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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Statistical and systematic errors in the measurement of weak-lensing Minkowski functionals: Application to the Canada-France-Hawaii Lensing Survey

The measurement of cosmic shear using weak gravitational lensing is a challenging task that involves a number of complicated procedures. We study in detail the systematic errors in the measurement of weak-lensing Minkowski Functionals (MFs). Specifically, we focus on systematics associated with galaxy shape measurements, photometric redshift errors, and shear calibration correction. We first generate mock weak-lensing catalogs that directly incorporate the actual observational characteristics of the Canada-France-Hawaii Lensing Survey (CFHTLenS). We then perform a Fisher analysis using the large set of mock catalogs for various cosmological models. We find that the statistical error associated with the observational effects degrades the cosmological parameter constraints by a factor of a few. The Subaru Hyper Suprime-Cam (HSC) survey with a sky coverage of ∼1400 deg{sup 2} will constrain the dark energy equation of the state parameter with an error of Δw {sub 0} ∼ 0.25 by the lensing MFs alone, but biases induced by the systematics can be comparable to the 1σ error. We conclude that the lensing MFs are powerful statistics beyond the two-point statistics only if well-calibrated measurement of both the redshifts and the shapes of source galaxies is performed. Finally, we analyze the CFHTLenS data to explore the ability of the MFs to break degeneracies between a few cosmological parameters. Using a combined analysis of the MFs and the shear correlation function, we derive the matter density Ω{sub m0}=0.256±{sub 0.046}{sup 0.054}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

First-principles energetics of water clusters and ice: A many-body analysis

Standard forms of density-functional theory (DFT) have good suggestive power for many materials, but are not yet fully satisfactory for cluster, solid, and liquid forms of water. Current work has stressed the importance of DFT errors in describing dispersion, but we note that errors in other parts of the energy may also contribute. We obtain information about the nature of DFT errors by using a many-body separation of the total energy into its 1-body, 2-body, and beyond-2-body components to analyze the deficiencies of the popular PBE and BLYP approximations for the energetics of water clusters and ice structures. The errors of these approximations are computed by using accurate benchmark energies from the coupled-cluster technique of molecular quantum chemistry and from quantum Monte Carlo calculations. The systems studied are isomers of the water hexamer cluster, the crystal structures Ih, II, XV, and VIII of ice, and two clusters extracted from ice VIII. For the binding energies of these systems, we use the machine-learning technique of Gaussian Approximation Potentials to correct successively for 1-body and 2-body errors of the DFT approximations. We find that even after correction for these errors, substantial beyond-2-body errors remain. The characteristics of the 2-body and beyond-2-body errors of PBE are completely different from those of BLYP, but the errors of both approximations disfavor the close approach of non-hydrogen-bonded monomers. We note the possible relevance of our findings to the understanding of liquid water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

TH-C-BRD-06: A Novel MRI Based CT Artifact Correction Method for Improving Proton Range Calculation in the Presence of Severe CT Artifacts

Purpose: Severe CT artifacts can impair our ability to accurately calculate proton range thereby resulting in a clinically unacceptable treatment plan. In this work, we investigated a novel CT artifact correction method based on a coregistered MRI and investigated its ability to estimate CT HU and proton range in the presence of severe CT artifacts. Methods: The proposed method corrects corrupted CT data using a coregistered MRI to guide the mapping of CT values from a nearby artifact-free region. First patient MRI and CT images were registered using 3D deformable image registration software based on B-spline and mutual information. The CT slice with severe artifacts was selected as well as a nearby slice free of artifacts (e.g. 1cm away from the artifact). The two sets of paired MRI and CT images at different slice locations were further registered by applying 2D deformable image registration. Based on the artifact free paired MRI and CT images, a comprehensive geospatial analysis was performed to predict the correct CT HU of the CT image with severe artifact. For a proof of concept, a known artifact was introduced that changed the ground truth CT HU value up to 30% and up to 5cm error in proton range. The ability of the proposed method to recover the ground truth was quantified using a selected head and neck case. Results: A significant improvement in image quality was observed visually. Our proof of concept study showed that 90% of area that had 30% errors in CT HU was corrected to 3% of its ground truth value. Furthermore, the maximum proton range error up to 5cm was reduced to 4mm error. Conclusion: MRI based CT artifact correction method can improve CT image quality and proton range calculation for patients with severe CT artifacts.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Effect of Body Mass Index on Magnitude of Setup Errors in Patients Treated With Adjuvant Radiotherapy for Endometrial Cancer With Daily Image Guidance

Purpose: To determine the impact of body mass index (BMI) on daily setup variations and frequency of imaging necessary for patients with endometrial cancer treated with adjuvant intensity-modulated radiotherapy (IMRT) with daily image guidance. Methods and Materials: The daily shifts from a total of 782 orthogonal kilovoltage images from 30 patients who received pelvic IMRT between July 2008 and August 2010 were analyzed. The BMI, mean daily shifts, and random and systematic errors in each translational and rotational direction were calculated for each patient. Margin recipes were generated based on BMI. Linear regression and spearman rank correlation analysis were performed. To simulate a less-than-daily IGRT protocol, the average shift of the first five fractions was applied to subsequent setups without IGRT for assessing the impact on setup error and margin requirements. Results: Median BMI was 32.9 (range, 23-62). Of the 30 patients, 16.7% (n = 5) were normal weight (BMI <25); 23.3% (n = 7) were overweight (BMI {>=}25 to <30); 26.7% (n = 8) were mildly obese (BMI {>=}30 to <35); and 33.3% (n = 10) were moderately to severely obese (BMI {>=} 35). On linear regression, mean absolute vertical, longitudinal, and lateral shifts positively correlated with BMI (p = 0.0127, p = 0.0037, and p < 0.0001, respectively). Systematic errors in the longitudinal and vertical direction were found to be positively correlated with BMI category (p < 0.0001 for both). IGRT for the first five fractions, followed by correction of the mean error for all subsequent fractions, led to a substantial reduction in setup error and resultant margin requirement overall compared with no IGRT. Conclusions: Daily shifts, systematic errors, and margin requirements were greatest in obese patients. For women who are normal or overweight, a planning target margin margin of 7 to 10 mm may be sufficient without IGRT, but for patients who are moderately or severely obese, this is insufficient.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

Design of a low-emittance lattice for 3.5 GeV synchrotron light source

We investigate a lattice design for a low-emittance, high-brilliance intermediate energy synchrotron light source that is being intensively performed in the world. We present the design results in detail for a non-achromatic double bend achromat lattice with an emittance of 1.1 nm and 597.6 m circumference. Each superperiod has 4 straight sections, 7 m, 5.4 m, and 2 × 2.8 m in length, giving a total of 60 straight sections in the ring. The lattice is designed to be flexible and also provides an achromatic optics with an emittance of 3.2 nm. The lattice provides high brilliance at a photon energy of a few tens of keV, which meets the requirements of hard X-ray synchrotron radiation users. We investigated the dynamic aperture in the lattice with machine errors using a simulation method that achieves the optimal tune for the ring. The low-emittance lattice provides sufficient dynamic aperture after closed orbit distortion correction. We show an estimate of variations of emittance, energy spread, and dynamic aperture due to a wiggler in the straight sections. We present the design of an injection scheme for full energy injection, the space allocation in injection section, and the particle dynamics of injected beam. Particle tracking after beam injection was performed to examine the validity of the injection scheme. Our design lattice shows good optimization in terms of the emittance, number of straight sections, brilliance, and circumference as a light source for 3.5 GeV beam energy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Active phase correction of high resolution silicon photonic arrayed waveguide gratings

Arrayed waveguide gratings provide flexible spectral filtering functionality for integrated photonic applications. Achieving narrow channel spacing requires long optical path lengths which can greatly increase the footprint of devices. High index contrast waveguides, such as those fabricated in silicon-on-insulator wafers, allow tight waveguide bends which can be used to create much more compact designs. Both the long optical path lengths and the high index contrast contribute to significant optical phase error as light propagates through the device. Thus, silicon photonic arrayed waveguide gratings require active or passive phase correction following fabrication. We present the design and fabrication of compact silicon photonic arrayed waveguide gratings with channel spacings of 50, 10 and 1 GHz. The largest device, with 11 channels of 1 GHz spacing, has a footprint of only 1.1 cm 2 . Using integrated thermo-optic phase shifters, the phase error is actively corrected. We present two methods of phase error correction and demonstrate state-of-the-art cross-talk performance for high index contrast arrayed waveguide gratings. As a demonstration of possible applications, we perform RF channelization with 1 GHz resolution. In addition, we generate unique spectral filters by applying non-zero phase offsets calculated by the Gerchberg Saxton algorithm.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Characterization of Cameras for the COSMO K-coronagraph

Digital image sensors are ubiquitous in astronomical instrumentation and it is well known that they suffer from issues that must be corrected for data to be scientifically useful. I present discussion on errors resulting from digitization and characterization of nonlinearity and ADC errors of the PhotonFocus MV-D1024E cameras selected for the K-coronagraph of the Coronal Solar Magnetism Observatory. I derive an analytic expression for quantization errors. The MV-D1024E camera has adequate bit depth for which quantization error is not an issue. I show that this is not the case for all cameras, particularly those with deep wells and low read noise. The impact of nonlinearity and ADC errors on science observations of the K-coronagraph is analyzed using a simplified telescope model. Errors caused by the camera ADCs result in systematic errors in the measurement of the polarimetric signal of several times 10{sup −9} B {sub ⊙}, which is about an order of magnitude above the desired sensitivity. I demonstrate a method for post-facto data correction using a lookup table and derive parameters from camera characterization measurements that were made with a lab setup. Nonlinearity is traditionally addressed with a global correction. I show through analysis of calibration data that for the MV-D1024E this correction leaves residual systematic errors after dark and gain correction of up to 1% of the signal. I demonstrate that a pixel-wise correction of nonlinearity reduces the errors to below 0.1%. These corrections are necessary for the K-coronagraph data products to meet the science requirements. They have been implemented in the instrument data acquisition system and data reduction pipeline. While no other instruments besides the K-coronagraph or cameras besides the MV-D1024E are discussed here, the results are illustrative for all instruments and cameras.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Subtlety of TiO 2 phase stability: Reliability of the density functional theory predictions and persistence of the self-interaction error

TiO 2 is an important material with broad applications that can exist in different phases with dramatically different properties. Theoretical prediction of their polymorph energetics is therefore critical for the material design and for identifying thermodynamically accessible structures. Determining TiO 2 relative phase stabilities remains challenging for first-principles methods, and density functional theory is the only approach available for studying phase stabilities at finite temperatures with acceptable computational efficiency. Here, we show that density functional theory using the recently developed efficient strongly constrained and appropriately normed (SCAN) [Sun et al., Phys. Rev. Lett. 115, 036402 (2015)] exchange-correlation functional for the first time predicts the phase stability in qualitative agreement with the experimental results at realistic conditions. Further analysis shows that the self-interaction error intrinsic in the density functional persists in the stability prediction. By correcting the self-interaction error through an empirical approach, SCAN predicts the relative stability as well as defect properties in excellent agreement with the experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Error mitigation, optimization, and extrapolation on a trapped-ion testbed

Current noisy intermediate-scale quantum (NISQ) trapped-ion devices are subject to errors which can significantly impact the accuracy of calculations if left unchecked. A form of error mitigation called zero noise extrapolation (ZNE) can decrease an algorithm’s sensitivity to these errors without increasing the number of required qubits. Here we explore different methods for integrating this error mitigation technique into the Variational Quantum Eigensolver (VQE) algorithm for calculating the ground state of the HeH + molecule at 0.8 Å in the presence of experimental noise. Using the Quantum Scientific Computing Open User Testbed (QSCOUT) trapped-ion device, we test three methods of scaling noise for extrapolation: time stretching the two-qubit gates, scaling the sideband detuning parameter, and inserting two-qubit gate identity operations into the ansatz circuit. We find that time stretching and sideband detuning scaling fail to scale the noise on our particular hardware in a way that can be extrapolated to zero noise. Scaling our noise with global gate identity insertions and extrapolating after variational optimization, we achieve error suppression of 96.8%, resulting in an energy estimate within –0.004 ± 0.04 hartree of the ground state energy. This is an improvement, but still outside the chemical accuracy threshold of 0.0016 hartree. Furthermore, our results show that the efficacy of this error mitigation technique depends on choosing the correct implementation for a given device architecture.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

AI/ML-Enhanced Wind Forecasts for Reducing Uncertainty in Prescribed Fire Planning

Prescribed fire is a vital tool for ecosystem management and wildfire risk reduction but its escalation is constrained by overly conservative burn windows because of uncertainties, for instance, in wind forecasts. This review describes the state of the art in weather product use by fire/smoke models and identifies three priority research gaps that artificial intelligence/machine learning (AI/ML) is well positioned to address: (1) spatial and temporal downscaling to meter-scale, sub-hourly wind fields; (2) bias correction for systematic model errors in complex terrain; and (3) robust uncertainty quantification to inform ensemble-based simulations. Emerging AI/ML techniques offer promising frameworks to address all three challenges. By providing high-resolution, bias-corrected, and probabilistic wind fields, AI/ML-enhanced forecasts will allow for expanded burn windows, improved ignition strategy design and a reduced reliance on expert intuition, especially when a prescribed fire is introduced into new areas.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Broadband distortion modeling in Lyman-α forest BAO fitting

Recently, the Lyman-α absorption observed in the spectra of high-redshift quasars has been used as a tracer of large-scale structure by means of the three-dimensional Lyman-α forest auto-correlation function at redshift z≃ 2.3, but the need to fit the quasar continuum in every absorption spectrum introduces a broadband distortion that is difficult to correct and causes a systematic error for measuring any broadband properties. Here, we describe a k-space model for this broadband distortion based on a multiplicative correction to the power spectrum of the transmitted flux fraction that suppresses power on scales corresponding to the typical length of a Lyman-α forest spectrum. In implementing the distortion model in fits for the baryon acoustic oscillation (BAO) peak position in the Lyman-α forest auto-correlation, we find that the fitting method recovers the input values of the linear bias parameter b F and the redshift-space distortion parameter β F for mock data sets with a systematic error of less than 0.5%. Applied to the auto-correlation measured for BOSS Data Release 11, our method improves on the previous treatment of broadband distortions in BAO fitting by providing a better fit to the data using fewer parameters and reducing the statistical errors on βF and the combination b F (1+β F ) by more than a factor of seven. The measured values at redshift z=2.3 are βF=1.39 +0.11 +0.24 +0.38 -0.10 -0.19 -0.28 and bF(1+βF)=-0.374 +0.007 +0.013 +0.020 -0.007 -0.014 -0.022 (1σ, 2σ and 3σ statistical errors). Our fitting software and the input files needed to reproduce our main results are publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations

The transition temperature between the low-temperature alpha phase of tin to beta tin is close to the room temperature (T{sub αβ} = 13{sup 0}C), and the difference in cohesive energy of the two phases at 0 K of about ΔE{sub coh} =0.02 eV/atom is at the limit of the accuracy of DFT (density functional theory) with available exchange-correlation functionals. It is however critically important to model the relative phase energies correctly for any reasonable description of phenomena and technologies involving these phases, for example, the performance of tin electrodes in electrochemical batteries. Here, we show that several commonly used and converged DFT setups using the most practical and widely used PBE functional result in ΔE{sub coh} ≈0.04 eV/atom, with different types of basis sets and with different models of core electrons (all-electron or pseudopotentials of different types), which leads to a significant overestimation of T{sub αβ}. We show that this is due to the errors in relative positions of s and p –like bands, which, combined with different populations of these bands in α and β Sn, leads to overstabilization of alpha tin. We show that this error can be effectively corrected by applying a Hubbard +U correction to s –like states, whereby correct cohesive energies of both α and β Sn can be obtained with the same computational scheme. We quantify for the first time the effects of anharmonicity on ΔE{sub coh} and find that it is negligible.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Waste Form Release Data Package for the 2005 Integrated Disposal Facility Performance Assessment. Erratum

This report refers to or contains K g values for glasses LAWA44, LAWB45 and LAWC22 affected by calculations errors as identified by Papathanassiu et al. (2011). The corrected K g values are reported in an erratum included in the revised version of the original report. The revised report can be referenced as follows: Pierce E. M. et al. (2004) Waste Form Release Data Package for the 2005 Integrated Disposal Facility Performance Assessment. PNNL-14805 Rev. 0 Erratum. Pacific Northwest National Laboratory, Richland, WA, USA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

SU-E-J-103: Setup Errors Analysis by Cone-Beam CT (CBCT)-Based Imaged-Guided Intensity Modulated Radiotherapy for Esophageal Cancer

Purpose: To quantify setup errors by pretreatment kilovolt cone-beam computed tomography(KV-CBCT) scans for middle or distal esophageal carcinoma patients. Methods: Fifty-two consecutive middle or distal esophageal carcinoma patients who underwent IMRT were included this study. A planning CT scan using a big-bore CT simulator was performed in the treatment position and was used as the reference scan for image registration with CBCT. CBCT scans(On-Board Imaging v1. 5 system, Varian Medical Systems) were acquired daily during the first treatment week. A total of 260 CBCT scans was assessed with a registration clip box defined around the PTV-thorax in the reference scan based on(nine CBCTs per patient) bony anatomy using Offline Review software v10.0(Varian Medical Systems). The anterior-posterior(AP), left-right(LR), superiorinferior( SI) corrections were recorded. The systematic and random errors were calculated. The CTV-to-PTV margins in each CBCT frequency was based on the Van Herk formula (2.5Σ+0.7σ). Results: The SD of systematic error (Σ) was 2.0mm, 2.3mm, 3.8mm in the AP, LR and SI directions, respectively. The average random error (σ) was 1.6mm, 2.4mm, 4.1mm in the AP, LR and SI directions, respectively. The CTV-to-PTV safety margin was 6.1mm, 7.5mm, 12.3mm in the AP, LR and SI directions based on van Herk formula. Conclusion: Our data recommend the use of 6 mm, 8mm, and 12 mm for esophageal carcinoma patient setup in AP, LR, SI directions, respectively.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Technical Note: On the calculation of stopping-power ratio for stoichiometric calibration in proton therapy

Purpose: The quantitative effects of assumptions made in the calculation of stopping-power ratios (SPRs) are investigated, for stoichiometric CT calibration in proton therapy. The assumptions investigated include the use of the Bethe formula without correction terms, Bragg additivity, the choice of I-value for water, and the data source for elemental I-values. Methods: The predictions of the Bethe formula for SPR (no correction terms) were validated against more sophisticated calculations using the SRIM software package for 72 human tissues. A stoichiometric calibration was then performed at our hospital. SPR was calculated for the human tissues using either the assumption of simple Bragg additivity or the Seltzer-Berger rule (as used in ICRU Reports 37 and 49). In each case, the calculation was performed twice: First, by assuming the I-value of water was an experimentally based value of 78 eV (value proposed in Errata and Addenda for ICRU Report 73) and second, by recalculating the I-value theoretically. The discrepancy between predictions using ICRU elemental I-values and the commonly used tables of Janni was also investigated. Results: Errors due to neglecting the correction terms to the Bethe formula were calculated at less than 0.1% for biological tissues. Discrepancies greater than 1%, however, were estimated due to departures from simple Bragg additivity when a fixed I-value for water was imposed. When the I-value for water was calculated in a consistent manner to that for tissue, this disagreement was substantially reduced. The difference between SPR predictions when using Janni’s or ICRU tables for I-values was up to 1.6%. Experimental data used for materials of relevance to proton therapy suggest that the ICRU-derived values provide somewhat more accurate results (root-mean-square-error: 0.8% versus 1.6%). Conclusions: The conclusions from this study are that (1) the Bethe formula can be safely used for SPR calculations without correction terms; (2) simple Bragg additivity can be reasonably assumed for compound materials; (3) if simple Bragg additivity is assumed, then the I-value for water should be calculated in a consistent manner to that of the tissue of interest (rather than using an experimentally derived value); (4) the ICRU Report 37 I-values may provide a better agreement with experiment than Janni’s tables.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

LOFAR facet callibration

LOFAR, the Low-Frequency Array, is a powerful new radio telescope operating between 10 and 240 MHz. LOFAR allows detailed sensitive high-resolution studies of the low-frequency radio sky. At the same time LOFAR also provides excellent short baseline coverage to map di use extended emission. However, producing high-quality deep images is challenging due to the presence of direction dependent calibration errors, caused by imperfect knowledge of the station beam shapes and the ionosphere. Furthermore, the large data volume and presence of station clock errors present additional di culties. In this paper we present a new calibration scheme, which we name facet calibration, to obtain deep high-resolution LOFAR High Band Antenna images using the Dutch part of the array. This scheme solves and corrects the direction dependent errors in a number of facets that cover the observed eld of view. Facet calibration provides close to thermal noise limited images for a typical 8 hr observing run at ~5'' resolution, meeting the speci cations of the LOFAR Tier-1 northern survey.

79 ASTRONOMY AND ASTROPHYSICS↗