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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Continuous thermostat setpoint monitoring and correction (Thermostat setpoint correction) v1.0

The Continuous Thermostat Setpoint Monitoring and Correction software is a set of fault detection and correction algorithms that can be implemented in thermostats with two-way OpenAPIs. It is written in the Python language. The algorithms aim to detect the most common and impactful efficiency problems associated with thermostat setpoints - overly aggressive heating or cooling setpoints, incorrect schedules/setbacks, and overly narrow deadbands. These algorithms can automatically detect faults, and implement associated corrective actions to bring the system back to a state of efficient operation. The algorithms can run remotely in the cloud, and directly implemented by connected thermostat manufacturers, or by third party service providers. The software enables a lightweight cost-effective energy management strategy for HVAC systems. The solution is specially viable for small and medium sized commercial buildings, where a full scale building automation system and fault detection and diagnostic tools are often unavailable.

Granderson, Jessica↗
DOE OSTI2017

Turbulence Measurements from Compliant Moorings. Part II: Motion Correction

Acoustic Doppler velocimeters (ADVs) are a valuable tool for making highprecision measurements of turbulence, and moorings are a convenient and ubiquitous platform for making many kinds of measurements in the ocean. However—because of concerns that mooring motion can contaminate turbulence measurements and acoustic Doppler profilers are relatively easy to deploy—ADVs are not frequently deployed from moorings. This work details a method for measuring turbulence using moored ADVs that corrects for mooring motion using measurements from inertial motion sensors. Three distinct mooring platforms were deployed in a tidal channel with inertial motion-sensor-equipped ADVs. In each case, the motion correction based on the inertial measurements dramatically reduced contamination from mooring motion. The spectra from these measurements have a shape that is consistent with other measurements in tidal channels, and have a f^(5/3) slope at high frequencies—consistent with Kolmogorov’s theory of isotropic turbulence. Motion correction also improves estimates of cross-spectra and Reynold’s stresses. Comparison of turbulence dissipation with flow speed and turbulence production indicates a bottom boundary layer production-dissipation balance during ebb and flood that is consistent with the strong tidal forcing at the site. These results indicate that inertial-motion-sensor-equipped ADVs are a valuable new tool for measuring turbulence from moorings.

Kilcher, Levi F.↗
DOE OSTI2020

Update to the Phase II Corrective Action Investigation Plan for Corrective Action Units 101 and 102, Central and Western Pahute Mesa, Nevada National Security Site, Nye County, Nevada

This report is an update to the Phase II Corrective Action Investigation Plan for Corrective Action Units 101 and 102: Central and Western Pahute Mesa, Nevada Test Site, Nye County, Nevada (NNSA/NSO, 2009) activities resulting from data collection and analysis conducted between 2009 and 2019. This report contains two sections: (1) a summary of how the new data have informed the updated approach to complete the characterization activities under the corrective action investigation (CAI), and (2) a table documenting the specific activities identified in the CAIP with a status and expected outcome of each activity (see Table A-1 in Appendix A). As stated in Sections 1.5 and 1.5.1 of the CAIP, the CAIP was conceptualized to be iterative, with continuous review and assessment of the data, data analysis, and modeling to provide a guide for decisions regarding additional work. This report provides the revised plan, based on an assessment of the data, to complete the characterization activities identified in the CAIP.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1987

A barely implicit correction for flux-corrected transport

In virtue of adding one elliptic equation that must be implicitly solved, the 'barely implicit correction' method presented removes the stringent sidestep limit imposed by sound speed in the explicit methods. The barely implicit method is presently combined with a flux-corrected transport algorithm, which has been rendered fourth-order by the appropriate subtraction of corrected fluxes, in order to accurately represent the sharp gradients in subsonic flows. The multigrid MGRID technique (DeVore, 1984) is used to efficiently solve the elliptic pressure equation.

Patnaik, G.↗
NASA NTRS2012

Multi-Angle Implementation of Atmospheric Correction for MODIS (MAIAC). Part 3: Atmospheric Correction

This paper describes the atmospheric correction (AC) component of the Multi-Angle Implementation of Atmospheric Correction algorithm (MAIAC) which introduces a new way to compute parameters of the Ross-Thick Li-Sparse (RTLS) Bi-directional reflectance distribution function (BRDF), spectral surface albedo and bidirectional reflectance factors (BRF) from satellite measurements obtained by the Moderate Resolution Imaging Spectroradiometer (MODIS). MAIAC uses a time series and spatial analysis for cloud detection, aerosol retrievals and atmospheric correction. It implements a moving window of up to 16 days of MODIS data gridded to 1 km resolution in a selected projection. The RTLS parameters are computed directly by fitting the cloud-free MODIS top of atmosphere (TOA) reflectance data stored in the processing queue. The RTLS retrieval is applied when the land surface is stable or changes slowly. In case of rapid or large magnitude change (as for instance caused by disturbance), MAIAC follows the MODIS operational BRDF/albedo algorithm and uses a scaling approach where the BRDF shape is assumed stable but its magnitude is adjusted based on the latest single measurement. To assess the stability of the surface, MAIAC features a change detection algorithm which analyzes relative change of reflectance in the Red and NIR bands during the accumulation period. To adjust for the reflectance variability with the sun-observer geometry and allow comparison among different days (view geometries), the BRFs are normalized to the fixed view geometry using the RTLS model. An empirical analysis of MODIS data suggests that the RTLS inversion remains robust when the relative change of geometry-normalized reflectance stays below 15%. This first of two papers introduces the algorithm, a second, companion paper illustrates its potential by analyzing MODIS data over a tropical rainforest and assessing errors and uncertainties of MAIAC compared to conventional MODIS products.

Lyapustin, A.↗
DOE OSTI2025

Corrective Action Decision Document/Corrective Action Plan for Corrective Action Units 101 and 102: Central and Western Pahute Mesa Nevada National Security Site, Nevada, Revision 2

This revision was prepared to document changes to the data-collection activities. Specifically, the drilling and completion of the wells have been revised, and enhancements to the surface geophysics measurements have been included. Corrective action is needed because underground radioactive contamination exists in these areas resulting from historic underground nuclear testing. The PM CAUs are located in the northwestern portion of the Nevada National Security Site and comprise 82 corrective action sites. A total of 85 underground nuclear detonations took place within the area covered by the PM CAUs between 1965 and 1992 and resulted in the release of radionuclides in the subsurface in the vicinity of the test cavities.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Correction to: No need for frame-wise attenuation correction in dynamic Rubidium-82 PET for myocardial blood flow quantification

Due to the typesetter not carrying out the author’s corrections at proof stage, there are two errors in the published article: where “mL × min × g” appears, it should be “mL/min/g”. One error is in the Figure 3 caption, and one error is in the second sentence under the heading “MBF Quantification”. The original article has been corrected.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Shrinking Self-Interaction Errors with the Fermi–Löwdin Orbital Self-Interaction-Corrected Density Functional Approximation

The self-interaction error (SIE) is one of the major drawbacks of practical exchange-correlation functionals for Kohn-Sham density functional theory. Despite this, the use of methods that explicitly remove SIE from approximate density functionals is scarce in the literature due to their relatively high computational cost and lack of consistent improvement over standard modern functionals. Here, we assess the performance of a novel approach recently proposed by Pederson, Ruzsinszky, and Perdew for performing self-interaction free calculations in density functional theory based on Fermi-orbitals. To this end, we employ test sets consisting of reaction energies that are considered particularly sensitive to SIE. We found that the parameter-free Fermi-Löwdin orbital self-interaction correction method combined with standard local spin density approximation (LSDA) and Perdew-Burke-Ernzerhof (PBE) functionals gives a much better estimate of reaction energies compared to their parent LSDA and PBE functionals for most of the reactions in these two sets. They also perform on par with the global PBE0 and range-separated LC-ωPBE hybrids, which partially eliminate the SIE by including Hartree-Fock exchange. This shows the potential of the Fermi-Löwdin orbital self-interaction corrected (FLOSIC) method for practical density functional calculations without SIE.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Uncertainties in turbulent statistics and fluxes of CO2 associated with density effect corrections

Density effect corrections (DEC) are applied to adjust raw CO2 fluxes measured by eddy covariance (EC) systems with open-path gas analyzers. DEC is also required for adjusting the measured CO2 concentration fluctuations to obtain the adjusted CO2 for analyzing turbulent statistics or quantifying fluxes. However, our data show that the power spectra of the DEC-adjusted CO2 are distorted in the high frequency range, as compared with the corresponding spectra of temperature and water vapor density. This contradicts the similarity behavior of scalars, as suggested by Monin-Obukhov similarity theory. It is demonstrated that such a distortion is caused by the DEC-induced spikes in the DEC-adjusted CO2, altering turbulent statistics of CO2 and scalar similarity between CO2 and other scalars. Our results suggest that CO2 fluxes are overestimated by applying DEC especially under high Bowen ratio conditions, potentially leading to substantial uncertainties in long-term ecosystem carbon exchange in dry regions.

Gao, Zhongming↗
DOE OSTI2021

Finite-size correction for slab supercell calculations of materials with spontaneous polarization

Abstract The repeated slab approach has become a de facto standard to accurately describe surface properties of materials by density functional theory calculations with periodic boundary conditions. For materials exhibiting spontaneous polarization, we show that the conventional scheme of passivation with pseudo hydrogen is unable to realize a charge-neutral surface. The presence of a net surface charge induces via Gauss’s law a macroscopic electric field through the slab and results in poor size convergence with respect to the thickness of the slab. We propose a modified passivation method that accounts for the effect of spontaneous polarization, describes the correct bulk limits and boosts convergence with respect to slab thickness. The robustness, reliability, and superior convergence of energetics and electronic structure achieved by the proposed method are demonstrated using the example of polar ZnO surfaces.

Chemistry↗
DOE OSTI2024

Beam correction for multi-pass arcs in FFA@CEBAF: status update

This work examines the multi-pass steering of six electron beams in an FFA arc ranging from approximately 10.5 GeV to 22 GeV. Shown here is an algorithm based on singular value decomposition (SVD) to successfully steer all six beams through the arc given precise knowledge of all beam positions at each of one hundred and one diagnostic locations with one hundred individual corrector magnets: that is successive application of SVD to different 100 × 101 response matrices—one for each beam energy. Further, a machine learning scheme is developed which only requires knowledge of the energy-averaged beam position at each location to provide equivalent steering. Extension of this scheme to other beam optics quantities as well as transverse and longitudinal coupling is explored.

Accelerator Physics↗
DOE OSTI2021

Corrective Action Decision Document/Corrective Action Plan for Corrective Action Unit 577: Area 5 Chromium Containing Waste Disposal Cells, Nevada National Security Site, Nevada

This Corrective Action Decision Document/Corrective Action Plan (CADD/CAP) is for Corrective Action Unit (CAU) 577, “Area 5 Chromium Containing Waste Disposal Cells,” which is located in Area 5 of the Nevada National Security Site (NNSS). CAU 577 includes five low-level waste cells at the Area 5 Radioactive Waste Management Site (RWMS) where buried waste received from Nuclear Fuel Services, Inc. (NFS), was subsequently determined to contain chromium that exceeded the Toxicity Characteristic Leaching Procedure regulatory limit, which would require the waste to carry hazardous waste code D007. To resolve issues related to this alleged violation of hazardous waste regulations, a Settlement Agreement was executed between the Nevada Division of Environmental Protection (NDEP) and the U.S. Department of Energy, National Nuclear Security Administration Nevada Field Office on April 25, 2019, which identified agreed-upon mitigation measures. The Settlement Agreement required that the chromium-containing waste received from NFS would be addressed following the closure process laid out in the Federal Facility Agreement and Consent Order (FFACO).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Addendum to: Corrective Action Decision Document/Corrective Action Plan (CADD/CAP) for the Subsurface Corrective Action Unit 447 Shoal, Nevada, Site

This document is an addendum to the original CADD/CAP. It includes the summaries of the corrective action activities, numeral model validation results, enhancements made to the monitoring program and monitoring network as implemented through three short-term data acquisition plans and updates made to SCMs since CADD/CAP approval in 2006.The document begins at Section 5.6 as a continuation of the "Implementation of the Corrective Action Plan" of the CADD/CAP. Table and figure numbers are in a sequence with the CADD/CAP.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1984

Shear-layer correction after Amiet under consideration of additional temperature gradient. Working diagrams for correction of signals

Amiet's correction scheme for sound wave transmission through shear-layers is extended to incorporate the additional effects of different temperatures in the flow-field in the surrounding medium at rest. Within a parameter-regime typical for acoustic measurements in wind tunnels amplitude- and angle-correction is calculated and plotted systematically to provide a data base for the test engineer.

Dobrzynski, W.↗
DOE OSTI2017

Error correction in multi-fidelity molecular dynamics simulations using functional uncertainty quantification

We use functional, Fréchet, derivatives to quantify how thermodynamic outputs of a molecular dynamics (MD) simulation depend on the potential used to compute atomic interactions. Our approach quantifies the sensitivity of the quantities of interest with respect to the input functions as opposed to its parameters as is done in typical uncertainty quantification methods. We show that the functional sensitivity of the average potential energy and pressure in isothermal, isochoric MD simulations using Lennard–Jones two-body interactions can be used to accurately predict those properties for other interatomic potentials (with different functional forms) without re-running the simulations. This is demonstrated under three different thermodynamic conditions, namely a crystal at room temperature, a liquid at ambient pressure, and a high pressure liquid. The method provides accurate predictions as long as the change in potential can be reasonably described to first order and does not significantly affect the region in phase space explored by the simulation. The functional uncertainty quantification approach can be used to estimate the uncertainties associated with constitutive models used in the simulation and to correct predictions if a more accurate representation becomes available.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Examination of How Well Long-Range-Corrected Density Functionals Satisfy the Ionization Energy Theorem

For this work, we calculated the vertical ionization energies (VIE) of 99 species in two ways to examine the accuracy of several long-range-corrected (LC) hybrid meta functionals in comparison with a gradient approximation (GA), global hybrids, and doubly hybrids. In the category of LC functionals, we examined both those with meta ingredients (i.e., that depend on the kinetic energy density) and those without them. The LC-hybrid meta functionals examined are M11, revM11, M11plus, and ωB97M-V. The reference data used to assess accuracy consist of 95 molecules and 4 atoms in the GW100 set. The two methods studied are the ΔSCF method (involving the difference of neutral and cation self-consistent field (SCF) energies) and the ionization energy theorem (involving the orbital energy of the highest occupied molecular orbital, HOMO). We calculated linear correlation coefficients (r 2 ) and mean absolute deviations (MADs) between each approach and the reference VIE value from the CCSD(T)/def2-TZVPP level of theory. We compared the new LC-hybrid meta calculations to calculations with the 10 functionals in a previous VIE study by Brémond et al. and to the calculations with LC-BLYP (LC-Becke, Lee–Yang–Parr), CAM-B3LYP (Coulomb-attenuating-method Becke-3-parameter Lee–Yang–Parr), LC-ωHPBE, and ωB97X-D. The results show that Minnesota LC-hybrid meta functionals have the smallest mean absolute deviation of ionization energy theorem VIEs with the reference data; the LC-ωHPBE functional also does quite well in this test. This is very encouraging and indicates that LC-hybrid meta functionals would be the best starting points for the tuning strategy that has been shown to be a very good procedure for improving time-dependent density functional calculations, and it also helps explain the good success of LC-hybrid meta functionals for molecular excitation energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗