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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Average charge states of heavy ions in rarefied hydrogen

In this work, we present the results of experiments on measuring the charges of heavy ions from Rn (Z=86) to Og (Z=118) in rarefied hydrogen performed at the DGFRS and DGFRS-2 separators. Two formulae are proposed that can be used to calculate the charges of ions in H 2 and which take into account the influence of the shell structure of atoms on the charge value. The accuracy of estimating the charge of ions of superheavy atoms was measured to be 2%. The charges of Ra, Th, and No ions were measured at a hydrogen pressure from 0.5 to 3.3 mbar, which allowed us to evaluate the effect of H 2 density on the charge value. A formula is proposed to account for the effect of gas density when performing experiments at different gas pressures. It is shown that the results of experiments performed at different separators DGFRS and DGFRS-2 are in good agreement with each other.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Insights from application of a hierarchical spatio-temporal model to an intensive urban black carbon monitoring dataset

Existing regulatory pollutant monitoring networks rely on a small number of centrally located measurement sites that are purposefully sited away from major emission sources. While informative of general air quality trends regionally, these networks often do not fully capture the local variability of air pollution exposure within a community. Recent technological advancements have reduced the cost of sensors, allowing air quality monitoring campaigns with high spatial resolution. The 100×100 black carbon (BC) monitoring network deployed 100 low-cost BC sensors across the 15 km 2 West Oakland, CA community for 100 days in the summer of 2017, producing a nearly continuous site-specific time series of BC concentrations which we aggregated to one-hour averages. Leveraging this dataset, we employed a hierarchical spatio-temporal model to accurately predict local spatio-temporal concentration patterns throughout West Oakland, at locations without monitors (average cross-validated hourly temporal R 2 =0.60). Using our model, we identified spatially varying temporal pollution patterns associated with small-scale geographic features and proximity to local sources. In a sub-sampling analysis, here we demonstrated that fine scale predictions of nearly comparable accuracy can be obtained with our modeling approach by using ~30% of the 100×100 BC network supplemented by a shorter-term high-density campaign.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Convergent Concordant Mode Approach for Molecular Vibrations: CMA-2

The concordant mode approach (CMA) is a promising new scheme for dramatically increasing the system size and level of theory achievable in quantum chemical computations of molecular vibrational frequencies. Here, we achieve advances in the CMA hierarchy by computations targeting CCSD(T)/cc-pVTZ (coupled cluster singles and doubles with perturbative triples using a correlation-consistent polarized-valence triple-ζ basis set) benchmarks within the G2 molecular test set, executing a statistical analysis for 1501 frequencies from 111 compounds and then separately solving the refractory case of pyridine. First, MP2/cc-pVTZ (second-order Møller–Plesset perturbation theory with the same basis set) proves to be an excellent and preferred choice for generating the underlying (Level B) normal modes of the CMA scheme. Utilizing this Level B within the CMA-0A method reproduces the 1501 benchmark frequencies with a mean absolute error (MAE) of only 0.11 cm –1 and an attendant standard deviation of 0.49 cm –1 . Second, a convergent CMA-2 method is constituted that allows efficient computation of higher level (Level A) frequencies to any reasonable accuracy threshold by using only Hartree–Fock (HF) and MP2 or density functional theory (DFT) data to generate ξ parameters, which select the sparse off-diagonal force field elements for explicit evaluation at Level A. When Level B = MP2/cc-pVTZ, a cutoff of ξ = 0.02 provides an average maximum absolute error per molecule of only 0.17 cm –1 by incurring merely a 33% increase in average cost over CMA-0A. This CMA-2 method also eradicates the 4 problematic CMA-0A outliers of pyridine with even less effort (ξ = 0.04, 22% increase). Finally, the newly developed CMA procedures are shown to be highly successful when applied to 1-(1H-pyrrol-3-yl)ethanol, a new test molecule with diverse types of vibration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Bayesian calibration of irradiated graphite property models under high temperatures

Graphite under high temperatures and irradiation is central to advanced reactors. We develop a Bayesian calibration framework for graphite property models that explicitly represents model-data mismatch via a Gaussian-process discrepancy. The approach propagates uncertainty from parameters, experimental noise, and model form, with a hierarchical variance structure to capture group and cross-group noise. Using two predictive models across five grades (IG-110, NBG-18, PCEA, NBG-17, 2114) and four properties-irradiation-induced dimension change, creep, Young’s modulus change ratio, and coefficient of thermal expansion change ratio-we obtain average predictive-error reductions of 54%, 65%, 17%, and 17% when discrepancy is included. We illustrate engineering impact with a multiphysics model of a very-high-temperature reactor prismatic reflector brick, analyzing stresses under high fluence and temperature. Accounting for model discrepancy markedly improves predictive accuracy and provides a robust basis for reliable graphite component design in advanced reactors.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Derivation of A Representative Elementary Volume (REV) for Upscaled Two-Phase Flow in Porous Media

Relative permeability plays an important role in the upscaling of multiphase flow in porous media from the pore scale to the Darcy scale. The entire concept of relative permeability is contingent on the existence of a representative elementary volume (REV). As we move to smaller samples to measure relative permeability, such as with digital core analysis, the concept of a classical REV has become increasingly unlikely when using the conventional approach to defining a representative volume. The “‘conventional”’ understanding of an REV is that a large enough volume must be considered such that spatial variability averages out. In digital rock methods, such as pore-scale simulations based on micro-computed tomography (CT) images, the domain size is typically 2 to 4 mm. This is approximately the length scale of a single-phase flow REV using the classic REV approach. However, the single-phase perspective does not consider the complex dynamics and fluctuations often observed in multiphase flow systems, even at centimeter-scale experiments and/or simulations. A fundamental question is, therefore, whether the domain size commonly used in digital rock simulations can provide a consistent energy budget such that the concept of relative permeability exists. Based on first principles, relative permeability accounts for the rate of energy dissipated in a stationary process. If the dynamics are fluctuating, the energy dissipated can vary but will average out over a long enough timescale. The key to determining the validity of the relative permeability is the timescale of the measurement, not the spatial scale. The conventional REV theory assumes that spatial, temporal, and ensemble averages are equivalent in an ergodic system, but it does not provide a way to test this assumption. We provide a formal way to identify the timescale where the relative permeability accurately captures energy dissipation as a way to validate relative permeability measurements and quantitatively assess their accuracy. This result will be tested for a practical SCAL test, determining how long a flow experiment needs to be run to accurately characterize the rate of energy dissipation by the flow. The outcome will be a best practice guide for the determination of relative permeability from core-scale experiments and/or digital core simulations that ensure the energy budget is fully accounted for in the relative permeability coefficient.

Mcclure, James [Virginia Tech, Blacksburg]↗
NASA NTRS1980

Initial geomagnetic field model from Magsat vector data

Magsat data from the magnetically quiet days of November 5-6, 1979, were used to derive a thirteenth degree and order spherical harmonic geomagnetic field model, MGST(6/80). The model utilized both scalar and high-accuracy vector data and fit that data with root-mean-square deviations of 8.2, 6.9, 7.6 and 7.4 nT for the scalar magnitude, B(r), B(theta), and B(phi), respectively. The model includes the three first-order coefficients of the external field. Comparison with averaged Dst indicates that zero Dst corresponds with 25 nT of horizontal field from external sources. When compared with earlier models, the earth's dipole moment continues to decrease at a rate of about 26 nT/yr. Evaluation of earlier models with Magsat data shows that the scalar field at the Magsat epoch is best predicted by the POGO(2/72) model but that the WC80, AWC/75 and IGS/75 are better for predicting vector fields.

Langel, R. A.↗
NASA NTRS1984

Determination of monthly mean humidity in the atmospheric surface layer over oceans from satellite data

A simple statistical technique is described to determine monthly mean marine surface-layer humidity, which is essential in the specification of surface latent heat flux, from total water vapor in the atmospheric column measured by space-borne sensors. Good correlation between the two quantities was found in examining the humidity soundings from radiosonde reports of mid-ocean island stations and weather ships. The relation agrees with that obtained from satellite (Seasat) data and ship reports averaged over 2 deg areas and a 92-day period in the North Atlantic and in the tropical Pacific. The results demonstrate that, by using a local regression in the tropical Pacific, total water vapor can be used to determine monthly mean surface layer humidity to an accuracy of 0.4 g/kg. With a global regression, determination to an accuracy of 0.8 g/kg is possible. These accuracies correspond to approximately 10 to 20 W/sq m in the determination of latent heat flux with the bulk parameterization method, provided that other required parameters are known.

Liu, W. T.↗
NASA NTRS1990

Multiprocessing on supercomputers for computational aerodynamics

Very little use is made of multiple processors available on current supercomputers (computers with a theoretical peak performance capability equal to 100 MFLOPs or more) in computational aerodynamics to significantly improve turnaround time. The productivity of a computer user is directly related to this turnaround time. In a time-sharing environment, the improvement in this speed is achieved when multiple processors are used efficiently to execute an algorithm. The concept of multiple instructions and multiple data (MIMD) through multi-tasking is applied via a strategy which requires relatively minor modifications to an existing code for a single processor. Essentially, this approach maps the available memory to multiple processors, exploiting the C-FORTRAN-Unix interface. The existing single processor code is mapped without the need for developing a new algorithm. The procedure for building a code utilizing this approach is automated with the Unix stream editor. As a demonstration of this approach, a Multiple Processor Multiple Grid (MPMG) code is developed. It is capable of using nine processors, and can be easily extended to a larger number of processors. This code solves the three-dimensional, Reynolds averaged, thin-layer and slender-layer Navier-Stokes equations with an implicit, approximately factored and diagonalized method. The solver is applied to generic oblique-wing aircraft problem on a four processor Cray-2 computer. A tricubic interpolation scheme is developed to increase the accuracy of coupling of overlapped grids. For the oblique-wing aircraft problem, a speedup of two in elapsed (turnaround) time is observed in a saturated time-sharing environment.

Yarrow, Maurice↗
NASA NTRS2010

Satellite Sampling and Retrieval Errors in Regional Monthly Rain Estimates from TMI AMSR-E, SSM/I, AMSU-B and the TRMM PR

Passive and active microwave rain sensors onboard earth-orbiting satellites estimate monthly rainfall from the instantaneous rain statistics collected during satellite overpasses. It is well known that climate-scale rain estimates from meteorological satellites incur sampling errors resulting from the process of discrete temporal sampling and statistical averaging. Sampling and retrieval errors ultimately become entangled in the estimation of the mean monthly rain rate. The sampling component of the error budget effectively introduces statistical noise into climate-scale rain estimates that obscure the error component associated with the instantaneous rain retrieval. Estimating the accuracy of the retrievals on monthly scales therefore necessitates a decomposition of the total error budget into sampling and retrieval error quantities. This paper presents results from a statistical evaluation of the sampling and retrieval errors for five different space-borne rain sensors on board nine orbiting satellites. Using an error decomposition methodology developed by one of the authors, sampling and retrieval errors were estimated at 0.25 resolution within 150 km of ground-based weather radars located at Kwajalein, Marshall Islands and Melbourne, Florida. Error and bias statistics were calculated according to the land, ocean and coast classifications of the surface terrain mask developed for the Goddard Profiling (GPROF) rain algorithm. Variations in the comparative error statistics are attributed to various factors related to differences in the swath geometry of each rain sensor, the orbital and instrument characteristics of the satellite and the regional climatology. The most significant result from this study found that each of the satellites incurred negative longterm oceanic retrieval biases of 10 to 30%.

Fisher, Brad↗
NASA NTRS2020

Tuning Neural Network Models for Improved Prediction of Boundary Layer Transition

Boundary layer transition can strongly impact flight vehicle performance as it influences surface skin friction and aerodynamic heating, making accurate transition prediction a key to designing next generation aircraft. Artificial neural networks (ANNs) have shown promise toward predicting laminar-turbulent transition based on linear stability correlations. The computational efficiency of ANNs and the substantially reduced user involvement in relation to direct computations based on the linear stability theory (LST) makes them an attractive methodology for integrating the LST based correlations in computational fluid dynamics codes. Tollmien-Schlichting (TS) waves correspond to the dominant transition mechanism in 2D or weakly 3D subsonic boundary layers, such as those encountered in general aviation applications. Improvements to neural network model accuracy in predicting the amplification rates of TS instability waves have been investigated by leveraging recent machine learning developments in conjunction with surrogate optimization techniques and via suitable augmentation of the data used to train the networks. The optimized models trained on the modified dataset reduced the average transition location errors on different airfoils at several flow conditions by 51% of the original manually-tuned network’s errors on the same flow cases. The actual transition locations were derived from the Langley Stability and Transition Analysis Code (LASTRAC).

Machine Learning↗
DOE OSTI2021

Reducing Ground-based Astrometric Errors with Gaia and Gaussian Processes

Stochastic field distortions caused by atmospheric turbulence are a fundamental limitation to the astrometric accuracy of ground-based imaging. This distortion field is measurable at the locations of stars with accurate positions provided by the Gaia DR2 catalog; we develop the use of Gaussian process regression (GPR) to interpolate the distortion field to arbitrary locations in each exposure. We introduce an extension to standard GPR techniques that exploits the knowledge that the 2D distortion field is curl-free. Applied to several hundred 90 s exposures from the Dark Energy Survey as a test bed, we find that the GPR correction reduces the variance of the turbulent astrometric distortions ≈12× , on average, with better performance in denser regions of the Gaia catalog. The rms per-coordinate distortion in the riz bands is typically ≈7 mas before any correction and ≈2 mas after application of the GPR model. The GPR astrometric corrections are validated by the observation that their use reduces, from 10 to 5 mas rms, the residuals to an orbit fit to riz-band observations over 5 yr of the r = 18.5 trans-Neptunian object Eris. We also propose a GPR method, not yet implemented, for simultaneously estimating the turbulence fields and the 5D stellar solutions in a stack of overlapping exposures, which should yield further turbulence reductions in future deep surveys.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Picometer sensitivity metrology for EUV absorber phase

With growing interest in EUV attenuated phase-shift masks due to their superior image quality for applications such as dense contact and pillar arrays, it is becoming critical to model, measure, and monitor the intensity and relative phase of multilayer and absorber reflections. We present a solution based on physical modeling of reflectometry data, which can achieve single picometer phase precision and sensitivity to changes in average film thickness below one atomic monolayer. We measure absorber and multilayer reflectivity to determine thin-film parameters with a multidimensional optimization and then acquire a new measurement of either multilayer or absorber to determine perturbations in surface contamination thickness. While it is difficult to assess the accuracy of the first step, the simplicity of the second step allows us to characterize our sensitivity to changes in contamination thickness. Thus, we apply this analysis using an initial set of measurements and repeated measurements after a period of storage. For the multilayer, the total contamination growth was 1068 pm, which occurred almost exclusively during storage (1085 pm) and decreased very slightly during repeated measurements (-17 pm). For the absorber, the behavior was quite different, with a total growth of 126 pm, which occurred much less during storage (28 pm) and primarily during repeated measurements (98 pm). Ultimately, the change in relative phase (absorber minus multilayer) was -0.86 deg for the multilayer and -1.12 deg for the absorber. We estimate the precision of the surface contamination measurement to be 3σ < 6 pm for measuring thickness and 3σ < 0.2 deg for measuring phase.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Progress on the R-matrix Analysis for the n+ 181 Ta Evaluation [Slides]

This presentation discusses how nuclear data evaluations can influence the accuracy of computational nuclear design calculations. It also discusses the motivation for a new evaluation of 181 Ta. The goals of the evaluations are to generate a set of resonance parameters in the Resolved Resonance Region (RRR) that extends up to 2.6 keV, to generate a set of average resonance parameters in the Unresolved Resonance Region (URR) up to 100 keV (derived from the RRR parameters), and to generate covariance information for both RRR and URR. The presentation discusses how several different experimental data sets will be fit simultaneously in the evaluation of 181 Ta. It states that the level density of 181 Ta can make R-matrix fitting a challenge as the width of the levels increase with energy (as well as decreasing experimental resolution) and the measured resonances can overlap. The presentation concludes by discussing R-matrix analysis and covariance information as the latter is important when propagated to quantify the uncertainty on output responses of nuclear design calculations such as the multiplication factor k .

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

CI-MBPT and Intensity-Based Lifetime Calculations for Th II

Lifetime calculations of Th II J = 1.5 and 2.5 odd states are performed with configuration–interaction many-body perturbation theory (CI-MBPT). For many J = 2.5 states, lifetimes are quite accurate, but two pairs of J = 2.5 odd states and many groups of J = 1.5 states are strongly mixed, making theoretical predictions unreliable. To solve this problem, a method based on intensities is used. To relate experimental intensities to lifetimes, two parameters, one an overall coefficient of proportionality for transition rates and one temperature of the Boltzmann distribution of populations, are introduced and fitted to minimize the deviation between theoretical and intensity-derived lifetimes. For strongly mixed groups of states, the averaged lifetimes obtained from averaged transition rates were used instead of individual lifetimes in the fit. Close agreement is obtained. Then intensity branching ratios are used to extract individual lifetimes for the strongly mixed states. The resulting lifetimes are compared to available directly measured lifetimes and reasonable agreement is found, considering limited accuracy of intensity measurements. The method of intensity-based lifetime calculations with fit to theoretical lifetimes is quite general and can be applied to many complex atoms where strong mixing between multiple states exists.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1994

An improved method of measuring tropospheric NO2, NO3, HO2, and RO2 by Matrix Isolation and Electronic Spin Resonance (MIESR)

The MIESR method consists of two steps (1) collection of the radicals present in the ambient air at 77K in a polycrystalline D2O matrix and (2) identification and quantification of the different radicals in the laboratory by Electron Spin Resonance spectroscopy. In step (1), the sampling efficiency for sampling NO2 and RO2 was determined to be greater than or equal to 95 percent, with a measured accuracy of plus or minus 5 percent. In step (2), after collection, the samples are maintained at 77 K and spectra are recorded in the laboratory using a standard 9.5 GHz ESR system (Varian E-line). About 50 individual scans of each spectrum are recorded and digitally averaged in order to improve the signal-to-noise ratio. The ESR-spectra are analyzed with a recently developed numerical procedure which was demonstrated to allow speciation of NO2, NO3, HO2, CH3C(O)O2, and the sum of the alkylperoxy radicals. The detection limit is 5ppt for HO2, RO2, and NO2 and 3ppt for NO3 due to its narrower ESR-linewidth.

Source record↗
NASA NTRS1998

Application of Pressure Sensitive Paint to Confined Flow at Mach Number 2.5

Pressure sensitive paint (PSP) is a novel technology that is being used frequently in external aerodynamics. For internal flows in narrow channels, and applications at elevated nonuniform temperatures, however, there are still unresolved problems that complicate the procedures for calibrating PSP signals. To address some of these problems, investigations were carried out in a narrow channel with supersonic flows of Mach 2.5. The first set of tests focused on the distribution of the wall pressure in the diverging section of the test channel downstream of the nozzle throat. The second set dealt with the distribution of wall static pressure due to the shock/wall interaction caused by a 25 deg. wedge in the constant Mach number part of the test section. In addition, the total temperature of the flow was varied to assess the effects of temperature on the PSP signal. Finally, contamination of the pressure field data, caused by internal reflection of the PSP signal in a narrow channel, was demonstrated. The local wall pressures were measured with static taps, and the wall pressure distributions were acquired by using PSP. The PSP results gave excellent qualitative impressions of the pressure field investigated. However, the quantitative results, specifically the accuracy of the PSP data in narrow channels, show that improvements need to be made in the calibration procedures, particularly for heated flows. In the cases investigated, the experimental error had a standard deviation of +/- 8.0% for the unheated flow, and +/- 16.0% for the heated flow, at an average pressure of 11 kpa.

Lepicovsky, J.↗
NASA NTRS1998

Improved Modeling of Finite-Rate Turbulent Combustion Processes in Research Combustors

The objective of this thesis is to further develop and test a stochastic model of turbulent combustion in recirculating flows. There is a requirement to increase the accuracy of multi-dimensional combustion predictions. As turbulence affects reaction rates, this interaction must be more accurately evaluated. In this work a more physically correct way of handling the interaction of turbulence on combustion is further developed and tested. As turbulence involves randomness, stochastic modeling is used. Averaged values such as temperature and species concentration are found by integrating the probability density function (pdf) over the range of the scalar. The model in this work does not assume the pdf type, but solves for the evolution of the pdf using the Monte Carlo solution technique. The model is further developed by including a more robust reaction solver, by using accurate thermodynamics and by more accurate transport elements. The stochastic method is used with Semi-Implicit Method for Pressure-Linked Equations. The SIMPLE method is used to solve for velocity, pressure, turbulent kinetic energy and dissipation. The pdf solver solves for temperature and species concentration. Thus, the method is partially familiar to combustor engineers. The method is compared to benchmark experimental data and baseline calculations. The baseline method was tested on isothermal flows, evaporating sprays and combusting sprays. Pdf and baseline predictions were performed for three diffusion flames and one premixed flame. The pdf method predicted lower combustion rates than the baseline method in agreement with the data, except for the premixed flame. The baseline and stochastic predictions bounded the experimental data for the premixed flame. The use of a continuous mixing model or relax to mean mixing model had little effect on the prediction of average temperature. Two grids were used in a hydrogen diffusion flame simulation. Grid density did not effect the predictions except for peak temperature and tangential velocity. The hybrid pdf method did take longer and required more memory, but has a theoretical basis to extend to many reaction steps which cannot be said of current turbulent combustion models.

VanOverbeke, Thomas J.↗
NASA NTRS1995

Towards Distributed Fluids/Controls Simulations

Computational prototyping of aircraft in nonlinear regimes will require the coupling of high-order disciplines on high performance computers. This effort investigates the coupling of the Reynolds-averaged Navier-Stokes equations with six degree-of-freedom nonlinear body dynamics and controls on distributed architectures. Towards this goal, solutions obtained on a wide-node IBM SP-2, an Ethernet-linked cluster of workstations, and a Cray C90 are compared in terms of accuracy and throughput.

Atwood, Christopher A.↗