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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 253 records · Page 14

Cosmological forecasts for future galaxy surveys with the linear point standard ruler: Toward consistent BAO analyses far from a fiducial cosmology

The linear point (LP) standard ruler was identified as the basis of a purely geometric method for exploiting the baryon acoustic oscillations (BAO). The LP exploits the BAO feature imprinted in the galaxy two-point correlation function to measure cosmological distances independent of any specific cosmological model. We forecast the expected precision of future and ongoing spectroscopic galaxy surveys to measure distances leveraging the linear point. We investigate the cosmological implications of our forecasted results. We focus in particular on a relevant working example: the detection of the late-time cosmic acceleration independent of other cosmological probes. Further, our findings show that, even within the Λ⁢CDM standard cosmological paradigm, estimated distances need to be reliable over a very wide parameter range in order to realize their maximum utility. This is particularly relevant if we aim to properly characterize cosmological tensions. The LP is a promising candidate approach to achieve this reliability. In contrast, widely employed procedures in BAO analysis estimate distances keeping fixed cosmological parameters to fiducial values close to cosmic-microwave-background constraints in flat-Λ⁢CDM. It is unclear whether they are purely geometric methods. Moreover, they rely on untested extrapolations to explore the parameter space away from those fiducial flat-Λ⁢CDM values. We recommend that all BAO methodologies be validated across the full range of models and parameters over which their results are quoted, first by means of linear predictions and then N -body simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

Tough Errors are no Match (TEAM): Optimizing the Quantum Compiler for Noise Resilience

This project builds toward a comprehensive error-mitigating toolkit that makes quantum programming more robust and adaptive to the noisy, resource-limited nature of today’s quantum hardware. To that end, it integrates established error-mitigation methods — such as zero-noise extrapolation and dynamical decoupling — directly into compiler infrastructures. These techniques will be packaged as modules that can automatically adjust and combine based on performance analysis, enabling compilers to explore large design spaces and produce optimized, low-noise quantum programs with minimal manual intervention. In parallel, this project also explores new approaches to analog quantum programming or quantum simulation, and has developed the programming language SimuQ which treats quantum Hamiltonian evolution as the central object.

97 MATHEMATICS AND COMPUTING↗

Fuel characteristics pertinent to the design of aircraft fuel systems, Supplement I : additional information on MIL-F-7914(AER) grade JP-5 fuel and several fuel oils

Since the release of the first NACA publication on fuel characteristics pertinent to the design of aircraft fuel systems (NACA-RM-E53A21), additional information has become available on MIL-F7914(AER) grade JP-5 fuel and several of the current grades of fuel oils. In order to make this information available to fuel-system designers as quickly as possible, the present report has been prepared as a supplement to NACA-RM-E53A21. Although JP-5 fuel is of greater interest in current fuel-system problems than the fuel oils, the available data are not as extensive. It is believed, however, that the limited data on JP-5 are sufficient to indicate the variations in stocks that the designer must consider under a given fuel specification. The methods used in the preparation and extrapolation of data presented in the tables and figures of this supplement are the same as those used in NACA-RM-E53A21.

Barnett, Henry C↗

Signal-Processing Algorithm Development for the ACLAIM Sensor

Methods for further minimizing the risk by making use of previous lidar observations were investigated. EOFs are likely to play an important role in these methods, and a procedure for extracting EOFs from data has been implemented, The new processing methods involving EOFs could range from extrapolation, as discussed, to more complicated statistical procedures for maintaining low unstart risk.

vonLaven, Scott↗

Subsonic Wing Loadings on a 45 deg Sweptback Wing and Body Combination at High Angles of Attack

A study has been made of the subsonic pressure distributions and loadings for a 45 deg sweptback-wing and body combination at angles of attack up to 36 deg. The wing had an aspect ratio of 5.5, a taper ratio of 0.53, and NACA 64A010 sections normal to the quarter-chord line and was mounted on a slender body of fineness ratio 12.5. Test results are presented for Mach numbers of 0.30 and 0.50 with corresponding Reynolds numbers of 1.5 and 2.0 million, respectively. The stall patterns and spanwise loadings at high angles of attack for the present model are correlated with those for other 45 deg sweptback wing and body combinations having aspect ratios between 4.0 and 8.0. A tentative approach is presented for extrapolating the Weissinger span-loading method to higher angles of attack, and for deriving the spanwise-load distributions for 45 deg sweptback wings at angles of attack above 20 deg. The investigation also included tests of the body in combination with only one panel of the swept wing. The problem of estimating the normal-force coefficient for the single panel at high angles of attack is considered.

Axelson, John A↗

Probabilistic Design and Analysis Framework

PRODAF is a software package designed to aid analysts and designers in conducting probabilistic analysis of components and systems. PRODAF can integrate multiple analysis programs to ease the tedious process of conducting a complex analysis process that requires the use of multiple software packages. The work uses a commercial finite element analysis (FEA) program with modules from NESSUS to conduct a probabilistic analysis of a hypothetical turbine blade, disk, and shaft model. PRODAF applies the response surface method, at the component level, and extrapolates the component-level responses to the system level. Hypothetical components of a gas turbine engine are first deterministically modeled using FEA. Variations in selected geometrical dimensions and loading conditions are analyzed to determine the effects of the stress state within each component. Geometric variations include the cord length and height for the blade, inner radius, outer radius, and thickness, which are varied for the disk. Probabilistic analysis is carried out using developing software packages like System Uncertainty Analysis (SUA) and PRODAF. PRODAF was used with a commercial deterministic FEA program in conjunction with modules from the probabilistic analysis program, NESTEM, to perturb loads and geometries to provide a reliability and sensitivity analysis. PRODAF simplified the handling of data among the various programs involved, and will work with many commercial and opensource deterministic programs, probabilistic programs, or modules.

Strack, William C.↗

Application of the Continuum Damage Mechanics Wilshire-Cano-Stewart (WCS) Model

In this study, the applications of the continuum damage mechanics-based Wilshire-Cano-Stewart (WCS) model are explored to predict rupture time, minimum-creep-strain-rate (MCSR), damage, damage evolution, and creep deformation. Increase knowledge in manufacturing methods has pushed the limit of material science and the development of new materials. Conventional testing is required to qualify materials against creep which according to the ASME B&PV III code, 10,000+ hours of experiments are necessary for each heat before materials are put into service. This process is costly and not feasible for new materials. As an alternative, models have been employed to predict creep behaviors and reduce the amount of time necessary for material qualification. Many models have been developed to predict distinct creep behaviors and the question of which model is best remains. Amongst current models, the WCS model has emerge with the ability to predict multiple behaviors using an explicit analytical approach with the ability to predict long-term creep. In this study the novel continuum damage mechanics WCS is employed in multiple applications. The goals of the study are (a) to discuss and determine the framework of the WCS model and validated it mathematically and using parametric simulations, (b) applied the model to accelerated creep data to show the capabilities of the model with non-conventional data, and (c) applied a novel numerical method, the datum temperature method (DTM) to show the model extrapolations and interpolations capabilities with limited and reduce data sets. To accomplish these goals, data is gathered for alloy P91 and Inconel 718 to develop and post-audit validate the model. The benefits of using the WCS model is that it provides an explicit stress and temperature dependency ideal for extrapolations, the coupled equations are suitable for finite element analysis (FEA) implementation, and it follows an explicit calibration approach. The model also proves that it can be applied to accelerated testing data and using the DTM.

Cano, Jaime A↗

Elaborated thermochemical treatment of HF, CO, N 2 , and H 2 O: Insight into HEAT and its extensions

Here, empirical, highly accurate non-relativistic electronic total atomization energies (eTAEs) are established by combining experimental or computationally converged treatments of the nuclear motion and relativistic contributions with the total atomization energies of HF, CO, N 2 , and H 2 O obtained from the Active Thermochemical Tables. These eTAEs, which have estimated (2σ) uncertainties of less than 10 cm -1 (0.12 kJ mol -1 ), form the basis for an analysis of high-level ab initio quantum chemical calculations that aim at reproducing these eTAEs for the title molecules. The results are then employed to analyze the performance of the high-accuracy extrapolated ab initio thermochemistry, or High-Accuracy Extrapolated Ab Initio Thermochemistry (HEAT), family of theoretical methods. The method known as HEAT-345(Q), in particular, is found to benefit from fortuitous error cancellation between its treatment of the zero-point energy, extrapolation errors in the Hartree-Fock and coupled cluster contributions, neglect of post-(T) core-correlation, and the basis-set error involved in higher-level correlation corrections. In addition to shedding light on a longstanding curiosity of the HEAT protocol—where the cheapest HEAT-345(Q) performs comparably to the theoretically more complete HEAT-456QP procedure—this study lays the foundation for extended HEAT variants that offer substantial improvements in accuracy relative to the established approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Atomistic learning in the electronically grand-canonical ensemble

Abstract A strategy is presented for the machine-learning emulation of electronic structure calculations carried out in the electronically grand-canonical ensemble. The approach relies upon a dual-learning scheme, where both the system charge and the system energy are predicted for each image. The scheme is shown to be capable of emulating basic electrochemical reactions at a range of potentials, and coupling it with a bootstrap-ensemble approach gives reasonable estimates of the prediction uncertainty. The method is also demonstrated to accelerate saddle-point searches, and to extrapolate to systems with one to five water layers. We anticipate that this method will allow for larger length- and time-scale simulations necessary for electrochemical simulations.

36 MATERIALS SCIENCE↗

Using Median Point in Keeling Plot to Reduce the Uncertainty of the Isotopic Composition of Evapotranspiration

Abstract The isotopic composition of evapotranspirationδ ET is a crucial parameter in isotope-based evapotranspiration (ET) partitioning and moisture recycling studies. The Keeling plot method is the most prevalent method to calculateδ ET , though it contains large extrapolated uncertainties from the least squares regression. Traditional Keeling regression uses the mean point of individual measurements. Here, a modified Keeling plot framework was proposed using the median point of individual measurements. We tested theδ ET uncertainty using the mean point [σ ET (mean)] and median point [σ ET (median)]. Multiple resolutions of input and output data from six independent sites were used to test the performance of the two methods. Theσ ET (mean) would be greater thanσ ET (median) when the mean value of inverse vapor concentration () is greater than the median value of inverse vapor concentration []. When applying the filter ofr 2 > 0.8, around 70% ofσ ET (mean) was greater thanσ ET (median). This phenomenon might be due to the normality of the vapor concentrationC υ producing the asymmetric distribution of 1/C υ . The median method could perform significantly better than the mean method when inputting high-resolution measurements (e.g., 1 Hz) and when the water vapor concentrationC υ is relatively low. Compared to the mean method, applying the median method could on average reduce 6.88% of ET partitioning uncertainties and could on average reduce 9.00% of moisture recycling uncertainties. This study provided a new insight of the Keeling plot method and emphasized handling model output uncertainty from multiple perspectives instead of only from input parameters.

Meteorology & Atmospheric Sciences↗

Constraining nuclear mass models using 𝑟-process observables with multiobjective optimization

Modeling nuclear masses, particularly for nuclei far from stability, remains a key objective in nuclear physics. One contemporary approach is machine learning (ML), which trains on experimental data, but can suffer large errors when extrapolating toward neutron-rich species. In nature, such masses shape observables for the rapid neutron capture process (𝑟 process), which in principle could inform ML models. Here, we introduce a multiobjective optimization approach using the Pareto front algorithm. We show that this technique, capable of identifying models that generate 𝑟-process abundances aligning with both solar and stellar data, is a promising method to select ML models with reliable extrapolation power.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

An immersed interface method for the 2D vorticity-velocity Navier-Stokes equations with multiple bodies

We present an immersed interface method for the vorticity-velocity form of the 2D Navier Stokes equations that directly addresses challenges posed by nonconvex immersed bodies, multiply connected domains, and the calculation of force distributions on immersed surfaces. The immersed interface method is re-interpreted as a polynomial extrapolation of flow quantities and boundary conditions into the immersed solid bodies, reducing computational cost and enabling simulations with nonconvex bodies that could not be discretized with previous immersed interface methods. In the flow, the vorticity transport equation is discretized using a conservative finite difference scheme and explicit Runge-Kutta time integration. The velocity reconstruction problem is transformed to a scalar Poisson equation that is discretized with conservative finite differences, and solved using an FFT-accelerated iterative algorithm. The use of conservative differencing throughout leads to exact enforcement of a discrete Kelvin's theorem, allowing for simulations with multiply connected domains and outflow boundaries that have challenged other immersed interface vortex methods. We also explore novel methods for recovering time-dependent pressure distributions on immersed bodies within a vorticity-based method and present a novel control volume formulation for recovering aerodynamic moments from only the vorticity and velocity fields. The method achieves second order spatial accuracy and third order temporal accuracy, and is validated on a variety of 2D flows in internal and free-space domains.

97 MATHEMATICS AND COMPUTING↗

Mixed-venous oxygen tension by nitrogen rebreathing - A critical, theoretical analysis.

There is dispute about the validity of the nitrogen rebreathing technique for determination of mixed-venous oxygen tension. This theoretical analysis examines the circumstances under which the technique is likely to be applicable. When the plateau method is used the probable error in mixed-venous oxygen tension is plus or minus 2.5 mm Hg at rest, and of the order of plus or minus 1 mm Hg during exercise. Provided, that the rebreathing bag size is reasonably chosen, Denison's (1967) extrapolation technique gives results at least as accurate as those obtained by the plateau method. At rest, however, extrapolation should be to 30 rather than to 20 sec.

Kelman, G. R.↗

Quantum utility-scale error mitigation for quantum quench dynamics in Heisenberg spin chains

Here, we implement a quantum error mitigation method termed self-mitigation, which is comparable to zero-noise extrapolation, at large scales to achieve quantum utility on near-term, noisy quantum computers. We investigate the effectiveness of several quantum error mitigation strategies, including self-mitigation, by simulating quantum quench dynamics for Heisenberg spin chains with system sizes up to 104 qubits using IBM quantum processors. In particular, we discuss the limitations of zero-noise extrapolation and the advantages offered by self-mitigation at large scales. The self-mitigation method demonstrates stable accuracy with large systems of 104 qubits comprising more than 3,000 CNOT gates. Also, we combine the discussed quantum error mitigation methods with practical entanglement entropy measuring methods, and it shows a good agreement with the theoretical estimation. Our study illustrates the usefulness of near-term noisy quantum hardware in examining the quantum quench dynamics of many-body systems at large scales and lays the groundwork for surpassing classical simulations with quantum methods prior to the development of fault-tolerant quantum computers.

97 MATHEMATICS AND COMPUTING↗

A Spatiotemporal-Aware Weighting Scheme for Improving Climate Model Ensemble Predictions

Multimodel ensembling has been widely used to improve climate model predictions, and the improvement strongly depends on the ensembling scheme. In this work, we propose a Bayesian neural network (BNN) ensembling method, which combines climate models within a Bayesian model averaging framework, to improve the predictive capability of model ensembles. Our proposed BNN approach calculates spatiotemporally varying model weights and biases by leveraging individual models' simulation skill, calibrates the ensemble prediction against observations by considering observation data uncertainty, and quantifies epistemic uncertainty when extrapolating to new conditions. More importantly, the BNN method provides interpretability about which climate model contributes more to the ensemble prediction at which locations and times. Thus, beyond its predictive capability, the method also brings insights and understanding of the models to guide further model and data development. In this study, we design experiments using an ensemble of CMIP6 climate model simulations to illustrate the BNN ensembling method's capability with respect to prediction accuracy, interpretability, and uncertainty quantification (UQ). We demonstrate that BNN can correctly assign larger weights to the regions and seasons where the individual model fits the observation better. Moreover, its offered interpretability is consistent with our understanding of localized climate model performance. Additionally, BNN shows an increasing uncertainty when the prediction is farther away from the period with constrained data, which appropriately reflects our trustworthiness of the models in the changing climate.

54 ENVIRONMENTAL SCIENCES↗

How accurate is a machine learning-based wind speed extrapolation under a round-robin approach?

As the size of commercial wind turbines keeps increasing, having accurate ways to vertically extrapolate wind speed is essential to obtain a precise characterization of the wind resource for wind energy production. Recently, machine learning has been proposed and applied to extrapolate wind speed to hub heights. However, previous studies trained and tested the machine learning methods at the same site, giving them an unfair advantage over the conventional extrapolation techniques, which are instead more universal. Here, we use data from four sites in Oklahoma to test a round-robin validation approach for machine learning, under which we train a random forest at a site, and test it at a different site, where the model has no prior knowledge of the wind resource. We quantify how the accuracy of this technique varies with distance from the training site, and we find that it outperforms conventional techniques for wind extrapolation at all the considered spatial separations. We then assess how the accuracy of the machine-learning based approach varies when it is used to predict wind speed in a wind farm far wake. Finally, we explore as case study the performance of the random forest in extrapolating winds during a low-level jet event.

17 WIND ENERGY↗

Modelling and experiment to stabilize disruptive tearing modes in the ITER baseline scenario in DIII-D

Abstract The achievement of high gain, stationary conditions in a tokamak scenario aimed at producing fusion energy in the ITER Project is crucial to the demonstration that this form of energy can be used in future reactors to provide cheap and clean energy globally. Disruptions are a challenge for the fusion energy field, in particular for the ‘ITER Baseline Scenario’ (IBS), as reproduced in the DIII-D tokamak. This work shows that a solution has been found for the m = 2/ n = 1 tearing modes that have consistently caused disruptions in the IBS: stable operation down to zero input torque was achieved by modifying the current density profile at the beginning of the pressure flattop and the ELM character later in the discharges, guided by previous results showing that the most likely cause of these instabilities is the current density profile. The coupling between sawteeth, n>2 modes and the 2/1 TMs is shown to not be statistically significant, nor the leading origin for the evolution towards instability. Ideal and resistive MHD modeling provide positive verification that a steeper ‘well’ in the region of the q = 2 rational surface leads to worse ideal stability, higher tearing index Δ’ and lower threshold Δ’ c for resistive instabilities, consistent with the experimental results. This provides confidence that the methods used in this work can be extrapolated to other devices and applied to avoid disruptions in ITER and pulsed fusion devices worldwide.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Automated Discovery for Emulytics

Sandia has an extensive background in cybersecurity research and is currently extending its state-of-the-art modeling via emulation capability. However, a key part of Sandia's modeling methodology is the discovery and specification of the information-system under study, and the ability to recreate that specification with the highest fidelity possible in order to extrapolate meaningful results. This work details a method to conduct information system discovery and develop tools to enable the creation of high-fidelity emulation models that can be used to enable assessment of our infrastructure information system security posture and potential system impacts that could result from cyber threats. The outcome are a set of tools and techniques to go from network discovery of operational systems to emulating complex systems. As a concrete usecase, we have applied these tools and techniques at Supercomputing 2016 to model SCinet, the world's largest research network. This model includes five routers and nearly 10,000 endpoints which we have launched in our emulation platform.

97 MATHEMATICS AND COMPUTING↗