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At least 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Estimating Subhourly Inverter Clipping Loss From Satellite-Derived Irradiance Data: Preprint

Photovoltaic system production simulations are conventionally run using hourly weather datasets. Hourly simulations are sufficiently accurate to predict the majority of long-term system behavior but cannot resolve high-frequency effects like inverter clipping caused by short-duration irradiance variability. Direct modeling of this subhourly clipping error is only possible for the few locations with high-resolution irradiance datasets. This paper describes a method of predicting the magnitude of this error using a machine learning model and 30-minute satellite irradiance data. The method predicts a correction for each 30-minute interval with the potential to roll up into 60-minute corrections to match an hourly energy model. The model is trained and validated at locations where the error can be directly simulated from 1-minute ground data. The validation shows low bias at most ground station locations. The model is also applied to gridded satellite irradiance to produce a heatmap of the estimated clipping error across the United States. Finally, the relative importance of each predictor satellite variable is retrieved from the model and discussed.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2019

Publisher Correction: Scaling of domain cascades in stripe and skyrmion phases

The original version of this Article contained an error in Fig. 4d, in which the label of the region to the left of the white dashed lines incorrectly read 'Order stripes'. The correct version states 'Disorder stripes'. This has been corrected in both the PDF and HTML versions of the Article.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Monte Carlo Explicitly Correlated Second-Order Many-Body Green’s Function Calculations of Semiconductor Band Gaps

A systematically converging series of ab initio, post-density-functional, size-consistent, electron-correlated approximations is desired for predictive computing of felectronic band structures of insulating, semiconducting, and metallic solids. A series that meets all of these desiderata (except the applicability to metals) is ab initio many-body Green's function theory based on Gaussian-type-orbital (GTO) basis sets. Here, its leading-order approximation, the second-order Green's function (GF2) method in the diagonal and frequency-independent approximations with the aug-cc-pVDZ basis set, is applied to the fundamental band gaps of three semiconductors (diamond, silicon, and silicon carbide in the zincblende structure) using cluster models. Corrections are made to the basis-set-incompleteness errors by the explicit-correlation (F12) ansatz (GF2-F12) for the valence band edges. The crystals are modeled as surface-passivated clusters of increasing sizes, whose wave functions are expanded by up to 2709 GTO basis functions. Immense computational costs of these calculations are overcome by the highly scalable stochastic algorithm of the Monte Carlo GF2-F12 method, whose operation cost per state increases only as a cubic power of system size, which has a tiny memory footprint and easily achieves near-perfect parallel efficiency on thousands of CPUs or on hundreds of GPUs. The correlated, F12-corrected highest-occupied and lowest-unoccupied molecular-orbital energy (HOMO-LUMO) gap is 5.78 ± 0.07 eV for C 87 H 76 as compared with the experimental value of the fundamental (indirect) band gap of bulk diamond at 5.48 eV. The correlated, F12-corrected HOMO-LUMO gaps for Si 75 H 76 and Si 32 C 43 H 76 are 2.56 ± 0.15 eV and 3.50 ± 0.12 eV, respectively, which are expected to decrease further with increasing cluster sizes. As a result, the experimental fundamental (indirect) band gaps of bulk silicon and silicon carbide are 1.17 eV and 2.42 eV, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Higher-order space-charge stability in anisotropic beams: Vlasov-Poisson derivation, refined dispersion relations, and stability charts

The Hofmann stability chart is used to screen working points in space-charge-dominated linacs. We identify two errors in its published higher-order dispersion relations: missing $(1\mp2\hatη^2/α)$ factors in the third-order $S^4$ coupling residues, and a sign error in the stated isotropic reduction of the fourth-order relation. Both corrections follow from Hofmann's Vlasov-Poisson equations without fitted parameters. They reproduce coherent tune-shift coefficients in the author's later monograph that the printed forms miss by 24% and 127%. Mode-resolved figures from a published application agree with the corrected relations and reject the printed forms, indicating an inconsistency between the 1998 equations and the calculations underlying those tested figures. We quantify the effect on the non-oscillatory stability chart. Inside the adopted $S^2\le10$ comparison domain, printed and corrected forms disagree on 0.73-2.11% of cells, with no preferred direction. Among excluded cells, disagreement reaches 22%, and the printed relation over-predicts instability at every sampled anisotropy. This concentration may help explain why the errors persisted, although it does not establish their historical cause. For PIP-II, the corrected chart flags four of thirty-two evaluable periods, including one on a third-order odd branch missed by a second-order screen. This count covers non-oscillatory modes only and remains conditional on an unresolved factor-five disagreement between two codes on transverse emittance growth.

Pathak, Abhishek [Fermilab] (ORCID:000000021704208↗
DOE OSTI2016

Analysis of field errors for LARP Nb 3 Sn HQ03 quadrupole magnet

The U.S. LHC Accelerator Research Program, in close collaboration with CERN, has developed three generations of high-gradient quadrupole (HQ) Nb 3 Sn model magnets, to support the development of the 150 mm aperture Nb 3 Sn quadrupole magnets for the High-Luminosity LHC. The latest generation, HQ03, featured coils with better uniformity of coil dimensions and properties than the earlier generations. We tested the HQ03 magnet at FNAL, including the field quality study. The profiles of low-order harmonics along the magnet aperture observed at 15 kA, 1.9 K can be traced back to the assembled coil pack before the magnet assembly. Based on the measured harmonics in the magnet center region, the coil block positioning tolerance was analyzed and compared with earlier HQ01 and HQ02 magnets to correlate with coil and magnet fabrication. Our study the capability of correcting the low-order non-allowed field errors, magnetic shims were installed in HQ03. Furthermore, the expected shim contribution agreed well with the calculation. For the persistent-current effect, the measured a4 can be related to 4% higher in the strand magnetization of one coil with respect to the other three coils. Lastly, we compare the field errors due to the inter-strand coupling currents between HQ03 and HQ02.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

SU-E-J-125: Classification of CBCT Noises in Terms of Their Contribution to Proton Range Uncertainty

Purpose: This study assesses the potential use of CBCT images in adaptive protontherapy by estimating the contribution of the main sources of noise and calibration errors to the proton range uncertainty. Methods: Measurements intended to highlight each particular source have been achieved by adapting either the testbench configuration, e.g. use of filtration, fan-beam collimation, beam stop arrays, phantoms and detector reset light, or the sequence of correction algorithms including water precorrection. Additional Monte-Carlo simulations have been performed to complement these measurements, especially for the beam hardening and the scatter cases. Simulations of proton beams penetration through the resulting images have then been carried out to quantify the range change due to these effects. The particular case of a brain irradiation is considered mainly because of the multiple effects that the skull bones have on the internal soft tissues. Results: On top of the range error sources is the undercorrection of scatter. Its influence has been analyzed from a comparison of fan-beam and full axial FOV acquisitions. In this case, large range errors of about 12 mm can be reached if the assumption is made that the scatter has only a constant contribution over the projection images. Even the detector lag, which a priori induces a much smaller effect, has been shown to contribute for up to 2 mm to the overall error if its correction only aims at reducing the skin artefact. This last result can partially be understood by the larger interface between tissues and bones inside the skull. Conclusion: This study has set the basis of a more systematical analysis of the effect CBCT noise on range uncertainties based on a combination of measurements, simulations and theoretical results. With our method, even more subtle effects such as the cone-beam artifact or the detector lag can be assessed. SBR and JOR are financed by iMagX, a public-private partnership between the region Wallone of Belgium and IBA under convention #1217662.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

WE-G-207-07: Iterative CT Shading Correction Method with No Prior Information

Purpose: Shading artifacts are caused by scatter contamination, beam hardening effects and other non-ideal imaging condition. Our Purpose is to propose a novel and general correction framework to eliminate low-frequency shading artifacts in CT imaging (e.g., cone-beam CT, low-kVp CT) without relying on prior information. Methods: Our method applies general knowledge of the relatively uniform CT number distribution in one tissue component. Image segmentation is applied to construct template image where each structure is filled with the same CT number of that specific tissue. By subtracting the ideal template from CT image, the residual from various error sources are generated. Since the forward projection is an integration process, the non-continuous low-frequency shading artifacts in the image become continuous and low-frequency signals in the line integral. Residual image is thus forward projected and its line integral is filtered using Savitzky-Golay filter to estimate the error. A compensation map is reconstructed on the error using standard FDK algorithm and added to the original image to obtain the shading corrected one. Since the segmentation is not accurate on shaded CT image, the proposed scheme is iterated until the variation of residual image is minimized. Results: The proposed method is evaluated on a Catphan600 phantom, a pelvic patient and a CT angiography scan for carotid artery assessment. Compared to the one without correction, our method reduces the overall CT number error from >200 HU to be <35 HU and increases the spatial uniformity by a factor of 1.4. Conclusion: We propose an effective iterative algorithm for shading correction in CT imaging. Being different from existing algorithms, our method is only assisted by general anatomical and physical information in CT imaging without relying on prior knowledge. Our method is thus practical and attractive as a general solution to CT shading correction. This work is supported by the National Science Foundation of China (NSFC Grant No. 81201091), National High Technology Research and Development Program of China (863 program, Grant No. 2015AA020917), and Fund Project for Excellent Abroad Scholar Personnel in Science and Technology.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Self-interaction error overbinds water clusters but cancels in structural energy differences

Here, we gauge the importance of self-interaction errors in density functional approximations (DFAs) for the case of water clusters. To this end, we used the Fermi–Löwdin orbital self-interaction correction method (FLOSIC) to calculate the binding energy of clusters of up to eight water molecules. Three representative DFAs of the local, generalized gradient, and metageneralized gradient families [i.e., local density approximation (LDA), Perdew–Burke–Ernzerhof (PBE), and strongly constrained and appropriately normed (SCAN)] were used. We find that the overbinding of the water clusters in these approximations is not a density-driven error. We show that, while removing self-interaction error does not alter the energetic ordering of the different water isomers with respect to the uncorrected DFAs, the resulting binding energies are corrected toward accurate reference values from higher-level calculations. In particular, self-interaction–corrected SCAN not only retains the correct energetic ordering for water hexamers but also reduces the mean error in the hexamer binding energies to less than 14 meV/ H 2 O from about 42 meV/ H 2 O for SCAN. By decomposing the total binding energy into many-body components, we find that large errors in the two-body interaction in SCAN are significantly reduced by self-interaction corrections. Higher-order many-body errors are small in both SCAN and self-interaction–corrected SCAN. These findings suggest that orbital-by-orbital removal of self-interaction combined with a proper DFA can lead to improved descriptions of water complexes.

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

Uniformly decaying subspaces for error-mitigated quantum computation

Here, we present a general condition to obtain subspaces that decay uniformly in a system governed by the Lindblad master equation and use them to perform error-mitigated quantum computation. The expectation values of dynamics encoded in such subspaces are unbiased estimators of noise-free expectation values. In analogy to the decoherence free subspaces which are left invariant by the action of Lindblad operators, we show that the uniformly decaying subspaces are left invariant (up to orthogonal terms) by the action of the dissipative part of the Lindblad equation. We apply our theory to a system of qubits and qudits undergoing relaxation with varying decay rates and show that such subspaces can be used to eliminate bias up to first-order variations in the decay rates without requiring full knowledge of noise. Since such a bias cannot be corrected through standard symmetry verification, our method can improve error mitigation in dual-rail qubits and, given partial knowledge of noise, can perform better than probabilistic error cancellation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

SU-E-T-477: An Efficient Dose Correction Algorithm Accounting for Tissue Heterogeneities in LDR Brachytherapy

Purpose: Seed brachytherapy is currently used for adjuvant radiotherapy of early stage prostate and breast cancer patients. The current standard for calculation of dose surrounding the brachytherapy seeds is based on American Association of Physicist in Medicine Task Group No. 43 (TG-43 formalism) which generates the dose in homogeneous water medium. Recently, AAPM Task Group No. 186 emphasized the importance of accounting for tissue heterogeneities. This can be done using Monte Carlo (MC) methods, but it requires knowing the source structure and tissue atomic composition accurately. In this work we describe an efficient analytical dose inhomogeneity correction algorithm implemented using MIM Symphony treatment planning platform to calculate dose distributions in heterogeneous media. Methods: An Inhomogeneity Correction Factor (ICF) is introduced as the ratio of absorbed dose in tissue to that in water medium. ICF is a function of tissue properties and independent of source structure. The ICF is extracted using CT images and the absorbed dose in tissue can then be calculated by multiplying the dose as calculated by the TG-43 formalism times ICF. To evaluate the methodology, we compared our results with Monte Carlo simulations as well as experiments in phantoms with known density and atomic compositions. Results: The dose distributions obtained through applying ICF to TG-43 protocol agreed very well with those of Monte Carlo simulations as well as experiments in all phantoms. In all cases, the mean relative error was reduced by at least 50% when ICF correction factor was applied to the TG-43 protocol. Conclusion: We have developed a new analytical dose calculation method which enables personalized dose calculations in heterogeneous media. The advantages over stochastic methods are computational efficiency and the ease of integration into clinical setting as detailed source structure and tissue segmentation are not needed. University of Toronto, Natural Sciences and Engineering Research Council of Canada.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Calculated and Measured Dose Distributions in an Anthropomorphic RANDO Phantom - Paper 105

Patient-specific quality assurance (QA) is a major component of the Intensity Modulated Radiation Therapy (IMRT) clinical process. The objective of this often time-intensive measurement process is to verify that the prescribed dose is accurately delivered to the target volume while sparing surrounding healthy tissue. The IMRT dose distributions can be measured using a wide variety of techniques and measurement devices including film (radiographic and radiochromic), ion chamber arrays, diode arrays, and Electronic Portal Imaging Devices (EPIDs). Of all the available modalities, film is one of the most versatile and most frequently utilized measurement systems. In rotation delivery techniques (such as volume modulated arc therapy and helical tomotherapy), composite dose distributions are obtained by irradiating a test phantom containing dosimeter(s). When film is utilized as the dosimeter, it can be placed in coronal, sagittal, or transverse planes inside the phantom. Because the film is irradiated using the rotational delivery sequence used to treat the patient, the dose given to specific anatomical structures (such as the parotids, spinal cord, bladder, rectum etc...) can be evaluated. Thomas et al (Med Phys 32: 3793-3800) recently reported the results of IMRT verifications for ten patients planned and treated with helical tomotherapy. This study reported that nearly 92% of the film pixels within the analyzed region of interest were within a gamma criterion of 2 mm and 2%. Like most tomotherapy users, Thomas et al used a test phantom made of homogeneous water equivalent material. Heterogeneous phantoms that simulate the different tissue densities in the human body do exist, but are infrequently used for patient-specific IMRT QA. The potential advantage of using heterogeneous phantoms is that the measured dose distributions will more adequately reflect the clinical dose distributions in the patients. The use of homogenous phantoms during IMRT quality assurance can potentially mask errors that arise from limitations in the treatment planning system's modeling of density corrections. The purpose of this study was to evaluate the dosimetric accuracy of a helical tomotherapy system using an anthropomorphic RANDO phantom (The Phantom Laboratory, Salem, NY) for patient-specific QA. The results of this study will allow a benchmark to be established for dosimetric accuracy in heterogeneous materials. Performing patient-specific QA is an integral part of the IMRT patient treatment process. Test phantoms are typically homogeneous, and do test the treatment planning systems ability to account for heterogeneity corrections. In this study, an anthropomorphic RANDO phantom was used to evaluate the doses calculated by a helical tomotherapy system. The dosimetric agreement between calculated and measured was worse than published results in homogenous phantoms, especially for target volumes located in the lung. Further investigation will be needed to determine if these errors are due to film response at heterogeneous tissue interfaces or from actual dose calculation errors. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2016

Understanding the many-body expansion for large systems. II. Accuracy considerations

To complement our study of the role of finite precision in electronic structure calculations based on a truncated many-body expansion (MBE, or “n-body expansion”), we examine the accuracy of such methods in the present work. Accuracy may be defined either with respect to a supersystem calculation computed at the same level of theory as the n-body calculations, or alternatively with respect to high-quality benchmarks. Both metrics are considered here. In applications to a sequence of water clusters, (H{sub 2}O){sub N=6−55} described at the B3LYP/cc-pVDZ level, we obtain mean absolute errors (MAEs) per H{sub 2}O monomer of ∼1.0 kcal/mol for two-body expansions, where the benchmark is a B3LYP/cc-pVDZ calculation on the entire cluster. Three- and four-body expansions exhibit MAEs of 0.5 and 0.1 kcal/mol/monomer, respectively, without resort to charge embedding. A generalized many-body expansion truncated at two-body terms [GMBE(2)], using 3–4 H{sub 2}O molecules per fragment, outperforms all of these methods and affords a MAE of ∼0.02 kcal/mol/monomer, also without charge embedding. GMBE(2) requires significantly fewer (although somewhat larger) subsystem calculations as compared to MBE(4), reducing problems associated with floating-point roundoff errors. When compared to high-quality benchmarks, we find that error cancellation often plays a critical role in the success of MBE(n) calculations, even at the four-body level, as basis-set superposition error can compensate for higher-order polarization interactions. A many-body counterpoise correction is introduced for the GMBE, and its two-body truncation [GMBCP(2)] is found to afford good results without error cancellation. Together with a method such as ωB97X-V/aug-cc-pVTZ that can describe both covalent and non-covalent interactions, the GMBE(2)+GMBCP(2) approach provides an accurate, stable, and tractable approach for large systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Correction to: Superconductor Electronics: Status and Outlook

The original version of the article unfortunately contained errors. The acronyms for conventional Josephson voltage standard (CJVS) and programmable Josephson voltage standard (PJVS) were misspelled as CVJC, PJVC and PVJC.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Establishing precision and accuracy in PDV results

We need to know uncertainties and systematic errors because we create and compare against archival weapons data, we constrain the models, and we provide scientific results. Good estimates of precision from the data record are available and should be incorporated into existing results; reanalysis of valuable data is suggested. Estimates of systematic errors are largely absent. The original work by Jensen et al. using gun shots for window corrections, and the integrated velocity comparison with X-rays by Schultz are two examples where any systematic errors appear to be <1% level.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2011

Constraints on the four-generation quark mixing matrix from a fit to flavor-physics data

In the scenario with four quark generations, we perform a fit using flavor-physics data and determine the allowed values - preferred central values and errors - of all of the elements of the 4x4 quark-mixing matrix. In addition to the direct measurements of some of the elements, we include in the fit the present measurements of several flavor-changing observables in the K and B systems that have small hadronic uncertainties, and also consider the constraints from the vertex corrections to Z{yields}bb. The values taken for the masses of the fourth-generation quarks are consistent with the measurements of the oblique parameters and perturbativity of the Yukawa couplings. We find that |V-tilde{sub tb}|{>=}0.98 at 3{sigma}, so that a fourth generation cannot account for any large deviation of |V{sub tb}| from unity. The fit also indicates that all the new-physics parameters are consistent with zero, and the mixing of the fourth generation with the other three is constrained to be small: we obtain |V-tilde{sub ub}{sup '}|<0.06, |V-tilde{sub cb}{sup '}|<0.027, and |V-tilde{sub tb}{sup '}|<0.31 at 3{sigma}. Still, this does allow for the possibility of new-physics signals in B{sub d}, B{sub s} and rare K decays.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory

Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2010

Deterministic entanglement of two neutral atoms via Rydberg blockade

We demonstrate the deterministic entanglement of two individually addressed neutral atoms using a Rydberg blockade mediated controlled-not gate. Parity oscillation measurements reveal a Bell state fidelity of F=0.58{+-}0.04, which is above the entanglement threshold of F=0.5, without any correction for atom loss, and F=0.71{+-}0.05 after correcting for background collisional losses. The fidelity results are shown to be in good agreement with a detailed error model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Hard X-ray nanofocusing using adaptive focusing optics based on piezoelectric deformable mirrors

An adaptive Kirkpatrick–Baez mirror focusing optics based on piezoelectric deformable mirrors was constructed at SPring-8 and its focusing performance characteristics were demonstrated. By adjusting the voltages applied to the deformable mirrors, the shape errors (compared to a target elliptical shape) were finely corrected on the basis of the mirror shape determined using the pencil-beam method, which is a type of at-wavelength figure metrology in the X-ray region. The mirror shapes were controlled with a peak-to-valley height accuracy of 2.5 nm. A focused beam with an intensity profile having a full width at half maximum of 110 × 65 nm (V × H) was achieved at an X-ray energy of 10 keV.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗