ligand

A nickel complex has been synthesized that contains the P4N2 ligand, a tetradendate phosphine ligand with two pendant amines in the ligand backbone. The rigidly square planar Ni(P4N2)2+ complex is an active electrocatalyst for reduction of protons to hydrogen. Using N,N-dimethylformamidium as the acid in wet acetonitrile solution, Ni(P4N2)2+ displays a turnover frequency of 1.6 × 106 s–1, which is among the fastest rates reported for any molecular electrocatalyst. This high catalytic rate comes at the cost of a 1200 mV overpotential at the catalytic half wave potential. The Ni(II) state of the catalyst was found to be stable under strongly acidic conditions, with only trace decomposition observed over two weeks in the presence of 0.1 M trifluoromethanesulfonic acid. The catalyst was less stable in the Ni(0) state due to the inability of the rigid P4N2 ligand to adopt a tetrahedral geometry. Using variable scan rate cyclic voltammetry, a first order rate constant of ~1 s–1 was measured for dissociation of a phosphine from Ni(0), which is proposed to be a key step for determining the lifetime of the catalyst during electrolysis. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for DOE.

Klug, Christina↗

No Galaxy Left Behind: Accurate Measurements with the Faintest Objects in the Dark Energy Survey

Accurate statistical measurement with large imaging surveys has traditionally required throwing away a sizable fraction of the data. This is because most measurements have relied on selecting nearly complete samples, where variations in the composition of the galaxy population with seeing, depth, or other survey characteristics are small. Here, we introduce a new measurement method that aims to minimize this wastage, allowing precision measurement for any class of detectable stars or galaxies. Moreover, our proposal was implemented in BALROG, software which embeds fake objects in real imaging to accurately characterize measurement biases. We demonstrate this technique with an angular clustering measurement using Dark Energy Survey (DES) data. We first show that recovery of our injected galaxies depends on a variety of survey characteristics in the same way as the real data. We then construct a flux-limited sample of the faintest galaxies in DES, chosen specifically for their sensitivity to depth and seeing variations. Using the synthetic galaxies as randoms in the Landy–Szalay estimator suppresses the effects of variable survey selection by at least two orders of magnitude. With this correction, our measured angular clustering is found to be in excellent agreement with that of a matched sample from much deeper, higher resolution space-based Cosmological Evolution Survey (COSMOS) imaging; over angular scales of 0$_.^°$004 < θ < 0$_.^°$2, we find a best-fitting scaling amplitude between the DES and COSMOS measurements of 1.00 ± 0.09. We expect this methodology to be broadly useful for extending measurements’ statistical reach in a variety of upcoming imaging surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Standardized protocols and procedures can precisely and accurately quantify non-structural carbohydrates

Non-structural carbohydrates (NSCs), the stored products of photosynthesis, building blocks for growth, and fuel for respiration, are central to plant metabolism, but their measurement is challenging. Differences in methods and procedures among laboratories can cause results to vary widely, limiting our ability to integrate and generalize patterns in plant C balance among studies. A recent assessment found that NSC concentrations measured for a common set of samples can vary by an order of magnitude, but sources for this variability were unclear. We measured a common set of nine plant material types, and two synthetic samples with known NSC concentrations, using a common protocol for sugar extraction and starch digestion, and three different sugar quantification methods (ion chromatography, enzyme, acid) in six laboratories. We also tested how sample handling, extraction solvent, and centralizing parts of the procedure in one laboratory affected results. NSC concentrations measured for synthetic samples were within about 11.5% of known values for all three methods. However, differences among quantification methods were the largest source of variation in NSC measurements for natural plant samples because the three methods quantify different NSCs. The enzyme method quantified only glucose, fructose, and sucrose, with ion chromatography we additionally quantified galactose, while the acid method quantified a large range of mono- and oligosaccharides. For some natural samples, acid method quantification doubled sugar relative to the other methods, demonstrating that trees allocate C to a range of sugar molecules. Sample handling had little effect on measurements, while ethanol sugar extraction improved accuracy over water extraction. Our results demonstrate that reasonable accuracy of NSC measurements can be achieved when different methods are used, as long as protocols are robust and standardized. Thus, we provide detailed protocols for the extraction, digestion and quantification of NSCs in plant samples, which should improve the comparability of NSC measurements among laboratories.

Landhäusser, Simon M.↗

Chemomechanics in alloy phase stability

We describe a first-principles statistical mechanics method to calculate the free energies of crystalline alloys that depend on temperature, composition, and strain. The approach relies on an extension of the alloy cluster expansion to include an explicit dependence on homogeneous strain in addition to site occupation variables that track the degree of chemical ordering. The method is applied to the Si-Ge binary alloy and is used to calculate free energies that describe phase stability under arbitrary epitaxial constraints. We find that while the incoherent phase diagram (in which coexisting phases are not affected by coherency constraints) hosts a miscibility gap, coherent phase equilibrium predicts ordering and negative enthalpies of mixing. Instead of chemical instability, the chemomechanical free energy exhibits instabilities along directions that couple the composition of the alloy with a volumetric strain order parameter. Furthermore, this has fundamental implications for phase field models of spinodal decomposition as it indicates the importance of gradient energy coefficients that couple gradients in composition with gradients in strain.

Materials Science↗

SU-C-207-07: Quantification of Coronary Artery Cross-Sectional Area in CT Angiography Using Integrated Density: A Phantom Study

Purpose: To investigate the feasibility of quantifying the cross-sectional area (CSA) of coronary arteries using integrated density in a physics-based model with a phantom study. Methods: In this technique the total integrated density of the object as compared with its local background is measured so it is possible to account for the partial volume effect. The proposed method was compared to manual segmentation using CT scans of a 10 cm diameter Lucite cylinder placed inside a chest phantom. Holes with cross-sectional areas from 1.4 to 12.3 mm{sup 2} were drilled into the Lucite and filled with iodine solution, producing a contrast-to-noise ratio of approximately 26. Lucite rods 1.6 mm in diameter were used to simulate plaques. The phantom was imaged with and without the Lucite rods placed in the holes to simulate diseased and normal arteries, respectively. Linear regression analysis was used, and the root-mean-square deviations (RMSD) and errors (RMSE) were computed to assess the precision and accuracy of the measurements. In the case of manual segmentation, two readers independently delineated the lumen in order to quantify the inter-reader variability. Results: The precision and accuracy for the normal vessels using the integrated density technique were 0.32 mm{sup 2} and 0.32 mm{sup 2}, respectively. The corresponding results for the manual segmentation were 0.51 mm{sup 2} and 0.56 mm{sup 2}. In the case of diseased vessels, the precision and accuracy of the integrated density technique were 0.46 mm{sup 2} and 0.55 mm{sup 2}, respectively. The corresponding results for the manual segmentation were 0.75 mm{sup 2} and 0.98 mm{sup 2}. The mean percent difference for the two readers was found to be 8.4%. Conclusion: The CSA based on integrated density had improved precision and accuracy as compared with manual segmentation in a Lucite phantom. The results indicate the potential for using integrated density to improve CSA measurements in CT angiography.

60 APPLIED LIFE SCIENCES↗

Separations of Variables and Analytic Contractions on Two-Dimensional Hyperboloids

In this review we present recent results in the field of analytical contraction of Lie algebra in two-dimensional hyperbolic space. A complete geometric description for all possible orthogonal and nonorthogonal (related to the first order symmetries) systems of coordinates, which allow separation of variables of two-dimensional Laplace–Beltrami or Helmholtz equation on the two-sheeted (upper sheet) H{sub 2} and the one-sheeted H-tilde {sub 2} hyperboloids is given. The limiting transition between non subgroup (mostly parametric) and subgroup systems is conducted. The analytic contractions between various systems of coordinates in two hyperbolic spaces and Euclidean E{sub 2} and Minkowski E{sub 1,1} spaces are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Spatial and Temporal Variability of Vertical Velocity under Shallow Cumulus

Vertical velocity distribution below cloud is one of the key determinants of cloud life cycle, but observations of this variable are extremely sparse in space. Doppler lidar retrievals and large-eddy simulations at the U.S. Department of Energy’s Atmospheric Radiation Measurement User Facility Southern Great Plains site are used to determine whether vertical velocity statistics from temporally dense profiles at a single location can be substituted for spatial vertical velocity statistics. We show that even a small number (five) of widely distributed [ O (1°) latitude/longitude spacing] lidars is sufficient sampling to reconstruct domainwide spatial vertical velocity variance, but not higher moments of the vertical velocity distribution. Spatial and temporal vertical velocity variances in the Doppler lidar observations are nearly interchangeable as long as the spatial variance is temporally averaged and the temporal variance is averaged across lidars. This is true even though the dominant spatial scales of vertical velocity variability are ≲ 3 km, more than an order of magnitude smaller than the spacing between the lidars. Further, in the limit where the temporal variance does not vary across a spatial domain (e.g., if the meteorological and surface forcing of the atmospheric turbulence is homogeneous across the domain) and the domain-mean vertical velocity is zero, the commonly available retrieval of temporal vertical velocity variance at one site is equivalent to the spatial variance over the domain. We use an updraft parcel model to show that substituting temporal for spatial vertical velocity statistics will have a relatively minor effect on cloud droplet number concentrations.

54 ENVIRONMENTAL SCIENCES↗

Development of a dynamical model and energy analysis for wheel loader

The objective of this paper is to develop a fully integrated model for the wheel loader, including the subsystem dynamics of the engine, drivetrain, working circuit, steering circuit, and vehicle. It leads to a high-order strongly nonlinear system, and all state variables are coupled together to form a Multi-Input and Multi-Output (MIMO) system. A control architecture is proposed to decouple the MIMO system into several Single-Input and Single-Output (SISO) systems. Here, a tracking problem has been formulated to validate this fully integrated model with the field test data. The accuracy of the model is verified by the 2.3% difference between the measured and simulated fuel consumption. Meanwhile, an energy distribution analysis is conducted to reveal the energy consumption and energy loss of each portion of the wheel loader. Such a model can be used to plan the working pattern, guide the driving habits of human operators, or refine the underlying architecture, leading to the ultimate goal of reducing total fuel consumption and improving productivity.

42 ENGINEERING↗

Robust, automated sleep scoring by a compact neural network with distributional shift correction

Studying the biology of sleep requires the accurate assessment of the state of experimental subjects, and manual analysis of relevant data is a major bottleneck. Recently, deep learning applied to electroencephalogram and electromyogram data has shown great promise as a sleep scoring method, approaching the limits of inter-rater reliability. As with any machine learning algorithm, the inputs to a sleep scoring classifier are typically standardized in order to remove distributional shift caused by variability in the signal collection process. However, in scientific data, experimental manipulations introduce variability that should not be removed. For example, in sleep scoring, the fraction of time spent in each arousal state can vary between control and experimental subjects. We introduce a standardization method, mixture z-scoring, that preserves this crucial form of distributional shift. Using both a simulated experiment and mouse in vivo data, we demonstrate that a common standardization method used by state-of-the-art sleep scoring algorithms introduces systematic bias, but that mixture z-scoring does not. We present a free, open-source user interface that uses a compact neural network and mixture z-scoring to allow for rapid sleep scoring with accuracy that compares well to contemporary methods. This work provides a set of computational tools for the robust automation of sleep scoring.

60 APPLIED LIFE SCIENCES↗

Modifications to Solar Titan-130 Combustion Systems for Efficient, High Turndown Operation

The project team of Southwest Research Institute® (SwRI®), Solar Turbines Incorporated (Solar), the Electric Power Research Institute (EPRI), the University of California, Irvine (UCI), and the Georgia Institute of Technology (Georgia Tech) investigated methods to allow higher efficiency part-load operation of a Solar Titan 130 gas turbine. The objective was to develop a low-emission combustion system capable of sustaining combustion and avoiding lean blowout during high turndown operation, which would allow the gas turbine to operate as efficiently as possible at part load. Currently, electric utility markets are beginning to experience substantial increases in renewable energy generation. Some of these renewable energy sources have highly variable output in an uncontrolled manner. In order to maintain grid stability, there is a need for power plants to ramp up power to the grid rapidly to make up for drops in renewable generation. This is often termed spinning reserve, but the size of this reserve may need to increase as renewable penetration into the electric utility market increases. Small combined heat and power (CHP) power plants provide a promising option for meeting this spinning reserve requirement. In order to operate in spinning reserve while still meeting the heat requirements for the CHP, the gas turbine needs to operate efficiently at very low loads. Efficient, high turndown operations in this engine are limited by the lean flammability limit of the premixed combustion system. This project sought enhance the lean operability range of the Titan 130 combustor. First, the project team participated in a brainstorming activity and ultimately selected two concepts to explore: fuel augmentation with hydrogen (H2) to improve the stability at lean operating conditions and modifications to the fuel nozzle to improve the emissions performance at lean operating conditions. Analytical and laboratory investigations were accomplished by UCI to investigate the efficacy of H2 addition at improving lean blow out (LBO) limits and the resulting emissions. These investigations used a variety of chemical reactor network (CRN) and CFD models, validated against laboratory data, to model the impact of H 2 and inform the experimental efforts accomplished by SwRI and Solar. Ultimately, both the CRN and CFD models yielded generally good agreement with the experimental data below a particular temperature threshold. Atmospheric tests of a full-scale T130 annular combustor were performed at SwRI facilities in San Antonio, Texas, to investigate the use of H 2 addition. For these tests, the T130 combustion system remained largely unchanged; minor modifications were performed to the fuel ducting to allow for the safe use of H 2 . The test ultimately demonstrated that the addition of H 2 to the fuel mixture significantly increased the AFR ratio at which the combustor could operate. This improvement to the LBO limit should allow for less use of compressor bleed and less throttling needed by the inlet guide vanes (IGV). This in turn could result in more efficient operation of the gas turbine at lower load points. The second modification explored in this work was a direct modification to the T130 injector. The project team hypothesized that modifications to the pilot of the T130 injector could provide lower emissions at high turn-down operations. These modifications were manufactured and explored by the team at Solar. High pressure rig tests, originally slated to occur at SwRI, were ultimately accomplished by Solar to maintain overall project budget and mitigate cost growth attributable to supply chain issues and inflation. The pressurized rig tests ultimately showed that the SwRI Project No. 18.24153 - DE-EE0008415 Page 2 Final Technical Report January 24, 2024 modifications did not significantly alter the performance of the combustion system at the high turn-down conditions; both the modified injectors and the baseline configuration exhibited elevated emissions comparted to the full-load operating condition. A final set of studies performed by EPRI investigated the benefit-cost of flexible CHP as well as a grid interconnection study for the California Independent System Operator (CAISO) grid. These studies considered: traditional CHP with no spinning reserve available for on-demand grid support, 50% flexible CHP where 50% of the machine’s capacity is consumed by on-site baseload operations while providing an additional 50% capacity for on-demand grid support, and 70% flexible CHP where 70% of capacity is consumed on-site by baseload operations and 30% is available for on-demand grid support. In all cases, the analyses showed a benefit-to-cost ratio greater than unity implying a positive net present value for all configurations. However, the traditional CHP showed the most economic benefit. These results are sensitive to several factors, many of which are not fully known and may vary over time. Thus site owners must be convinced that taking up the increased costs and risks from flexible CHP would be worth implementing. As the grid in California and across the country transition to incorporate larger renewable energy generation, flexible CHP can provide much needed operating reserves and dispatchability. Alternative fuel options, such as hydrogen blending and biofuels, may also lower carbon intensities of CHP. Flexible CHP should be examined in the evolving market to understand innovative business models, changes market rules and services, and new technologies.

20 FOSSIL-FUELED POWER PLANTS↗

Updates on Nucleon Form Factors from Clover-on-HISQ Lattice Formulation

Updates on results for the electric, magnetic and axial vector form factors are presented. The data analyzed cover high statistics measurements on 11 ensembles generated with 2+1+1 flavors of HISQ fermions by the MILC collaboration. The data cover the range 0.05 fm < a < 0.15 fm in lattice spacing, 135 MeV < M π < 320 MeV in the pion mass and 3.3 < M π L < 5.5 in the lattice size. Fits to control excited-state contamination use up to 3-states in the spectral decomposition of the 3-point functions. The simultaneous chiral-continuum-finite-volume fits include leading order corrections in each of the three variables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Virtual element approximations of the time-fractional nonlinear convection-diffusion equation on polygonal meshes

We extend the Virtual Element Method to a two-dimensional unsteady nonlinear convection-diffusion equation characterized by a fractional-order derivative with respect to the time variable. Our methodology is based on three fundamental technical components: a fractional version of the Grunwald-Letnikov approximation, discrete maximal regularity, and the regularity theory associated with non-linearity. We prove the method's well-posedness, i.e., the approximate solution's existence and uniqueness to the time-fractional convection-diffusion equation with a Lipschitz nonlinear source term. The fully discrete scheme inherently maintains stability and consistency by leveraging the discrete maximal regularity and the energy projection operator. The convergence in the L 2 -norm and H 1 -norm to various mesh configurations is validated by numerical results, underlining the practical effectiveness of the proposed method.

97 MATHEMATICS AND COMPUTING↗