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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

A new method for point-spread function correction using the ellipticity of re-smeared artificial images in weak gravitational lensing shear analysis

Highly accurate weak lensing analysis is urgently required for planned cosmic shear observations. For this purpose we have eliminated various systematic noises in the measurement. The point-spread function (PSF) effect is one of them. A perturbative approach for correcting the PSF effect on the observed image ellipticities has been previously employed. Here we propose a new non-perturbative approach for PSF correction that avoids the systematic error associated with the perturbative approach. The new method uses an artificial image for measuring shear which has the same ellipticity as the lensed image. This is done by re-smearing the observed galaxy images and observed star images (PSF) with an additional smearing function to obtain the original lensed galaxy images. We tested the new method with simple simulated objects that have Gaussian or Sérsic profiles smeared by a Gaussian PSF with sufficiently large size to neglect pixelization. Under the condition of no pixel noise, it is confirmed that the new method has no systematic error even if the PSF is large and has a high ellipticity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Single-Point Extrapolation to the Complete Basis Set Limit through Deep Learning

Machine learning (ML) offers an attractive method for making predictions about molecular systems while circumventing the need to run expensive electronic structure calculations. Once trained on ab initio data, the promise of ML is to deliver accurate predictions of molecular properties that were previously computationally infeasible. In this work, we develop and train a graph neural network model to correct the basis set incompleteness error (BSIE) between a small and large basis set at the RHF and B3LYP levels of theory. Our results show that, when compared to fitting to the total potential, an ML model fitted to correct the BSIE is better at generalizing to systems not seen during training. We test this ability by training on single molecules while evaluating on molecular complexes. We also show that ensemble models yield better behaved potentials in situations where the training data is insufficient. However, even when only fitting to the BSIE, acceptable performance is only achieved when the training data sufficiently resemble the systems one wants to make predictions on. As a result, the test error of the final model trained to predict the difference between the cc-pVDZ and cc-pV5Z potential is 0.184 kcal/mol for the B3LYP density functional, and the ensemble model accurately reproduces the large basis set interaction energy curves on the S66x8 dataset.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Analyzing rotational bands in odd-mass nuclei using effective field theory and Bayesian methods

We recently developed an Effective Field Theory (EFT) for rotational bands in odd-mass nuclei. Here we use EFT expressions to perform a Bayesian analysis of data on the rotational energy levels of 99 Tc, 155,157 Gd, 159 Dy, 167,169 Er, 167,169 Tm, 183 W, 235 U and 239 Pu. The error model in our Bayesian analysis includes both experimental and EFT truncation uncertainties. It also accounts for the fact that low-energy constants (LECs) at even and odd orders are expected to have different sizes. We use Markov Chain Monte Carlo (MCMC) sampling to explore the joint posterior of the EFT and error-model parameters and show both the LECs and the breakdown scale can be reliably determined. We extract the LECs up to fourth order in the EFT and find that, provided we correctly account for EFT truncation errors in our likelihood, results for lower-order LECs are stable as we go to higher orders. LEC results are also stable with respect to the addition of higher-energy data. We extract the expansion parameter for all the nuclei listed above and find a clear correlation between the extracted and the expected value of the inverse breakdown scale, W, based on the single-particle and vibrational energy scales. However, the W that actually determines the convergence of the EFT expansion is markedly smaller than would be naively expected based on those scales.

EFT↗
DOE OSTI2018

InSAR Time Series Analysis of L-Band Wide-Swath SAR Data Acquired by ALOS-2

We present that operating at L-band (24 cm wavelength) in wide-swath modes is one of the characteristics of the new and next generation satellite synthetic aperture radar (SAR) missions. After 3 years of operation, the Japan Aerospace Exploration Agency Advanced Land Observing Satellite-2 (ALOS-2) satellite has acquired a wealth of L-band wide-swath SAR data over many areas using its ScanSAR mode. We present interferometry SAR (InSAR) time series analysis results from ALOS-2 ScanSAR data. We analyze the possible error sources in the InSAR and correct them if possible. We present different time series analysis results including azimuth frequency modulation rate error, line of sight (LOS) ionospheric phase, azimuth shift caused by the ionosphere, and LOS displacement processed using both full-aperture and burst-by -burst workflows. The final InSAR LOS displacement time series result reveals both large-scale tectonic and small-scale anthropogenic deformation components. In conclusion, the results demonstrate the potential for measuring continental or even global-scale tectonic deformation and illustrate the promise of upcoming L-band wide-swath SAR missions, such as the NASA-ISRO SAR mission.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

A sixth order Mehrstellen scheme with an application to the Method of Local Corrections for the 3D Poisson equation

We present a sixth order finite difference scheme for Poisson’s equation when discretized with the compact 27-point stencil based on Mehrstellen corrections of the forcing function term f. Our approach results in a sixth order accurate solution error as opposed to a fourth-order error imposed by the classical Mehrstellen correction for the 19-point and 27-point stencils. The present study is a continuation of former work of Spotz and Carey (1996) on compact finite difference schemes for Poisson’s equation where sixth order convergence may be obtained under the assumption that the fourth order derivatives of f are determined analytically. Specifically, we show that sixth order convergence can still be attained when only values of f at grid points are available. The sixth order Mehrstellen scheme is further coupled with a Method of Local Corrections (MLC) 3D Poisson solver improving to sixth order accuracy the results reported in Kavouklis and Colella (2019). The MLC test case considered involves an adaptive grid that comprises 7.5 billion cells.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Improving Lidar Turbulence Estimates for Wind Energy

Remote sensing devices (e.g., lidars) are quickly becoming a cost-effective and reliable alternative to meteorological towers for wind energy applications. Although lidars can measure mean wind speeds accurately, these devices measure different values of turbulence intensity (TI) than an instrument on a tower. In response to these issues, a lidar TI error reduction model was recently developed for commercially available lidars. The TI error model first applies physics-based corrections to the lidar measurements, then uses machine-learning techniques to further reduce errors in lidar TI estimates. The model was tested at two sites in the Southern Plains where vertically profiling lidars were collocated with meteorological towers. This presentation primarily focuses on the physics-based corrections, which include corrections for instrument noise, volume averaging, and variance contamination. As different factors affect TI under different stability conditions, the combination of physical corrections applied in L-TERRA changes depending on the atmospheric stability during each 10-minute time period. This stability-dependent version of L-TERRA performed well at both sites, reducing TI error and bringing lidar TI estimates closer to estimates from instruments on towers. However, there is still scatter evident in the lidar TI estimates, indicating that there are physics that are not being captured in the current version of L-TERRA. Two options are discussed for modeling the remainder of the TI error physics in L-TERRA: machine learning and lidar simulations. Lidar simulations appear to be a better approach, as they can help improve understanding of atmospheric effects on TI error and do not require a large training data set.

17 WIND ENERGY↗
DOE OSTI2013

MEASURING X-RAY VARIABILITY IN FAINT/SPARSELY SAMPLED ACTIVE GALACTIC NUCLEI

We study the statistical properties of the normalized excess variance of variability process characterized by a ''red-noise'' power spectral density (PSD), as in the case of active galactic nuclei (AGNs). We perform Monte Carlo simulations of light curves, assuming both a continuous and a sparse sampling pattern and various signal-to-noise ratios (S/Ns). We show that the normalized excess variance is a biased estimate of the variance even in the case of continuously sampled light curves. The bias depends on the PSD slope and on the sampling pattern, but not on the S/N. We provide a simple formula to account for the bias, which yields unbiased estimates with an accuracy better than 15%. We show that the normalized excess variance estimates based on single light curves (especially for sparse sampling and S/N < 3) are highly uncertain (even if corrected for bias) and we propose instead the use of an ''ensemble estimate'', based on multiple light curves of the same object, or on the use of light curves of many objects. These estimates have symmetric distributions, known errors, and can also be corrected for biases. We use our results to estimate the ability to measure the intrinsic source variability in current data, and show that they could also be useful in the planning of the observing strategy of future surveys such as those provided by X-ray missions studying distant and/or faint AGN populations and, more in general, in the estimation of the variability amplitude of sources that will result from future surveys such as Pan-STARRS and LSST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Towards First Principles-Based Prediction of Highly Accurate Electrochemical Pourbaix Diagrams

Electrochemical potential/pH (Pourbaix) diagrams underpin many aqueous electrochemical processes and are central to the identification of stable phases of metals for processes ranging from electrocatalysis to corrosion. Even though standard DFT calculations are potentially powerful tools for the prediction of such diagrams, inherent errors in the description of transition metal (hydroxy)oxides, together with neglect of van der Waals interactions, have limited the reliability of such predictions for even the simplest pure metal bulk compounds, and corresponding predictions for more complex alloy or surface structures are even more challenging. In the present work, through synergistic use of a Hubbard U correction, a state-of-the-art dispersion correction, and a water-based bulk reference state for the calculations, these errors are systematically corrected. The approach describes the weak binding that occurs between hydroxyl-containing functional groups in certain compounds in Pourbaix diagrams, corrects for self-interaction errors in transition metal compounds, and reduces residual errors on oxygen atoms by preserving a consistent oxidation state between the reference state, water, and the relevant bulk phases. The strong performance is illustrated on a series of bulk transition metal (Mn, Fe, Co and Ni) hydroxides, oxyhydroxides, binary, and ternary oxides, where the corresponding thermodynamics of redox and (de)hydration are described with standard errors of 0.04 eV per (reaction) formula unit. The approach further preserves accurate descriptions of the overall thermodynamics of electrochemically-relevant bulk reactions, such as water formation, which is an essential condition for facilitating accurate analysis of reaction energies for electrochemical processes on surfaces. The overall generality and transferability of the scheme suggests that it may find useful application in the construction of a broad array of electrochemical phase diagrams, including both bulk Pourbaix diagrams and surface phase diagrams of interest for corrosion and electrocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

CT, MR, and ultrasound image artifacts from prostate brachytherapy seed implants: The impact of seed size

Purpose: To investigate the effects of brachytherapy seed size on the quality of x-ray computed tomography (CT), ultrasound (US), and magnetic resonance (MR) images and seed localization through comparison of the 6711 and 9011 {sup 125}I sources. Methods: For CT images, an acrylic phantom mimicking a clinical implantation plan and embedded with low contrast regions of interest (ROIs) was designed for both the 0.774 mm diameter 6711 (standard) and the 0.508 mm diameter 9011 (thin) seed models (Oncura, Inc., and GE Healthcare, Arlington Heights, IL). Image quality metrics were assessed using the standard deviation of ROIs between the seeds and the contrast to noise ratio (CNR) within the low contrast ROIs. For US images, water phantoms with both single and multiseed arrangements were constructed for both seed sizes. For MR images, both seeds were implanted into a porcine gel and imaged with pelvic imaging protocols. The standard deviation of ROIs and CNR values were used as metrics of artifact quantification. Seed localization within the CT images was assessed using the automated seed finder in a commercial brachytherapy treatment planning system. The number of erroneous seed placements and the average and maximum error in seed placements were recorded as metrics of the localization accuracy. Results: With the thin seeds, CT image noise was reduced from 48.5 {+-} 0.2 to 32.0 {+-} 0.2 HU and CNR improved by a median value of 74% when compared with the standard seeds. Ultrasound image noise was measured at 50.3 {+-} 17.1 dB for the thin seed images and 50.0 {+-} 19.8 dB for the standard seed images, and artifacts directly behind the seeds were smaller and less prominent with the thin seed model. For MR images, CNR of the standard seeds reduced on average 17% when using the thin seeds for all different imaging sequences and seed orientations, but these differences are not appreciable. Automated seed localization required an average ({+-}SD) of 7.0 {+-} 3.5 manual corrections in seed positions for the thin seed scans and 3.0 {+-} 1.2 manual corrections in seed positions for the standard seed scans. The average error in seed placement was 1.2 mm for both seed types and the maximum error in seed placement was 2.1 mm for the thin seed scans and 1.8 mm for the standard seed scans. Conclusions: The 9011 thin seeds yielded significantly improved image quality for CT and US images but no significant differences in MR image quality.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

EWPD in the SMEFT to dimension eight

We calculate the O H † H 2 / Λ 4 corrections to LEP electroweak precision data using the geometric formulation of the Standard Model Effective Field Theory (SMEFT). We report our results in simple-to-use interpolation tables that allow the interpretation of this data set to dimension eight for the first time. We demonstrate the impact of these previously unknown terms in the case of a general analysis in the SMEFT, and also in the cases of two distinct models matched to dimension eight. Neglecting such dimension-eight corrections to LEP observables introduces a theoretical error in SMEFT studies. We report some preliminary studies defining such a theory error, explicitly demonstrating the effect of previously unknown dimension-eight SMEFT corrections on LEP observables.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Impact of spurious shear on cosmological parameter estimates from weak lensing observables

We research, residual errors in shear measurements, after corrections for instrument systematics and atmospheric effects, can impact cosmological parameters derived from weak lensing observations. Here we combine convergence maps from our suite of ray-tracing simulations with random realizations of spurious shear. This allows us to quantify the errors and biases of the triplet (Ω m ,w,σ 8 ) derived from the power spectrum (PS), as well as from three different sets of non-Gaussian statistics of the lensing convergence field: Minkowski functionals (MFs), low-order moments (LMs), and peak counts (PKs). Our main results are as follows: (i) We find an order of magnitude smaller biases from the PS than in previous work. (ii) The PS and LM yield biases much smaller than the morphological statistics (MF, PK). (iii) For strictly Gaussian spurious shear with integrated amplitude as low as its current estimate of σ sys 2 ≈ 10 -7 , biases from the PS and LM would be unimportant even for a survey with the statistical power of Large Synoptic Survey Telescope. However, we find that for surveys larger than ≈ 100 deg 2 , non-Gaussianity in the noise (not included in our analysis) will likely be important and must be quantified to assess the biases. (iv) The morphological statistics (MF, PK) introduce important biases even for Gaussian noise, which must be corrected in large surveys. The biases are in different directions in (Ωm,w,σ8) parameter space, allowing self-calibration by combining multiple statistics. Our results warrant follow-up studies with more extensive lensing simulations and more accurate spurious shear estimates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Virtual sensors for robust on-line monitoring (OLM) and Diagnostics

Unscheduled shutdown of nuclear power facilities for recalibration and replacement of faulty sensors can be expensive and disruptive to grid management. In this work, we present virtual (software) sensors that can replace a faulty physical sensor for a short duration thus allowing recalibration to be safely deferred to a later time. The virtual sensor model uses a Gaussian process model to process input data from redundant and other nearby sensors. Predicted data includes uncertainty bounds including spatial association uncertainty and measurement noise and error. Using data from an instrumented cooling water flow loop testbed, the virtual sensor model has predicted correct sensor measurements and the associated error corresponding to a faulty sensor.

Analytical study↗
DOE OSTI2014

Guide to Using the WIND Toolkit Validation Code

In response to the U.S. Department of Energy's goal of using 20% wind energy by 2030, the Wind Integration National Dataset (WIND) Toolkit was created to provide information on wind speed, wind direction, temperature, surface air pressure, and air density on more than 126,000 locations across the United States from 2007 to 2013. The numerical weather prediction model output, gridded at 2-km and at a 5-minute resolution, was further converted to detail the wind power production time series of existing and potential wind facility sites. For users of the dataset it is important that the information presented in the WIND Toolkit is accurate and that errors are known, as then corrective steps can be taken. Therefore, we provide validation code written in R that will be made public to provide users with tools to validate data of their own locations. Validation is based on statistical analyses of wind speed, using error metrics such as bias, root-mean-square error, centered root-mean-square error, mean absolute error, and percent error. Plots of diurnal cycles, annual cycles, wind roses, histograms of wind speed, and quantile-quantile plots are created to visualize how well observational data compares to model data. Ideally, validation will confirm beneficial locations to utilize wind energy and encourage regional wind integration studies using the WIND Toolkit.

17 WIND ENERGY↗
DOE OSTI2017

Assessing the accuracy of microwave radiometers and radio acoustic sounding systems for wind energy applications

To assess current remote-sensing capabilities for wind energy applications, a remote-sensing system evaluation study, called XPIA (eXperimental Planetary boundary layer Instrument Assessment), was held in the spring of 2015 at NOAA's Boulder Atmospheric Observatory (BAO) facility. Several remote-sensing platforms were evaluated to determine their suitability for the verification and validation processes used to test the accuracy of numerical weather prediction models. The evaluation of these platforms was performed with respect to well-defined reference systems: the BAO's 300 m tower equipped at six levels (50, 100, 150, 200, 250, and 300 m) with 12 sonic anemometers and six temperature ( T ) and relative humidity (RH) sensors; and approximately 60 radiosonde launches. In this study we first employ these reference measurements to validate temperature profiles retrieved by two co-located microwave radiometers (MWRs) as well as virtual temperature ( T v ) measured by co-located wind profiling radars equipped with radio acoustic sounding systems (RASSs). Results indicate a mean absolute error (MAE) in the temperature retrieved by the microwave radiometers below 1.5 K in the lowest 5?km of the atmosphere and a mean absolute error in the virtual temperature measured by the radio acoustic sounding systems below 0.8 K in the layer of the atmosphere covered by these measurements (up to approximately 1.6-2 km). We also investigated the benefit of the vertical velocity correction applied to the speed of sound before computing the virtual temperature by the radio acoustic sounding systems. We find that using this correction frequently increases the RASS error, and that it should not be routinely applied to all data. Water vapor density (WVD) profiles measured by the MWRs were also compared with similar measurements from the soundings, showing the capability of MWRs to follow the vertical profile measured by the sounding and finding a mean absolute error below 0.5 g m -3 in the lowest 5 km of the atmosphere. However, the relative humidity profiles measured by the microwave radiometer lack the high-resolution details available from radiosonde profiles. Furthermore, an encouraging and significant finding of this study was that the coefficient of determination between the lapse rate measured by the microwave radiometer and the tower measurements over the tower levels between 50 and 300 m ranged from 0.76 to 0.91, proving that these remote-sensing instruments can provide accurate information on atmospheric stability conditions in the lower boundary layer.

17 WIND ENERGY↗
DOE OSTI2023

Isospin-breaking corrections to light-meson leptonic decays from lattice simulations at physical quark masses

The decreasing uncertainties in theoretical predictions and experimental measurements of several hadronic observables related to weak processes, which in many cases are now smaller than O(1%), require theoretical calculations to include subleading corrections that were neglected so far. Precise determinations of leptonic and semi-leptonic decay rates, including QED and strong isospin-breaking effects, can play a central role in solving the current tensions in the first-row unitarity of the CKM matrix. In this work we present the first RBC/UKQCD lattice calculation of the isospin-breaking corrections to the ratio of leptonic decay rates of kaons and pions into muons and neutrinos. The calculation is performed at fixed lattice spacing (a –1 ≃ 1.730 GeV) on a 48 3 × 96 volume with N f = 2 + 1 dynamical quarks close to the physical point and domain wall fermions in the Möbius formulation are employed. Long-distance QED interactions are included according to the QED L prescription and the crucial role of finite-volume electromagnetic corrections in the determination of leptonic decay rates, which produce a large systematic uncertainty, is extensively discussed. Finally, we study the different sources of uncertainty on |V us |/|V ud | and observe that, if finite-volume systematics can be reduced, the error from isospin-breaking corrections is potentially sub-dominant in the final precision of the ratio of the CKM matrix elements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Improving the MJO Forecast of S2S Operation Models by Correcting Their Biases in Linear Dynamics

The operational dynamic subseasonal to seasonal (S2S) models for Madden-Julian oscillation (MJO) forecasting mostly still suffer from systematic errors in capturing the MJO's key dynamic features, such as its growth rate and propagation speed. By deriving the linear dynamic operators using the linear inverse modeling (LIM) approach, we propose a method to partly correct the errors in MJO linear dynamic operators to improve the MJO predictions of three operational dynamic S2S models. Correcting the deficiencies of the too-fast decay rates and the unrealistic propagating phase speeds lead to MJO prediction skills being extended by approximately 2–4 days. The improvements are more significant for the models with larger biases in MJO amplitude and propagation. This approach in principle may be extendable to predictions of other types of climate variability such as ENSO on one hand, and possible inclusions of nonlinear dynamics effects on the other hand.

58 GEOSCIENCES↗
DOE OSTI2018

Correction Scheme for Comparison of Computed and Experimental Optical Transition Energies in Functionalized Single-Walled Carbon Nanotubes

We present that covalent functionalization of single-walled carbon nanotubes (SWCNTs) introduces red-shifted emission features in the near-infrared spectral range due to exciton localization around the defect site. Such chemical modifications increase their potential use as near-infrared emitters and single-photon sources in telecommunications applications. Density functional theory (DFT) studies using finite-length tube models have been used to calculate their optical transition energies. Predicted energies are typically blue-shifted compared to experiment due to methodology errors including imprecise self-interaction corrections in the density functional and finite-size basis sets. Furthermore, artificial quantum confinement in finite models cannot be corrected by a constant-energy shift since they depend on the degree of exciton localization. Herein, we present a method that corrects the emission energies predicted by time-dependent DFT. Confinement and methodology errors are separately estimated using experimental data for unmodified tubes. Finally, corrected emission energies are in remarkable agreement with experiment, suggesting the value of this straightforward method toward predicting and interpreting the optical features of functionalized SWCNTs.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Virtual sensors for robust on-line monitoring (OLM) and diagnostics - 197

Unscheduled shutdown of nuclear power facilities for recalibration and replacement of faulty sensors can be expensive and disruptive to grid management. In this work, we present virtual (software) sensors that can replace a faulty physical sensor for a short duration thus allowing recalibration to be safely deferred to a later time. The virtual sensor model uses a Gaussian process model to process input data from redundant and other nearby sensors. Predicted data includes uncertainty bounds including spatial association uncertainty and measurement noise and error. Using data from an instrumented cooling water flow loop test bed, the virtual sensor model has predicted correct sensor measurements and the associated error corresponding to a faulty sensor. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗