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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Two-stage formation-energy correction (NbZr, TaZr, VZr)

This bundle contains the scripts, the raw and corrected per-structure data, and the manuscript plots for the NbZr / TaZr / VZr BCC binary formation energies and the associated RMSDs. Why a two-stage correction is necessary: The "raw" formation energy of every relaxed VASP configuration is computed in the usual way, FE_raw(c) = E_alloy(c) - sum_i x_i * E_pure_i , where E_pure_i are the per-atom total energies of the pure-element reference structures (Nb, Ta, V, Zr in the same BCC supercell, with identical INCAR / KPOINTS / PAW choices). With perfectly consistent reference runs the raw FE should vanish at the two pure-element endpoints (x = 0 and x = 1) by construction. In practice this does not hold for two reasons that are present in our dataset: 1. Reference-energy inconsistency (composition-dependent bias). Even with identical input parameters, the pure-element runs (stored in `corrected_DFT_pure_element_runs/`) differ slightly from the values that would be implied by the alloy runs at near-pure compositions (a few meV/atom). This bias is approximately linear in concentration, because the residual error in E_pure_Nb (or E_pure_Ta / E_pure_V) propagates into FE_raw(c) as (1 - x) * dE_pure_1, and the corresponding error in E_pure_Zr propagates as x * dE_pure_2. Left uncorrected, this produces a non-physical "tilt" of FE_raw(x) and shifts the entire FE-vs-x cloud away from zero at the endpoints. 2. Endpoint anchoring against the audited true endpoints. The strict endpoint values (FE_x0_meVatom, FE_x1_meVatom in `corrected_fe_strict_endpoints_20260518/strict_endpoint_check_20260518.csv`) were re-derived from an independent cross-check of the pure-element runs. After stage 1 removes the linear bias, the near-pure compositions in the alloy dataset still extrapolate to values that differ slightly from these audited endpoints — because stage 1 is fit from a few near-end alloy bins, not from the audited pure-element references themselves. The README.txt file discusses how these issues are addressed by the two-stage correction, and describes folder layout, pipeline summary, and how to re-run.

36 MATERIALS SCIENCE↗
DOE OSTI2024

SIMS Data Correction Procedure for Quasi‐Simultaneous Arrival ( QSA ) Under‐counting and Ramifications of Misapplication

Isotope geochemistry requires isotope ratios measured using secondary ion mass spectrometry (SIMS) to be made with optimal precision and accuracy. Under some analytical conditions when using electron multiplier detectors, secondary ions may be under‐counted because of quasi‐simultaneous arrival (QSA) at the first dynode. The relative magnitude of the associated QSA correction to raw measured isotopic ratios can be up to seventy permil or more. Therefore, not applying the correction, or misapplication of it could lead to significant inaccuracies in published isotope ratio data. Examples and ramifications of the latter are described in addition to a straightforward procedure for QSA under‐counting correction.

Geochemistry & Geophysics↗
NASA NTRS2023

Atmospheric Correction Inter-comparison eXercise, ACIX-II Land: An Assessment of Amospheric Correction Processors for Landsat 8 and Sentinel-2 Over Land

The correction of the atmospheric effects on optical satellite images is essential for quantitative and multi-temporal remote sensing applications. In order to study the performance of the state-of-the-art methods in an integrated way, a voluntary and open-access benchmark Atmospheric Correction Inter-comparison eXercise (ACIX) was initiated in 2016 in the frame of Committee on Earth Observation Satellites (CEOS) Working Group on Calibration & Validation (WGCV). The first exercise was extended in a second edition wherein twelve atmospheric correction (AC) processors, a substantially larger testing dataset and additional validation metrics were involved. The sites for the inter-comparison analysis were defined by investigating the full catalogue of the Aerosol Robotic Network (AERONET) sites for coincident measurements with satellites' overpass. Although there were more than one hundred sites for Copernicus Sentinel-2 and Landsat 8 acquisitions, the analysis presented in this paper concerns only the common matchups amongst all processors, reducing the number to 79 and 62 sites respectively. Aerosol Optical Depth (AOD) and Water Vapour (WV) retrievals were consequently validated based on the available AERONET observations. The processors mostly succeeded in retrieving AOD for relatively light to medium aerosol loading (AOD < 0.2) with uncertainties <0.08, while the overall uncertainty values were typically 0.23 ± 0.15. Better performances were observed for WV retrievals with >90% of the results falling within the suggested empirical specifications and with the Root Mean Square Error (RMSE) being mostly <0.25 g/cm2. Regarding Surface Reflectance (SR) validation two main approaches were followed. For the first one, a simulated SR reference dataset was computed over all of the test sites by using the 6SV (Second Simulation of the Satellite Signal in the Solar Spectrum vector code) full radiative transfer modelling (RTM) and AERONET measurements for the required aerosol variables and water vapour content. The performance assessment demonstrated that the retrievals were not biased for most of the bands. The uncertainties ranged from approximately 0.003 to 0.01 (excluding B01) for the best performing processors in both sensors' analyses. For the second one, measurements from the radiometric calibration network RadCalNet over La Crau (France) and Gobabeb (Namibia) were involved in the validation. The performance of the processors was in general consistent across all bands for both sensors and with low standard deviations (<0.04) between on-site and estimated surface reflectance. Overall, our study provides a good insight of AC algorithms' performance to developers and users, pointing out similarities and differences for AOD, WV and SR retrievals. Such validation though still lacks of ground-based measurements of known uncertainty to better assess and characterize the uncertainties in SR retrievals.

Atmospheric correction↗
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↗
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 OSTI2025

Validation of 3D cryoEM single-particle reconstruction correctness and handedness with Ewald's sphere correction

The correct description of quantum scattering places the observed scattering contributions on the Ewald's sphere and its Friedel mate copy. In electron microscopy, due to the large radius of the Ewald's sphere, these scattering contributions are typically merged during data analysis. We present an approach that separates and factorizes those contributions into real and imaginary components of the image. When an inverted solution is calculated, the map derived from the real component of the image generates an inverted solution, while the map derived from the imaginary component of the image generates an inverted and sign-flipped solution. Therefore, the sign of correlation between reconstructions derived from the real and imaginary components provides the automatic determination of handedness and additional validation for the quality of 3D reconstructions. The factorization and its implementation are robust enough to be routinely used in single-particle reconstructions, even at resolutions below the limit where the curvature of the Ewald's sphere affects the overall signal-to-noise ratio.

Chemistry↗
NASA NTRS1980

MRS proof-of-concept on atmospheric corrections. Atmospheric corrections using an orbital pointable imaging system

The feasibility of using a pointable imager to determine atmospheric parameters was studied. In particular the determination of the atmospheric extinction coefficient and the path radiance, the two quantities that have to be known in order to correct spectral signatures for atmospheric effects, was simulated. The study included the consideration of the geometry of ground irradiance and observation conditions for a pointable imager in a LANDSAT orbit as a function of time of year. A simulation study was conducted on the sensitivity of scene classification accuracy to changes in atmospheric condition. A two wavelength and a nonlinear regression method for determining the required atmospheric parameters were investigated. The results indicate the feasibility of using a pointable imaging system (1) for the determination of the atmospheric parameters required to improve classification accuracies in urban-rural transition zones and to apply in studies of bi-directional reflectance distribution function data and polarization effects; and (2) for the determination of the spectral reflectances of ground features.

Slater, P. N.↗
NASA NTRS1994

Tropospheric corrections to GPS measurements using locally measured meteorological parameters compared with general tropospheric corrections

At the Technical University Graz (TUG), Austria, the Global Positioning System (GPS) has been used for time transfer purposes since the early 80's and from that time on local meteorological parameters have been recorded together with each measurement (satellite track). The paper compares the tropospheric corrections (delays) obtained from models usually employed in GPS receivers and those using locally measured meteorological parameters.

Kirchner, D.↗