Search NASA⌕ Search

SEARCH · Search NASA

Results for “error correction.”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Nuclear spin/parity dependent spectroscopy and predissociation dynamics in v OH = 2 ← 0 overtone excited Ne–H 2 O clusters: Theory and experiment

Vibrationally state selective overtone spectroscopy and state- and nuclear spin-dependent predissociation dynamics of weakly bound ortho- and para-Ne–H 2 O complexes (D 0(ortho) = 34.66 cm -1 and D 0(para) = 31.67 cm -1 ) are reported, based on near-infrared excitation of van der Waals cluster bands correlating with v OH = 2 ← 0 overtone transitions (|02 - ⟩ and |02 + ⟩) out of the ortho (101) and para (000) internal rotor states of the H 2 O moiety. Quantum theoretical calculations for nuclear motion on a high level potential energy surface [CCSD(T)/VnZf12 (n = 3, 4)], corrected for basis set superposition error and extrapolated to the complete basis set (CBS) limit, are employed to successfully predict and assign Π–Σ, Σ–Σ, and Σ–Π infrared bands in the spectra, where Σ or Π represent approximate projections of the body-fixed H 2 O angular momentum along the Ne–H 2 O internuclear axis. IR-UV pump-probe experimental capabilities permit real-time measurements of the vibrational predissociation dynamics, which indicate facile intramolecular vibrational energy transfer from the H 2 O v OH = 2 overtone vibrations into the VdWs (van der Waals) dissociation coordinate on the τprediss = 15-25 ns time scale. Whereas all predicted strong transitions in the ortho-Ne–H 2 O complexes are readily detected and assigned, vibrationally mediated photolysis spectra for the corresponding para-Ne–H 2 O bands are surprisingly absent despite ab initio predictions of Q-branch intensities with S/N > 20-40. Such behavior signals the presence of highly selective nuclear spin ortho-para predissociation dynamics in the upper state, for which we offer a simple mechanism based on Ne-atom mediated intramolecular vibrational relaxation in the H 2 O subunit (i.e., |02 ± ⟩ → {|01 ± ⟩ v 2 = 2}), which is confirmed by the ab initio energy level predictions and the nascent OH rotational (N), spin orbit (Π 1/2,3/2 ), and lambda doublet product distributions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Gate fidelity and coherence of an electron spin in an Si/SiGe quantum dot with micromagnet

Significance A quantum computer is able to solve certain problems that cannot be solved by a classical computer within a reasonable time. The building block of a quantum computer is called a quantum bit (qubit), the counterpart of the conventional binary digit (bit). A qubit unavoidably interacts with its environment, leading to errors in the qubit state. This article reports on the qubit performance of an electron spin in a silicon/silicon-germanium (Si/SiGe) quantum dot, and examines the dominant error mechanisms. We demonstrate that this qubit can be electrically controlled with sufficient accuracy so that remaining errors could, in principle, be corrected using known protocols, even without isotopically purified silicon. This qubit also offers a quantum memory that lasts for almost 0.5 ms.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

3-D decoupled inversion of complex conductivity data in the real number domain

Complex conductivity inversion, aslo called spectral induced polarization inversion, involves estimating the frequency dependent complex electrical conductivity distribution of the subsurface. The superior diagnostic capabilities provided by complex conductivity spectra have driven advancements in mechanistic understanding of complex conductivity as well as modelling and inversion appraoches over the past several decades. In this work, we demonstrate the theory and application for an approach to three-dimensional modeling and inversion of complex conductivity data in the real number domain. Beginning from first principles, we demonstrate how the equations for the real and imaginary components of the complex potential may be decoupled. This leads to a description of the real and imaginary source current terms, and a corresponding assessment of error arising from an assumption necessary complete the decoupled modeling. We show that for most earth materials, which exhibit relatively small phases (e.g. less than 0.2 radians) in complex conductivity, these errors become insignificant. For higher phase materials, the errors may be quantified and corrected through an iterative procedure. We demonstrate the accuracy of numerical forward solutions by direct comparison to corresponding analytic solutions. We demonstrate the inversion using both synthetic and field examples with data collected over a waste infiltration trench, at frequencies ranging from 0.5 to 7.5 Hz. In addition to insight provided by the decoupled equations, we see three primary advantages of the decoupled inversion in comparison to fully coupled inversion in complex number domain. First, memory requirements are reduced by a factor of two because it is unnecessary to simultaneously store both the real and complex components and associated Jacobian matrices. Second, data noise is specified separately for the real and imaginary components of potential (or magnitude and phase), which removes the ambiguity in data misfit residuals that exists in the complex number domain, thereby enabling the inversion to appropriately fit the data. Final, except for the source current terms, the modeling and inversion algorithms are equivalent to the direct current electrical resistivity tomography counterpart. In conclusion, this enables direct application of advancements and approaches developed originally for electrical resistivity tomography.

58 GEOSCIENCES↗
DOE OSTI2022

Standardizing reverberation-measured C iv time-lag quasars, and using them with standardized Mg ii quasars to constrain cosmological parameters

ABSTRACT We use 38 C iv quasar (QSO) reverberation-mapped observations, which span eight orders of magnitude in luminosity and the redshift range 0.001064 ≤ z ≤ 3.368, to simultaneously constrain cosmological-model and QSO radius–luminosity (R–L) relation parameters in six cosmological models, using an improved technique that more correctly accounts for the asymmetric errors bars of the time-lag measurements. We find that R–L relation parameters are independent of the cosmological models used in the analysis and so the R–L relation can be used to standardize the C iv QSOs. The C iv QSO cosmological constraints are consistent with those from Mg ii QSOs, allowing us to derive joint C iv + Mg ii QSO cosmological constraints which are consistent with currently accelerated cosmological expansion, as well as consistent with cosmological constraints derived using better-established baryon acoustic oscillation (BAO) and Hubble parameter [H(z)] measurements. When jointly analysed with H(z) + BAO data, current C iv + Mg ii QSO data mildly tighten current H(z) + BAO data cosmological constraints.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Fully self-consistent finite-temperature $GW$ in Gaussian Bloch orbitals for solids

In this work, we present algorithmic and implementation details for the fully self-consistent finite-temperature $GW$ method in Gaussian Bloch orbitals for solids. Our implementation is based on the finite-temperature Green's function formalism in which all equations are solved on the imaginary axis, without resorting to analytical continuation during the self-consistency. No quasiparticle approximation is employed and all matrix elements of the self-energy are explicitly evaluated. The method is tested by evaluating the band gaps of selected semiconductors and insulators. We show agreement with other, differently formulated, finite-temperature sc ⁢$GW$ implementations when finite-size corrections and basis-set errors are taken into account. By migrating computationally intensive calculations to graphics processing units, we obtain scalable results on large supercomputers with nearly optimal performance. Our work demonstrates the applicability of Gaussian orbital based sc⁢ $GW$ for ab initio correlated material simulations and provides a sound starting point for embedding methods built on top of $GW$.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Relative energies and electronic structures of CoO polymorphs through ab initio diffusion quantum Monte Carlo

Here, we present a many-body diffusion quantum Monte Carlo (DMC) study on the ground- and excited state properties of crystalline CoO polymorphs. To our knowledge, DMC is the only electronic structure method available to provide correct energetic ordering within experimental error bars between the three CoO polymorphs: rocksalt, wurtzite, and zinc blende. We compare these results to density functional theory (DFT) using state-of-the-art functionals such as SCAN. For the structural properties, such as the lattice parameters and bulk moduli, our results are comparable to HSE and SCAN. Using DMC, we calculated the indirect and direct optical gaps as 3.8(2) and 5.2(2) eV. Our indirect optical gap compares well with the conductivity measurements of 3.6(5) eV and GW calculations with 3.4 eV. Similarly, we obtained the DMC indirect and direct quasiparticle gaps as 3.9(2) and 5.5(2) eV. DMC direct quasiparticle gaps compare well with the direct band gap of 5.53 eV obtained from ellipsometry studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Bypassing the Energy Functional in Density Functional Theory: Direct Calculation of Electronic Energies from Conditional Probability Densities

Density functional calculations can fail for want of an accurate exchange-correlation approximation. The energy can instead be extracted from a sequence of density functional calculations of conditional probabilities (CP DFT). Simple CP approximations yield usefully accurate results for two-electron ions, the hydrogen dimer, and the uniform gas at all temperatures. CP DFT has no self-interaction error for one electron, and correctly dissociates H2, both major challenges. For warm dense matter, classical CP DFT calculations can overcome the convergence problems of Kohn-Sham DFT.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

The first clinical treatment with kilovoltage intrafraction monitoring (KIM): A real-time image guidance method

Purpose: Kilovoltage intrafraction monitoring (KIM) is a real-time image guidance method that uses widely available radiotherapy technology, i.e., a gantry-mounted x-ray imager. The authors report on the geometric and dosimetric results of the first patient treatment using KIM which occurred on September 16, 2014. Methods: KIM uses current and prior 2D x-ray images to estimate the 3D target position during cancer radiotherapy treatment delivery. KIM software was written to process kilovoltage (kV) images streamed from a standard C-arm linear accelerator with a gantry-mounted kV x-ray imaging system. A 120° pretreatment kV imaging arc was acquired to build the patient-specific 2D to 3D motion correlation. The kV imager was activated during the megavoltage (MV) treatment, a dual arc VMAT prostate treatment, to estimate the 3D prostate position in real-time. All necessary ethics, legal, and regulatory requirements were met for this clinical study. The quality assurance processes were completed and peer reviewed. Results: During treatment, a prostate position offset of nearly 3 mm in the posterior direction was observed with KIM. This position offset did not trigger a gating event. After the treatment, the prostate motion was independently measured using kV/MV triangulation, resulting in a mean difference of less than 0.6 mm and standard deviation of less than 0.6 mm in each direction. The accuracy of the marker segmentation was visually assessed during and after treatment and found to be performing well. During treatment, there were no interruptions due to performance of the KIM software. Conclusions: For the first time, KIM has been used for real-time image guidance during cancer radiotherapy. The measured accuracy and precision were both submillimeter for the first treatment fraction. This clinical translational research milestone paves the way for the broad implementation of real-time image guidance to facilitate the detection and correction of geometric and dosimetric errors, and resultant improved clinical outcomes, in cancer radiotherapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Assessing North Atlantic Tropical Cyclone Rainfall Hazard Using Engineered-Synthetic Storms and a Physics-Based Tropical Cyclone Rainfall Model

In this study, we design a statistical method to couple observations with a physics-based tropical cyclone (TC) rainfall model (TCR) and engineered-synthetic storms for assessing TC rainfall hazard. We first propose a bias-correction method to minimize the errors induced by TCR via matching the probability distribution of TCR-simulated historical TC rainfall with gauge observations. Then we assign occurrence probabilities to engineered-synthetic storms to reflect local climatology, through a resampling method that matches the probability distribution of a newly proposed storm parameter named rainfall potential (POT) in the synthetic dataset with that in the observation. POT is constructed to include several important storm parameters for TC rainfall such as TC intensity, duration, and distance and environmental humidity near landfall, and it is shown to be correlated with TCR-simulated rainfall. The proposed method has a satisfactory performance in reproducing the rainfall hazard curve in various locations in the continental United States; it is an improvement over the traditional joint probability method (JPM) for TC rainfall hazard assessment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Corrigendum

In Schiemann et al. (2017), a mistake occurred in Fig. 11 in how the area-weighted cor-relation and root-mean-square error (RMSE) were calculated. The corrected figure appears below. This has no impact on the interpretation of the figure and on the conclusions of the paper. Any future quantitative comparisons will need to refer to the corrected version of the figure. We regret any inconvenience this may cause.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2026

Data-Driven Modeling and Correction of Vehicle Dynamics

We develop a data-driven framework for learning and correcting nonautonomous vehicle dynamics. Physics-based vehicle models are often simplified for tractability and therefore exhibit inherent model-form uncertainty, motivating the need for data-driven correction. Moreover, nonautonomous dynamics are governed by time-dependent control inputs, which pose challenges in learning predictive models directly from temporal snapshot data. To address these, we reformulate the vehicle dynamics via a local parameterization of the time-dependent inputs, yielding a modified system composed ofa sequence of local parametric dynamical systems. Here, we approximate these parametric systems using two complementary approaches. First, we employ the dimension reduction and interpolation in parameter space (DRIPS) methodology to construct efficient linear surrogate models, equipped with lifted observable spaces and manifold-based operator interpolation. This enables data-efficient learning of vehicle models whose dynamics admit accurate linear representations in the lifted spaces. Second, for more strongly nonlinear systems, we employ flow map learning (FML), a deep neural network (DNN) approach that approximates the parametric evolution map without requiring special treatment of nonlinearities. We further extend FML with a transfer-learning-based model correction procedure, enabling the correction of misspecified prior models using only a sparse set of high-fidelity or experimental measurements, without assuming a prescribed form for the correction term. Through a suite of numerical experiments on unicycle, simplified bicycle, and slip-based bicycle models, we demonstrate that DRIPS offers robust and highly data-efficient learning of nonautonomous vehicle dynamics, while FML provides expressive nonlinear modeling and effective correction of model-form errors under severe data scarcity.

data-driven modeling↗
DOE OSTI2017

Dual Microwave Radiometer Experiment Field Campaign Report

Passive microwave radiometers (MWRs) are the most commonly used and accurate instruments the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Research Facility has to retrieve cloud liquid water path (LWP). The MWR measurements (microwave radiances or brightness temperatures) are often used to derive LWP using climatological constraints, but are frequently also combined with measurements from radar and other instruments for cloud microphysical retrievals. Nominally this latter approach improves the retrieval of LWP and other cloud microphysical quantities (such as effective radius or number concentration), but this also means that when MWR data are poor, other cloud microphysical quantities are also negatively affected. Unfortunately, current MWR data is often contaminated by water on the MWR radome. This water makes a substantial contribution to the measured radiance and typically results in retrievals of cloud liquid water and column water vapor that are biased high. While it is obvious when the contamination by standing water is large (and retrieval biases are large), much of the time it is difficult to know with confidence that there is no contamination. At present there is no attempt to estimate or correct for this source of error, and identification of problems is largely left to users. Typically users are advised to simply throw out all data when the MWR “wet-window” resistance-based sensor indicates water is present, but this sensor is adjusted by hand and is known to be temperamental. In order to address this problem, a pair of ARM microwave radiometers was deployed to the University of Washington (UW) in Seattle, Washington, USA. The radiometers were operated such that one radiometer was scanned under a cover that (nominally) prevents this radiometer radome from gathering water and permits measurements away from zenith; while the other radiometer is operated normally – open or uncovered - with the radome exposed to the sky. The idea is that (1) the covered radiometer data can provide LWP (and water vapor) along the off-zenith slant path and (2) the two sets of measurements can be compared to identify when wet-radome contamination is occurring.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Black Box Equations of State: Creating Semi-analytic Solutions to the Noh Problem and Verifying Equation of State Interfaces

The objective of this report is threefold. First, it details a method for deriving a semi-analytic solution to the Noh Problem when using a “black-box” equation of state. Such capability allows us to perform verification on complicated, more realistic equations of state. Examples include Steinberg equations of state for materials and tabulated equations of state. The second objective is to apply the methodology to verify the singularity-eos equation of state library. We do so by solving the Rankine-Hugoinot jump conditions for the Noh Problem, ensuring singularity derives the correct solution and comparing the error to an exact implementation of the equation of state. The third objective is to perform verification of the xRAGE Eulerian hydrodynamics code when interfaced with singularity. We provide the theory, analysis, documentation for a python implementation of the proposed solver, and verification results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Experiment Based Superposition Thermal Modeling of Laser Powder Bed Fusion

This paper evaluates experiment-based superposition thermal modeling for Laser Powder Bed Fusion (LPBF) with a pulsed laser. An analytical pulsed laser thermal model establishes the modeling procedure. The framework inverts a powder bed’s single pulse temperature response from experimental spatiotemporal Short-Wave Infrared (SWIR) camera data. Superimposing this response along a scan path simulates multi-pulse LPBF. Results show the experimentally informed superposition model rapidly and accurately predicts a layer’s temperature history. The model has applications in correction of thermally driven LPBF errors and in-situ part qualification.

Lough, Cody↗
DOE OSTI2015

A study on the criticality safety for the direct disposal of used nuclear fuel in Japan: Application of burnup credit to the criticality safety evaluation for the disposal canister - 14049

Japan has recently started the technical development of the direct disposal of used nuclear fuel (UNF) to prepare various disposal options. Unlike the disposal of radioactive waste from UNF reprocessing, criticality safety is important here because of the presence of a certain amount of fissile nuclides in UNF. This paper provides an outline of the research to be addressed in this field and the relevant studies in Japan. It especially includes the first result of a criticality safety evaluation of a disposal canister model adopting burnup credit. In this evaluation, it was assumed that a steel disposal canister loaded with fuel assemblies was surrounded by a clay buffer material, and the fuel assemblies and the disposal canister were intact. Conditions representative of discharged pressurized-water reactor (PWR) fuel were applied in this study - initial U-235 enrichment of 4.5 wt% and burnup of 45 GWd/t. The isotopic composition of the burnt fuel was evaluated using SWAT3.1 code. In the depletion calculation, conservative parameters were applied within the typical PWR operation range. The effective neutron multiplication factor (k{sub eff}) was then calculated using a continuous-energy Monte Carlo code MVP-2.0, adopting the JENDL-4.0 nuclear data library. Uncertainty in k{sub eff} due to depletion calculation errors was evaluated using the correction factors of isotopic composition, which were obtained via multiple comparisons between the calculated and measured isotopic concentrations of irradiated fuels. In addition, the effects of axial burnup profile and horizontal burnup gradient on k{sub eff} were evaluated using the open burnup distribution database. The k{sub eff} including the uncertainties and conservatism was found to be below 0.95 for both actinide-only and actinide and fission product considerations when the fuel assemblies and the disposal canister were assumed to be intact. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

SU-F-J-126: Influence of Six Dimensional Motions in Frameless Stereotactic Dosimetry Incorporating Rotational Shifts as Equivalent Translational Shifts: A Feasibility Study for Elekta-BrainLAB Stereotactic System

Purpose: Six dimensional positional shifts (translational and rotational) determined by a volumetric imaging system were mathematically combined and incorporated as simple translational shifts and the resultant impact on dose characteristics was studied. Methods: Thirty patients who underwent either single fraction (12 Gy) or five fractions (5 Gy per fraction) stereotactic treatments were included in this study. They were immobilized using a double layered thermoplastic mask from BrainLAB. Isocenter matching was done using infrared marker of ExacTrac. An initial cone beam CT (CBCT) gave positional shifts in 6-dimensions that were applied through 6-D motion enabled couch. A verification CBCT was done following corrections before treatment. These 6-D positional shifts determined at each imaging session from the first CBCT were mathematically combined to give three simple translational shifts. Doses were recalculated in the patient matrix with these positional errors present by moving the whole image dataset. Doses were also recalculated after second CBCT with only residual errors present. PTV dose statistics were compared. Results: For the approved plans V100%(PTV), V100%(GTV), D95%(PTV), D95%(GTV), D1%(PTV) and D1%(GTV) were 96.2±3.0%, 98.2±1.4%, 102%±1.7%, 103±1.2%, 107.9±8.9% and 109.3±7.5% of prescription dose respectively. With the positional errors present (after 1st CBCT) the corresponding values were 86.7±4.9%, 91.3±2.9%, 89.6±4.2%, 95.9±3.7%, 108.3±9.9% and 108.6±4.5%. Post-correction (after 2nd CBCT) with only residual errors present, values were 94.5±5.7%, 97.3±2.9%, 99.3%±3.2%, 102%±2.1%, 107.6±8.5% and 109.0±7.6% respectively. Significant and nominal OAR dose variation was observed between pre- and post-table corrections. Conclusion: Positional errors significantly affect PTV dose statistics. They need to be corrected before delivery of stereotactic treatments although the magnitude of dose changes can vary from patient-to-patient depending on the tumor location. As expected after the table corrections, residual errors result in insignificant dose deviations. For frameless stereotactic treatments having a six-dimensional motion enabled couch is highly recommended to reduce quantum of dose deviations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Rationalizing accurate structure prediction in the meta-GGA SCAN functional

The ability of first-principles computational methods to reproduce ground-state crystal structure selection is key to their application in the discovery of new materials, and yet presents a formidable challenge due to the low-energy scale of the problem and lack of systematic error cancellation. The recently developed Strongly Constrained and Appropriately Normed (SCAN) functional is notable for accurately calculating physical properties such as formation energies and in particular, correctly predicting ground-state structures. Here in this paper, we attempt to rationalize the improved structure prediction accuracy in SCAN by investigating the relationship between preferred coordination environments, the description of attractive van der Waals (vdW) interactions, and the overall ground-state prediction in bulk main-group solids. We observe a systematic undercoordination error in the traditional Perdew, Burke, and Ernzerhof (PBE) functional which is not present in SCAN results and find that semiempirical dispersion corrections in the form of PBE + D 3 fail to correct this error in a consistent or physical manner. We conclude that the medium-range vdW interaction is correctly parametrized in SCAN and yields meaningful relative energies between coordination environments.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Toward the fabrication of a 5- μm -resolution Wolter microscope for the National Ignition Facility (invited)

Advancements in computer-controlled polishing, metrology, and replication have led to an x-ray mirror fabrication process that is capable of producing high-resolution Wolter microscopes. Here, we present the fabrication and test of a nickel–cobalt replicated full-shell x-ray mirror that was electroformed from a finely figured and polished mandrel. This mandrel was designed for an 8-m source-to-detector-distance microscope, with 10× magnification, and was optimized to reduce shell distortions that occur within 20 mm of the shell ends. This, in combination with an improved replication tooling design and refined bath parameters informed by a detailed COMSOL Multiphysics® model, has led to reductions in replication errors in the mirrors. Mandrel surface fabrication was improved by implementing a computer-controlled polishing process that corrected the low-frequency mandrel figure error and achieved <2.0 nm RMS convergence error. X-ray tests performed on a pair of mirror shells replicated from the mandrel have demonstrated <10 μm full-width at half-maximum (FWHM) spatial resolution. Here, we discuss the development process, highlight results from metrology and x-ray testing, and define a path for achieving a program goal of 5 μm FWHM resolution.

47 OTHER INSTRUMENTATION↗