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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Studies of Analytic Evolution of Two-Photon Generalized Distribution Amplitude in QCD

We extend our method of analytic ERBL evolution for the case of distribution amplitudes that have jumps at some points x = {zeta}{sub I} inside the support region 0 < x < 1. As an application of the method, we use it for evolution of the two-photon generalized distribution amplitude. Our approach has advantages over the standard method of expansion in Gegenbauer polynomials, which requires infinite number of terms in order to accuretly reproduce functions in the vicinity of singular points, and over the method of straightforward iteration of initial distribution with evolution kernel which produces logarithmically divergent terms at each iteration. In our method, the logarithmic singularities are summed from the start, which immediately produces a continuous curve, with only one or two iterations needed afterwards in order to get precise results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Temporal resolution and motion artifacts in single-source and dual-source cardiac CT

Purpose: The temporal resolution of a given image in cardiac computed tomography (CT) has so far mostly been determined from the amount of CT data employed for the reconstruction of that image. The purpose of this paper is to examine the applicability of such measures to the newly introduced modality of dual-source CT as well as to methods aiming to provide improved temporal resolution by means of an advanced image reconstruction algorithm. Methods: To provide a solid base for the examinations described in this paper, an extensive review of temporal resolution in conventional single-source CT is given first. Two different measures for assessing temporal resolution with respect to the amount of data involved are introduced, namely, either taking the full width at half maximum of the respective data weighting function (FWHM-TR) or the total width of the weighting function (total TR) as a base of the assessment. Image reconstruction using both a direct fan-beam filtered backprojection with Parker weighting as well as using a parallel-beam rebinning step are considered. The theory of assessing temporal resolution by means of the data involved is then extended to dual-source CT. Finally, three different advanced iterative reconstruction methods that all use the same input data are compared with respect to the resulting motion artifact level. For brevity and simplicity, the examinations are limited to two-dimensional data acquisition and reconstruction. However, all results and conclusions presented in this paper are also directly applicable to both circular and helical cone-beam CT. Results: While the concept of total TR can directly be applied to dual-source CT, the definition of the FWHM of a weighting function needs to be slightly extended to be applicable to this modality. The three different advanced iterative reconstruction methods examined in this paper result in significantly different images with respect to their motion artifact level, despite exactly the same amount of data being used in the reconstruction process. Conclusions: The concept of assessing temporal resolution by means of the data employed for reconstruction can nicely be extended from single-source to dual-source CT. However, for advanced (possibly nonlinear iterative) reconstruction algorithms the examined approach fails to deliver accurate results. New methods and measures to assess the temporal resolution of CT images need to be developed to be able to accurately compare the performance of such algorithms.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

Erratum: “A finite difference Davidson procedure to sidestep full ab initio hessian calculation: Application to characterization of stationary points and transition state searches”

Certain key contributions to the field were not presented in the Introduction section of our recent paper. In addition to the variational method described in Ref. 14 and iterative diagonalization methods in Refs. 15–17, we wish to direct the attention of the reader to other significant efforts that have utilized similar principles for various applications. Reiher and Neugebauer developed a mode-tracking algorithm using the Davidson method for calculating only the modes relevant for vibrational analysis. Similarly, a block-Davidson approach via finite differentiation of the gradient was implemented for calculating hessian-vector products for normal mode analysis. Deglmann and Furche developed a method for stationary point characterization with density functional theory where full solution of all coupled-perturbed Kohn-Sham equations, the bottleneck in hessian calculation, could be avoided through iterative calculation of hessian-vector products to determine only the lowest eigenvalues.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2016

Hierarchical optimization for neutron scattering problems

We present a scalable optimization method for neutron scattering problems that determines confidence regions of simulation parameters in lattice dynamics models used to fit neutron scattering data for crystalline solids. The method uses physics-based hierarchical dimension reduction in both the computational simulation domain and the parameter space. We demonstrate for silicon that after a few iterations the method converges to parameters values (interatomic force-constants) computed with density functional theory simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

SU-E-T-295: Simultaneous Beam Sampling and Aperture Shape Optimization for Station Parameter Optimized Radiation Therapy (SPORT)

Purpose: Station Parameter Optimized Radiation Therapy (SPORT) was recently proposed to fully utilize the technical capability of emerging digital LINACs, in which the station parameters of a delivery system, (such as aperture shape and weight, couch position/angle, gantry/collimator angle) are optimized altogether. SPORT promises to deliver unprecedented radiation dose distributions efficiently, yet there does not exist any optimization algorithm to implement it. The purpose of this work is to propose an optimization algorithm to simultaneously optimize the beam sampling and aperture shapes. Methods: We build a mathematical model whose variables are beam angles (including non-coplanar and/or even nonisocentric beams) and aperture shapes. To solve the resulting large scale optimization problem, we devise an exact, convergent and fast optimization algorithm by integrating three advanced optimization techniques named column generation, gradient method, and pattern search. Column generation is used to find a good set of aperture shapes as an initial solution by adding apertures sequentially. Then we apply the gradient method to iteratively improve the current solution by reshaping the aperture shapes and updating the beam angles toward the gradient. Algorithm continues by pattern search method to explore the part of the search space that cannot be reached by the gradient method. Results: The proposed technique is applied to a series of patient cases and significantly improves the plan quality. In a head-and-neck case, for example, the left parotid gland mean-dose, brainstem max-dose, spinal cord max-dose, and mandible mean-dose are reduced by 10%, 7%, 24% and 12% respectively, compared to the conventional VMAT plan while maintaining the same PTV coverage. Conclusion: Combined use of column generation, gradient search and pattern search algorithms provide an effective way to optimize simultaneously the large collection of station parameters and significantly improves quality of resultant treatment plans as compared with conventional VMAT or IMRT treatments.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

SU-E-T-217: Intrinsic Respiratory Gating in Small Animal CT

Purpose: Preclinical animal models of lung cancer can provide a controlled test-bed for testing dose escalation or function-based-treatment-planning studies. However, to extract lung function, i.e. ventilation, one needs to be able to image the lung at different phases of ventilation (in-hale / ex-hale). Most respiratory-gated imaging using micro-CT involves using an external ventilator and surgical intervention limiting the utility in longitudinal studies. A new intrinsic respiratory retrospective gating method was developed and tested in mice. Methods: A fixed region of interest (ROI) that covers the diaphragm was selected on all projection images to estimate the mean intensity (M). The mean intensity depends on the projection angle and diaphragm position. A 3-point moving average (A) of consecutive M values: Mpre, Mcurrent and Mpost, was calculated to be subtracted from Mcurrent. A fixed threshold was used to enable amplitude based sorting into 4 different phases of respiration. Images at full-inhale and end-exhale phases of respiration were reconstructed using the open source OSCaR. Lung volumes estimated at the 2 phases of respiration were validated against literature values. Results: Intrinsic retrospective gating was accomplished without the use of any external breathing waveform. While projection images were acquired at 360 different angles. Only 138 and 104 projections were used to reconstruct images at full-inhale and end-exhale. This often results in non-uniform under-sampled angular projections leading to some minor streaking artifacts. The calculated expiratory, inspiratory and tidal lung volumes correlated well with the values known from the literature. Conclusion: Our initial result demonstrates an intrinsic gating method that is suitable for flat panel cone beam small animal CT systems. Reduction in streaking artifacts can be accomplished by oversampling the data or using iterative reconstruction methods. This initial experience will enable freebreathing small animal micro-CT imaging to fuel longitudinal studies of lung function.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

A tightly-coupled domain-decomposition approach for highly nonlinear stochastic multiphysics systems

Multiphysics simulations often involve nonlinear components that are driven by internally generated or externally imposed random fluctuations. When used with a domain-decomposition (DD) algorithm, such components have to be coupled in a way that both accurately propagates the noise between the subdomains and lends itself to a stable and cost-effective temporal integration. We develop a conservative DD approach in which tight coupling is obtained by using a Jacobian-free Newton–Krylov (JfNK) method with a generalized minimum residual iterative linear solver. This strategy is tested on a coupled nonlinear diffusion system forced by a truncated Gaussian noise at the boundary. Enforcement of path-wise continuity of the state variable and its flux, as opposed to continuity in the mean, at interfaces between subdomains enables the DD algorithm to correctly propagate boundary fluctuations throughout the computational domain. Reliance on a single Newton iteration (explicit coupling), rather than on the fully converged JfNK (implicit) coupling, may increase the solution error by an order of magnitude. Increase in communication frequency between the DD components reduces the explicit coupling's error, but makes it less efficient than the implicit coupling at comparable error levels for all noise strengths considered. Finally, the DD algorithm with the implicit JfNK coupling resolves temporally-correlated fluctuations of the boundary noise when the correlation time of the latter exceeds some multiple of an appropriately defined characteristic diffusion time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Atomic resolution coherent x-ray imaging with physics-based phase retrieval

Coherent x-ray imaging and scattering from accelerator based sources such as synchrotrons continue to impact biology, medicine, technology, and materials science. Many synchrotrons around the world are currently undergoing major upgrades to increase their available coherent x-ray flux by approximately two orders of magnitude. The improvement of synchrotrons may enable imaging of materials in operando at the atomic scale which may revolutionize battery and catalysis technologies. Current algorithms used for phase retrieval in coherent x-ray imaging are based on the projection onto sets method. These traditional iterative phase retrieval methods will become more computationally expensive as they push towards atomic resolution and may struggle to converge. Additionally, these methods do not incorporate physical information that may additionally constrain the solution. In this work, we present an algorithm which incorporates molecular dynamics into Bragg coherent diffraction imaging (BCDI). This algorithm, which we call PRAMMol (Phase Retrieval with Atomic Modeling and Molecular Dynamics) combines statistical techniques with molecular dynamics to solve the phase retrieval problem. We present several examples where our algorithm is applied to simulated coherent diffraction from 3D crystals and show convergence to the correct solution at the atomic scale.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Discontinuous Finite Element Quasidiffusion Methods

Here in this paper, two-level methods for solving transport problems in one-dimensional slab geometry based on the quasi-diffusion (QD) method are developed. A linear discontinuous finite element method (LDFEM) is derived for the spatial discretization of the low-order QD (LOQD) equations. It involves special interface conditions at the cell edges based on the idea of QD boundary conditions (BCs). We consider different kinds of QD BCs to formulate the necessary cell-interface conditions. We develop two-level methods with independent discretization of the high-order transport equation and LOQD equations, where the transport equation is discretized using the method of characteristics and the LDFEM is applied to the LOQD equations. We also formulate closures that lead to the discretization consistent with a LDFEM discretization of the transport equation. The proposed methods are studied by means of test problems formulated with the method of manufactured solutions. Numerical experiments are presented demonstrating the performance of the proposed methods. Lastly, we also show that the method with independent discretization has the asymptotic diffusion limit.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

A TWO-MOMENT RADIATION HYDRODYNAMICS MODULE IN ATHENA USING A TIME-EXPLICIT GODUNOV METHOD

We describe a module for the Athena code that solves the gray equations of radiation hydrodynamics (RHD), based on the first two moments of the radiative transfer equation. We use a combination of explicit Godunov methods to advance the gas and radiation variables including the non-stiff source terms, and a local implicit method to integrate the stiff source terms. We adopt the M{sub 1} closure relation and include all leading source terms to O({beta}{tau}). We employ the reduced speed of light approximation (RSLA) with subcycling of the radiation variables in order to reduce computational costs. Our code is dimensionally unsplit in one, two, and three space dimensions and is parallelized using MPI. The streaming and diffusion limits are well described by the M{sub 1} closure model, and our implementation shows excellent behavior for a problem with a concentrated radiation source containing both regimes simultaneously. Our operator-split method is ideally suited for problems with a slowly varying radiation field and dynamical gas flows, in which the effect of the RSLA is minimal. We present an analysis of the dispersion relation of RHD linear waves highlighting the conditions of applicability for the RSLA. To demonstrate the accuracy of our method, we utilize a suite of radiation and RHD tests covering a broad range of regimes, including RHD waves, shocks, and equilibria, which show second-order convergence in most cases. As an application, we investigate radiation-driven ejection of a dusty, optically thick shell in the ISM. Finally, we compare the timing of our method with other well-known iterative schemes for the RHD equations. Our code implementation, Hyperion, is suitable for a wide variety of astrophysical applications and will be made freely available on the Web.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Spectral partitioning with blends of eigenvectors

We report many common methods for data analysis rely on linear algebra. We provide new results connecting data analysis error to numerical accuracy in the context of spectral graph partitioning. We provide pointwise convergence guarantees so that spectral blends (linear combinations of eigenvectors) can be employed to solve data analysis problems with confidence in their accuracy. We apply this theory to an accessible model problem, the ring of cliques, by deriving the relevant eigenpairs and finding necessary and sufficient solver tolerances. Analysis of the ring of cliques provides an upper bound on eigensolver tolerances for graph partitioning problems. These results bridge the gap between linear algebra based data analysis methods and the convergence theory of iterative approximation methods. These results explain how the combinatorial structure of a problem can be recovered much faster than numerically accurate solutions to the associated linear algebra problem.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Evaluating the Performance of Random Forest and Iterative Random Forest Based Methods when Applied to Gene Expression Data

Gene-to-gene networks, such as Gene Regulatory Networks (GRN) and Predictive Expression Networks (PEN) capture relationships between genes and are beneficial for use in downstream biological analyses. There exists multiple network inference tools to produce these gene-to-gene networks from matrices of gene expression data. Random Forest-Leave One Out Prediction (RF-LOOP) is a method that has been shown to be efficient at producing these gene-to-gene networks, frequently known as GEne Network Inference with Ensemble of trees (GENIE3). Here we validate that iterative Random Forest-Leave One Out Prediction (iRF-LOOP) produces higher quality networks than GENIE3. We use both synthetic and empirical networks from the Dialogue for Reverse Engineering Assessment and Methods (DREAM) Challenges by Sage Bionetworks, as well as two additional empirical networks created from Arabidopsis thaliana and Populus trichocarpa expression data.

iRF-Loop, expression network, Populus Trichocarpa↗
DOE OSTI2014

SU-E-I-72: First Experimental Study of On-Board CBCT Imaging Using 2.5MV Beam On a Radiotherapy Linac

Purpose: Varian TrueBeam version 2.0 comes with a new inline 2.5MV beam modality for image guided patient setup. In this work we develop an iterative volumetric image reconstruction technique specific to the beam and investigate the possibility of obtaining metal artifact free CBCT images using the new imaging modality. Methods: An iterative reconstruction algorithm with a sparse representation constraint based on dictionary learning is developed, in which both sparse projection and low dose rate (10 MU/min) are considered. Two CBCT experiments were conducted using the newly available 2.5MV beam on a Varian TrueBeam linac. First, a Rando anthropomorphic head phantom with and without a copper bar inserted in the center was scanned using both 2.5MV and kV (100kVp) beams. In a second experiment, an MRI phantom with many coils was scanned using 2.5MV, 6MV, and kV (100kVp) beams. Imaging dose and the resultant image quality is studied. Results: Qualitative assessment suggests that there were no visually detectable metal artifacts in MV CBCT images, compared with significant metal artifacts in kV CBCT images, especially in the MRI phantom. For a region near the metal object in the head phantom, the 2.5MV CBCT gave a more accurate quantification of the electron density compared with kV CBCT, with a ∼50% reduction in mean HU error. As expected, the contrast between bone and soft-tissue in 2.5MV CBCT decreased compared with kV CBCT. Conclusion: On-board CBCT imaging with the new 2.5MV beam can effectively reduce metal artifacts, although with a reduced softtissue contrast. Combination of kV and MV scanning may lead to metal artifact free CBCT images with uncompromised soft-tissue contrast.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Evaluating the performance of random forest and iterative random forest based methods when applied to gene expression data

Gene-to-gene networks, such as Gene Regulatory Networks (GRN) and Predictive Expression Networks (PEN) capture relationships between genes and are beneficial for use in downstream biological analyses. There exists multiple network inference tools to produce these gene-to-gene networks from matrices of gene expression data. Random Forest-Leave One Out Prediction (RF-LOOP) is a method that has been shown to be efficient at producing these gene-to-gene networks, frequently known as GEne Network Inference with Ensemble of trees (GENIE3). Random Forest can be replaced in this process by iterative Random Forest (iRF), which performs variable selection and boosting. Here we validate that iterative Random Forest-Leave One Out Prediction (iRF-LOOP) produces higher quality networks than GENIE3 (RF-LOOP). We use both synthetic and empirical networks from the Dialogue for Reverse Engineering Assessment and Methods (DREAM) Challenges by Sage Bionetworks, as well as two additional empirical networks created from Arabidopsis thaliana and Populus trichocarpa expression data.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Improved tomographic reconstruction of large-scale real-world data by filter optimization

In advanced tomographic experiments, large detector sizes and large numbers of acquired datasets can make it difficult to process the data in a reasonable time. At the same time, the acquired projections are often limited in some way, for example having a low number of projections or a low signal-to-noise ratio. Direct analytical reconstruction methods are able to produce reconstructions in very little time, even for large-scale data, but the quality of these reconstructions can be insufficient for further analysis in cases with limited data. Iterative reconstruction methods typically produce more accurate reconstructions, but take significantly more time to compute, which limits their usefulness in practice. In this paper, we present the application of the SIRT-FBP method to large-scale real-world tomographic data. The SIRT-FBP method is able to accurately approximate the simultaneous iterative reconstruction technique (SIRT) method by the computationally efficient filtered backprojection (FBP) method, using precomputed experiment-specific filters. We specifically focus on the many implementation details that are important for application on large-scale real-world data, and give solutions to common problems that occur with experimental data. We show that SIRT-FBP filters can be computed in reasonable time, even for large problem sizes, and that precomputed filters can be reused for future experiments. Reconstruction results are given for three different experiments, and are compared with results of popular existing methods. The results show that the SIRT-FBP method is able to accurately approximate iterative reconstructions of experimental data. Furthermore, they show that, in practice, the SIRT-FBP method can produce more accurate reconstructions than standard direct analytical reconstructions with popular filters, without increasing the required computation time.

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

Influence of AC Loss on Stress and Strain of Superconducting Coils

The second-generation (2G) high-temperature superconducting (HTS) coated conductors (CC) are increasingly used in power systems recently, especially in large-capacity superconducting magnetic energy storage (SMES). HTSCC in superconducting energy storage coil is subjected to thermal stress which is caused by thermal contraction due to AC loss. The thermal stress will degrade the critical currents and may cause the displacement of the superconducting coil and insulating epoxy resin. In this work, the AC loss of the superconducting coil is firstly obtained by finite element method (FEM) software COMSOL with the method of iterative conductivity. Furthermore, the effect of AC loss on the superconducting coil is thus analyzed by solving the coupling problems which include magnetic field, mechanical behaviors, and heat transfer in solids. The result shows that the AC loss of the superconducting coil is concentrated in the middle of the coil and the maximum AC loss density is 5.96 × 10{sup 5} W/m{sup 3}; the maximum stress laid at the inner radius of the coil and the maximum stress is 0.01 MPa.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

WE-EF-303-03: A New Aperture-Based Imaging System for Prompt-Gamma Range Verification of Proton Beam Therapy

Purpose: To develop and characterize a novel aperture-based imaging system for high-energy gamma-rays. This collimated system will provide 2-dimensional imaging capability for verification of proton beam range and Bragg peak dose via prompt-gamma detection. Methods: A multi-knife-edge slit collimator has been designed, constructed, and characterized via simulations and experimental measurements. The 20×20×7.5 cm{sup 3} tungsten collimator and accompanying LSO scintillation detector were simulated using the TOPAS Geant4 -based Monte Carlo package. Iterative reconstruction methods were combined with point response functions to characterize the imaging performance of the system. The response of the system has begun to be characterized experimentally as well, using 2.6 MeV gamma-rays from Th-228. Results: Both simulation and experimental results indicate that this collimated system provides 2-D imaging capability in the energy range of interest for prompt-gamma dose verification. In the current configuration, with collimator to source distance of 13 cm, image reconstruction of point sources resulted in spatial resolution (FWHM) of approximately 4 mm in both x-and y-directions in the imaging plane. The accuracy of positioning the point sources is less than 1 mm. Conclusion: This work has characterized, via simulation and measurements, a novel multi-knife-edge slit collimator in front of a more conventional position-sensitive LSO scintillator detector. The multi-slit pattern is designed to increase detection efficiency and provide spatial information in 2-dimensions -- an improvement over a single-slit collimator design. The thickness and density of the collimator will allow this detection system to perform well in an environment with high gamma flux, while ultimately providing peak determination accuracy on the order of 1 mm. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number: DE-NA0000979 through the Nuclear Science and Security Consortium.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

MO-C-18A-01: Advances in Model-Based 3D Image Reconstruction

Recent years have seen the emergence of CT image reconstruction techniques that exploit physical models of the imaging system, photon statistics, and even the patient to achieve improved 3D image quality and/or reduction of radiation dose. With numerous advantages in comparison to conventional 3D filtered backprojection, such techniques bring a variety of challenges as well, including: a demanding computational load associated with sophisticated forward models and iterative optimization methods; nonlinearity and nonstationarity in image quality characteristics; a complex dependency on multiple free parameters; and the need to understand how best to incorporate prior information (including patient-specific prior images) within the reconstruction process. The advantages, however, are even greater – for example: improved image quality; reduced dose; robustness to noise and artifacts; task-specific reconstruction protocols; suitability to novel CT imaging platforms and noncircular orbits; and incorporation of known characteristics of the imager and patient that are conventionally discarded. This symposium features experts in 3D image reconstruction, image quality assessment, and the translation of such methods to emerging clinical applications. Dr. Chen will address novel methods for the incorporation of prior information in 3D and 4D CT reconstruction techniques. Dr. Pan will show recent advances in optimization-based reconstruction that enable potential reduction of dose and sampling requirements. Dr. Stayman will describe a “task-based imaging” approach that leverages models of the imaging system and patient in combination with a specification of the imaging task to optimize both the acquisition and reconstruction process. Dr. Samei will describe the development of methods for image quality assessment in such nonlinear reconstruction techniques and the use of these methods to characterize and optimize image quality and dose in a spectrum of clinical applications. Learning Objectives: Learn the general methodologies associated with model-based 3D image reconstruction. Learn the potential advantages in image quality and dose associated with model-based image reconstruction. Learn the challenges associated with computational load and image quality assessment for such reconstruction methods. Learn how imaging task can be incorporated as a means to drive optimal image acquisition and reconstruction techniques. Learn how model-based reconstruction methods can incorporate prior information to improve image quality, ease sampling requirements, and reduce dose.

60 APPLIED LIFE SCIENCES↗