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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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

TH-E-BRE-04: An Online Replanning Algorithm for VMAT

Purpose: To develop a fast replanning algorithm based on segment aperture morphing (SAM) for online replanning of volumetric modulated arc therapy (VMAT) with flattening filtered (FF) and flattening filter free (FFF) beams. Methods: A software tool was developed to interface with a VMAT planning system ((Monaco, Elekta), enabling the output of detailed beam/machine parameters of original VMAT plans generated based on planning CTs for FF or FFF beams. A SAM algorithm, previously developed for fixed-beam IMRT, was modified to allow the algorithm to correct for interfractional variations (e.g., setup error, organ motion and deformation) by morphing apertures based on the geometric relationship between the beam's eye view of the anatomy from the planning CT and that from the daily CT for each control point. The algorithm was tested using daily CTs acquired using an in-room CT during daily IGRT for representative prostate cancer cases along with their planning CTs. The algorithm allows for restricted MLC leaf travel distance between control points of the VMAT delivery to prevent SAM from increasing leaf travel, and therefore treatment delivery time. Results: The VMAT plans adapted to the daily CT by SAM were found to improve the dosimetry relative to the IGRT repositioning plans for both FF and FFF beams. For the adaptive plans, the changes in leaf travel distance between control points were < 1cm for 80% of the control points with no restriction. When restricted to the original plans' maximum travel distance, the dosimetric effect was minimal. The adaptive plans were delivered successfully with similar delivery times as the original plans. The execution of the SAM algorithm was < 10 seconds. Conclusion: The SAM algorithm can quickly generate deliverable online-adaptive VMAT plans based on the anatomy of the day for both FF and FFF beams.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

GapMind: Automated Annotation of Amino Acid Biosynthesis

ABSTRACT GapMind is a Web-based tool for annotating amino acid biosynthesis in bacteria and archaea ( http://papers.genomics.lbl.gov/gaps ). GapMind incorporates many variant pathways and 130 different reactions, and it analyzes a genome in just 15 s. To avoid error-prone transitive annotations, GapMind relies primarily on a database of experimentally characterized proteins. GapMind correctly handles fusion proteins and split proteins, which often cause errors for best-hit approaches. To improve GapMind’s coverage, we examined genetic data from 35 bacteria that grow in defined media without amino acids, and we filled many gaps in amino acid biosynthesis pathways. For example, we identified additional genes for arginine synthesis with succinylated intermediates in Bacteroides thetaiotaomicron , and we propose that Dyella japonica synthesizes tyrosine from phenylalanine. Nevertheless, for many bacteria and archaea that grow in minimal media, genes for some steps still cannot be identified. To help interpret potential gaps, GapMind checks if they match known gaps in related microbes that can grow in minimal media. GapMind should aid the identification of microbial growth requirements. IMPORTANCE Many microbes can make all of the amino acids (the building blocks of proteins). In principle, we should be able to predict which amino acids a microbe can make, and which it requires as nutrients, by checking its genome sequence for all of the necessary genes. However, in practice, it is difficult to check for all of the alternative pathways. Furthermore, new pathways and enzymes are still being discovered. We built an automated tool, GapMind, to annotate amino acid biosynthesis in bacterial and archaeal genomes. We used GapMind to list gaps: cases where a microbe makes an amino acid but a complete pathway cannot be identified in its genome. We used these gaps, together with data from mutants, to identify new pathways and enzymes. However, for most bacteria and archaea, we still do not know how they can make all of the amino acids.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Machine Learning for Solar Technology Portfolio Management

Technology readiness level (TRL) labeling and forecasting today is done entirely manually. A computationally-assisted model of a TRL-like classification for estimation and tracking could enable a research and development (R&D) portfolio manager to more accurately estimate the relative level of development for technologies in that portfolio. This report describes the work to understand readiness level systems, train a machine learning algorithm to recognize textual indicators of particular readiness levels within written material from carefully chosen case studies in renewable technology development, and apply that algorithm to predict the readiness levels of other technology development cases. We account for the results of each step of the work conducted, including the predictive accuracy of the trained model: 54% correct, within a +/-1 readiness level error threshold and a root mean squared error of 1.88. Great potential remains to improve and apply this model for management of individual projects and across portfolios.

14 SOLAR ENERGY↗
DOE OSTI2019

Machine Learning for Solar Technology Portfolio Management

Technology readiness level (TRL) labeling and forecasting today is done entirely manually. A computationally-assisted model of a TRL-like classification for estimation and tracking could enable a research and development (R&D) portfolio manager to more accurately estimate the relative level of development for technologies in that portfolio. This report describes the work to understand readiness level systems, train a machine learning algorithm to recognize textual indicators of particular readiness levels within written material from carefully chosen case studies in renewable technology development, and apply that algorithm to predict the readiness levels of other technology development cases. We account for the results of each step of the work conducted, including the predictive accuracy of the trained model: 54% correct, within a +/-1 readiness level error threshold and a root mean squared error of 1.88. Great potential remains to improve and apply this model for management of individual projects and across portfolios.

14 SOLAR ENERGY↗
DOE OSTI2019

Characterization of Hanford LAW Phase 3 Glasses

This report provides analyses of glass compositions, wash solution compositions, and Product Consistency Test (PCT) leachate compositions for a series of simulated low-activity waste (LAW) glasses fabricated at the Pacific Northwest National Laboratory (PNNL). These data will be used in the development of improved property/composition models for LAW glass at Hanford. Chemical analyses were performed on a representative sample of each of the quenched and sulfur saturated glasses to allow for comparisons with the targeted compositions. For some of the quenched glasses, measured concentrations of Cr 2 O 3 , K 2 O, Na 2 O, P 2 O 5 , and ZrO 2 were below the targeted values. For some of the sulfur saturated glasses, the measured concentrations of Al 2 O 3 , Cl - , Cr 2 O 3 , F - , K 2 O, Na 2 O, P 2 O 5 , V 2 O 5 , and ZrO 2 were generally low relative to the targeted values. A comparison of the measured compositions of the quenched and sulfur saturated versions of the study glasses showed that the measured concentrations of Al 2 O 3 , Cl - , and F - were lower for most of the sulfur saturated glasses. The measured Cr 2 O 3 and K 2 O concentrations were markedly lower for the sulfur saturated versions of the glasses as compared to the quenched versions, which may indicate that these elements partitioned to the soluble sulfur salts. A set of modified glasses was received from PNNL later in this study. Chemical analysis showed that these glasses generally met their targeted compositions. The measured SO 3 concentrations were higher for most of the sulfur saturated glasses relative to those of the quenched versions, as expected. Chemical analysis of the wash solutions that resulted from preparation of the sulfur saturated melts identified Cr, K, Na, P, S, and V as the major elements in solution. With the exception of sulfur, this may explain why the measured concentrations of these components in the study glasses were generally below the targeted values. PNNL performed PCTs on quenched and canister centerline cooled (CCC) versions of the study glasses, as well as the modified glasses. The leachates were sent to SRNL for chemical analysis. Minor scatter in the measured values among the triplicate samples for each glass was noted, with significant differences among the triplicate values noted for four of the CCC glasses. Normalized concentration values for some of the study glasses were greater than the 100 g/L maximum (total dissolution), which may indicate an error in the test. It is recommended that PNNL review the performance of the PCTs to determine the cause of these potential outliers and errors. Revision 1 of this report: Corrects an issue with high chromium measurements for the Mod glass compositions and the second set of PCT leachates, Adds data for the Mod glass wash solutions that were unintentionally omitted, Corrects an issue with rounding of the targeted Al 2 O 3 concentrations in the study glasses

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Amended results for hard X-ray emission by non-thermal thick target recombination in solar flares

Brown and Mallik and the corresponding corrigendum Brown et al. presented expressions for non-thermal recombination (NTR) in the collisionally thin- and thick-target regimes, claiming that the process could account for a substantial part of the hard X-ray continuum in solar flares usually attributed entirely to thermal and non-thermal bremsstrahlung (NTB). However, we have found the thick-target expression to become unphysical for low cut-offs in the injected electron energy spectrum. We trace this to an error in the derivation, derive a corrected version that is real-valued and continuous for all photon energies and cut-offs, and show that, for thick targets, Brown et al. overestimated NTR emission at small photon energies. The regime of small cut-offs and large spectral indices involve large (reducing) correction factors but in some other thick-target parameter regimes NTR/NTB can still be of the order of unity. We comment on the importance of these results to flare and microflare modeling and spectral fitting. An empirical fit to our results shows that the peak NTR contribution comprises over half of the hard X-ray signal if δ≳6(((E{sub 0c})/(4keV))){sup 0.4}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

The Road to Useful Quantum Computers

Building a useful quantum computer is a grand science and engineering challenge, currently pursued intensely by teams around the world. In the 1980s, Richard Feynman and Yuri Manin observed independently that computers based on quantum mechanics might enable better simulations of quantum phenomena. Their vision remained an intellectual curiosity until Peter Shor published his famous quantum algorithm for integer factoring, and shortly thereafter a proof that errors in quantum computations can be corrected. Since then, quantum computing R&D has progressed rapidly, from small-scale experiments in university physics laboratories to well-funded industrial efforts and prototypes. Hype notwithstanding, quantum computers have yet to solve scientifically or practically important problems -- a target often called quantum utility. In this article, we describe the capabilities of contemporary quantum computers, compare them to the requirements of quantum utility, and illustrate how to track progress from today to utility. We highlight key science and engineering challenges on the road to quantum utility, touching on relevant aspects of our own research.

Emerging Technologies (cs.ET)↗
DOE OSTI2022

Evaluation of obstacle modelling approaches for resource assessment and small wind turbine siting: case study in the northern Netherlands

Abstract. Growth in adoption of distributed wind turbines for energy generation is significantly impacted by challenges associated with siting and accurate estimation of the wind resource. Small turbines, at hub heights of 40 m or less, are greatly impacted by terrestrial obstacles such as built structures and vegetation that can cause complex wake effects. While some progress in high-fidelity complex fluid dynamics (CFD) models has increased the potential accuracy for modelling the impacts of obstacles on turbulent wind flow, these models are too computationally expensive for practical siting and resource assessment applications. To understand the efficacy of available models in situ, this study evaluates classic and commonly used methods alongside new state-of-the-art lower-order models derived from CFD simulations and machine learning approaches. This evaluation is conducted using a subset of an extensive original dataset of measurements from more than 300 operational wind turbines in the northern Netherlands. The results show that data-driven methods (e.g. machine learning and statistical modelling) are most effective at predicting production at real sites with an average error in annual energy production of 2.5 %. When sufficient data may not be available de novo to support these data-driven approaches, models derived from high-fidelity simulations show promise and reliably outperform classic methods. On average these models have 6.3 %–11.5 % error compared with 26 % for classic methods and 27 % baseline error for reanalysis data without obstacle correction. While more performant on average, these methods are also sensitive to the quality of obstacle descriptions and reanalysis inputs.

17 WIND ENERGY↗
DOE OSTI2018

Long-haul high rate quantum key distribution

Multiple bit values can be encoded on a single photon in a quantum key distribution (QKD) system using a plurality of sidebands of an optical carrier frequency. Computational and conjugate bases can be defined, and photons decoded based on a selected state from either basis. If n sidebands are available, as many as log.sub.2n bits can be encoded on a single photon. Errors in detected bit values due to selection of an incorrect basis state or other errors can be at least partially corrected by bit distillation to identity bit strings for which a transmitter and a receiver record the same values, without insecure transmission of these values.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Long-haul high rate quantum key distribution

Multiple bit values can be encoded on a single photon in a quantum key distribution (QKD) system using a plurality of sidebands of an optical carrier frequency. Computational and conjugate bases can be defined, and photons decoded based on a selected state from either basis. If n sidebands are available, as many as log2 n bits can be encoded on a single photon. Errors in detected bit values due to selection of an incorrect basis state or other errors can be at least partially corrected by bit distillation to identity bit strings for which a transmitter and a receiver record the same values, without insecure transmission of these values.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Long-haul high rate quantum key distribution

Multiple bit values can be encoded on a single photon in a quantum key distribution (QKD) system using a plurality of sidebands of an optical carrier frequency. Computational and conjugate bases can be defined, and photons decoded based on a selected state from either basis. If n sidebands are available, as many as log2n bits can be encoded on a single photon. Errors in detected bit values due to selection of an incorrect basis state or other errors can be at least partially corrected by bit distillation to identity bit strings for which a transmitter and a receiver record the same values, without insecure transmission of these values.

Nordholt, Jane Elizabeth↗
DOE OSTI2014

Evaluation of dual energy quantitative CT for determining the spatial distributions of red marrow and bone for dosimetry in internal emitter radiation therapy

Purpose: To evaluate a three-equation three-unknown dual-energy quantitative CT (DEQCT) technique for determining region specific variations in bone spongiosa composition for improved red marrow dose estimation in radionuclide therapy. Methods: The DEQCT method was applied to 80/140 kVp images of patient-simulating lumbar sectional body phantoms of three sizes (small, medium, and large). External calibration rods of bone, red marrow, and fat-simulating materials were placed beneath the body phantoms. Similar internal calibration inserts were placed at vertebral locations within the body phantoms. Six test inserts of known volume fractions of bone, fat, and red marrow were also scanned. External-to-internal calibration correction factors were derived. The effects of body phantom size, radiation dose, spongiosa region segmentation granularity [single (∼17 × 17 mm) region of interest (ROI), 2 × 2, and 3 × 3 segmentation of that single ROI], and calibration method on the accuracy of the calculated volume fractions of red marrow (cellularity) and trabecular bone were evaluated. Results: For standard low dose DEQCT x-ray technique factors and the internal calibration method, the RMS errors of the estimated volume fractions of red marrow of the test inserts were 1.2–1.3 times greater in the medium body than in the small body phantom and 1.3–1.5 times greater in the large body than in the small body phantom. RMS errors of the calculated volume fractions of red marrow within 2 × 2 segmented subregions of the ROIs were 1.6–1.9 times greater than for no segmentation, and RMS errors for 3 × 3 segmented subregions were 2.3–2.7 times greater than those for no segmentation. Increasing the dose by a factor of 2 reduced the RMS errors of all constituent volume fractions by an average factor of 1.40 ± 0.29 for all segmentation schemes and body phantom sizes; increasing the dose by a factor of 4 reduced those RMS errors by an average factor of 1.71 ± 0.25. Results for external calibrations exhibited much larger RMS errors than size matched internal calibration. Use of an average body size external-to-internal calibration correction factor reduced the errors to closer to those for internal calibration. RMS errors of less than 30% or about 0.01 for the bone and 0.1 for the red marrow volume fractions would likely be satisfactory for human studies. Such accuracies were achieved for 3 × 3 segmentation of 5 mm slice images for: (a) internal calibration with 4 times dose for all size body phantoms, (b) internal calibration with 2 times dose for the small and medium size body phantoms, and (c) corrected external calibration with 4 times dose and all size body phantoms. Conclusions: Phantom studies are promising and demonstrate the potential to use dual energy quantitative CT to estimate the spatial distributions of red marrow and bone within the vertebral spongiosa.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

CBETA 4-pass Orbit Correction and Tolerance Study (CBETA Machine Note #037)

The main goal of this study is to find the tolerance of the CBETA FFAG lattice subjected to various errors. Common error sources include non-ideal magnet positioning and alignment, undesired multipole field strengths, and BPM offsets. In order to fix the beam trajectories (orbits) affected by the errors, dipole kickers have been allocated throughout the FFAG beamline to serve as correctors. Since there are four coexisting orbits in the FFAG, the correction scheme must aim to correct all four of them simultaneously. The simulation is performed using Bmad, developed by Cornell University to model relativistic beam dynamics in customized accelerator lattices. The core of orbit correction is the singular value decomposition (SVD) optimization. As the error magnitudes increase, the beam size and emittance after correction could undesirably increase, and our goal is to find the "individual limit" of each error type beyond which the increases become unacceptable. Typically this limit is reached before the orbits become un-correctable. Similarly we can also find the "combined limit" of various errors. Both limits will be properly defined in the later section.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Correction to “From Structure to Function: Zn/Mn-Modified Maghemite as an Advanced Nanoplatform for Magnetic Hyperthermia and Radionuclide Therapy”

In the original paper, the acknowledgment contained an error in the attribution of the financial support. The correction is necessary to accurately reflect the source of funding that supported the contributions of the authors from the Institute of Physics Belgrade. The corrected Acknowledgments section is below. Here, this correction pertains solely to the funding acknowledgment and does not affect the scientific content, data, results, or conclusion of the work in any way.

Cancer therapy↗
DOE OSTI2024

How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?

Recently developed locally scaled self-interaction correction (LSIC) is a one-electron SIC method that, when used with a ratio of kinetic energy densities (z σ ) as iso-orbital indicator, performs remarkably well for both thermochemical properties as well as for barrier heights overcoming the paradoxical behavior of the well-known Perdew–Zunger self-interaction correction (PZSIC) method. In this work, we examine how well the LSIC method performs for the delocalization error. Our results show that both LSIC and PZSIC methods correctly describe the dissociation of $H$$^{+}_{2}$ and $H$$^{+}_{2}$ but LSIC is overall more accurate than the PZSIC method. Likewise, in the case of the vertical ionization energy of an ensemble of isolated He atoms, the LSIC and PZSIC methods do not exhibit delocalization errors. For the fractional charges, both LSIC and PZSIC significantly reduce the deviation from linearity in the energy vs number of electrons curve, with PZSIC performing superior for C, Ne, and Ar atoms while for Kr they perform similarly. The LSIC performs well at the endpoints (integer occupations) while substantially reducing the deviation. The dissociation of LiF shows both LSIC and PZSIC dissociate into neutral Li and F but only LSIC exhibits charge transfer from Li + to F – at the expected distance from the experimental data and accurate ab initio data. Overall, both the PZSIC and LSIC methods reduce the delocalization errors substantially.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Assessing the accuracy of quantum Monte Carlo and density functional theory for energetics of small water clusters

We propose a detailed study of the energetics of water clusters (H 2 O) n with n ≤ 6, comparing diffusion Monte Carlo (DMC) and approximate density functional theory (DFT) with well converged coupled-cluster benchmarks. We use the many-body decomposition of the total energy to classify the errors of DMC and DFT into 1-body, 2-body and beyond-2-body components. Using both equilibrium cluster configurations and thermal ensembles of configurations, we believe DMC to be uniformly much more accurate than DFT, partly because some of the approximate functionals give poor 1-body distortion energies. Even when these are corrected, DFT remains considerably less accurate than DMC. When both 1- and 2-body errors of DFT are corrected, some functionals compete in accuracy with DMC; however, other functionals remain worse, demonstrating that they suffer from significant beyond-2-body errors. Combining the evidence presented here with the recently demonstrated high accuracy of DMC for ice structures, we suggest how DMC can now be used to provide benchmarks for larger clusters and for bulk liquid water.

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

A method to correct coordinate distortion in EBSD maps

Drift during electron backscatter diffraction mapping leads to coordinate distortions in resulting orientation maps, which affects, in some cases significantly, the accuracy of analysis. A method, thin plate spline, is introduced and tested to correct such coordinate distortions in the maps after the electron backscatter diffraction measurements. The accuracy of the correction as well as theoretical and practical aspects of using the thin plate spline method is discussed in detail. By comparing with other correction methods, it is shown that the thin plate spline method is most efficient to correct different local distortions in the electron backscatter diffraction maps. - Highlights: • A new method is suggested to correct nonlinear spatial distortion in EBSD maps. • The method corrects EBSD maps more precisely than presently available methods. • Errors less than 1–2 pixels are typically obtained. • Direct quantitative analysis of dynamic data are available after this correction.

36 MATERIALS SCIENCE↗