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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

A verification regime for the spatial discretization of the SN transport equations

The order-of-accuracy test in conjunction with the method of manufactured solutions is the current state of the art in computer code verification. In this work we investigate the application of a verification procedure including the order-of-accuracy test on a generic SN transport solver that implements the AHOTN spatial discretization. Different types of semantic errors, e.g. removal of a line of code or changing a single character, are introduced randomly into the previously verified S{sub N} code and the proposed verification procedure is used to identify the coding mistakes (if possible) and classify them. Itemized by error type we record the stage of the verification procedure where the error is detected and report the frequency with which the errors are correctly identified at various stages of the verification. Errors that remain undetected by the verification procedure are further scrutinized to determine the reason why the introduced coding mistake eluded the verification procedure. The result of this work is that the verification procedure based on an order-of-accuracy test finds almost all detectable coding mistakes but rarely, 1.44% of the time, and under certain circumstances can fail. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

An efficient computational approach to model statistical correlations in photon counting x-ray detectors

Purpose: To introduce and evaluate an increment matrix approach (IMA) describing the signal statistics of energy-selective photon counting detectors including spatial–spectral correlations between energy bins of neighboring detector pixels. The importance of the occurring correlations for image-based material decomposition is studied. Methods: An IMA describing the counter increase patterns in a photon counting detector is proposed. This IMA has the potential to decrease the number of required random numbers compared to Monte Carlo simulations by pursuing an approach based on convolutions. To validate and demonstrate the IMA, an approximate semirealistic detector model is provided, simulating a photon counting detector in a simplified manner, e.g., by neglecting count rate-dependent effects. In this way, the spatial–spectral correlations on the detector level are obtained and fed into the IMA. The importance of these correlations in reconstructed energy bin images and the corresponding detector performance in image-based material decomposition is evaluated using a statistically optimal decomposition algorithm. Results: The results of IMA together with the semirealistic detector model were compared to other models and measurements using the spectral response and the energy bin sensitivity, finding a good agreement. Correlations between the different reconstructed energy bin images could be observed, and turned out to be of weak nature. These correlations were found to be not relevant in image-based material decomposition. An even simpler simulation procedure based on the energy bin sensitivity was tested instead and yielded similar results for the image-based material decomposition task, as long as the fact that one incident photon can increase multiple counters across neighboring detector pixels is taken into account. Conclusions: The IMA is computationally efficient as it required about 10{sup 2} random numbers per ray incident on a detector pixel instead of an estimated 10{sup 8} random numbers per ray as Monte Carlo approaches would need. The spatial–spectral correlations as described by IMA are not important for the studied image-based material decomposition task. Respecting the absolute photon counts and thus the multiple counter increases by a single x-ray photon, the same material decomposition performance could be obtained with a simpler detector description using the energy bin sensitivity.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1981

Analysis and computation of three-dimensional flow in strongly curved ducts

Numerical solutions are presented for three-dimensional laminar and turbulent flow in curved ducts of rectangular cross section and significant curvature. The analysis is based on a primary-secondary velocity decomposition in a given coordinate system, and leads to approximate governing equations which correct an a priori inviscid solution for viscous effects, secondary flows, total pressure distortion, heat transfer, and internal flow blockage and losses. Solution of the correction equations is accomplished as an initial-value problem in space using an implicit forward-marching technique. The overall solution procedure requires significantly less computational effort than Navier-Stokes algorithms. The present solution procedure is effective even with the extreme local mesh resolution which is necessary to resolve near-wall sublayer regions in turbulent flow calculations. Computed solutions for both laminar and turbulent flow compare very favorably with available analytical and experimental results.

Kreskovsky, J. P.↗
DOE OSTI2015

Approaching the investigation of plasma turbulence through a rigorous verification and validation procedure: A practical example

In the present work, a Verification and Validation procedure is presented and applied showing, through a practical example, how it can contribute to advancing our physics understanding of plasma turbulence. Bridging the gap between plasma physics and other scientific domains, in particular, the computational fluid dynamics community, a rigorous methodology for the verification of a plasma simulation code is presented, based on the method of manufactured solutions. This methodology assesses that the model equations are correctly solved, within the order of accuracy of the numerical scheme. The technique to carry out a solution verification is described to provide a rigorous estimate of the uncertainty affecting the numerical results. A methodology for plasma turbulence code validation is also discussed, focusing on quantitative assessment of the agreement between experiments and simulations. The Verification and Validation methodology is then applied to the study of plasma turbulence in the basic plasma physics experiment TORPEX [Fasoli et al., Phys. Plasmas 13, 055902 (2006)], considering both two-dimensional and three-dimensional simulations carried out with the GBS code [Ricci et al., Plasma Phys. Controlled Fusion 54, 124047 (2012)]. The validation procedure allows progress in the understanding of the turbulent dynamics in TORPEX, by pinpointing the presence of a turbulent regime transition, due to the competition between the resistive and ideal interchange instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1988

Finite volume computation of unsteady inviscid rotational transonic flows past airfoils in rigid body motion

Unsteady inviscid transonic flow over airfoils in arbitrary rigid body motion is analyzed numerically by solving the two-dimensional unsteady Euler equations in integral form using a finite volume scheme. The solution procedure is based on an explicit Runge-Kutta time-stepping scheme wherein the spatial terms are central-differenced and a combination of second- and fourth-differences in the flow variables are used to form the numerical dissipation terms to stabilize the scheme. Unsteady calculations are started from converged steady-state solutions as initial conditions. Nonreflective boundary conditions are imposed on the far-field boundaries. Results are presented and, where possible, validated against available numerical and experimental data for airfoils subjected to a step change in angle of attack, airfoils oscillating and plunging in transonic flow, and airfoils immersed in a time-varying free stream.

Damodaran, Murali↗
NASA NTRS1991

A multiblock, multigrid solution procedure for multielement airfoils

A block-structured grid formulation is presented and discussed. The compressible Euler equations are solved on the decomposed domain with a multigrid method based on Runge-Kutta time stepping and centered spatial differencing. The flexibility of the multiblock approach is demonstrated by computing low speed inviscid flow over two different multielement airfoil configurations.

Sanetrik, Mark D.↗
NASA NTRS1993

Reliability enhancement of Navier-Stokes codes through convergence enhancement

Reduction of total computing time required by an iterative algorithm for solving Navier-Stokes equations is an important aspect of making the existing and future analysis codes more cost effective. Several attempts have been made to accelerate the convergence of an explicit Runge-Kutta time-stepping algorithm. These acceleration methods are based on local time stepping, implicit residual smoothing, enthalpy damping, and multigrid techniques. Also, an extrapolation procedure based on the power method and the Minimal Residual Method (MRM) were applied to the Jameson's multigrid algorithm. The MRM uses same values of optimal weights for the corrections to every equation in a system and has not been shown to accelerate the scheme without multigriding. Our Distributed Minimal Residual (DMR) method based on our General Nonlinear Minimal Residual (GNLMR) method allows each component of the solution vector in a system of equations to have its own convergence speed. The DMR method was found capable of reducing the computation time by 10-75 percent depending on the test case and grid used. Recently, we have developed and tested a new method termed Sensitivity Based DMR or SBMR method that is easier to implement in different codes and is even more robust and computationally efficient than our DMR method.

Choi, K.-Y.↗
NASA NTRSDate not supplied

Enhanced Simulation Techniques in Predicting Sonic Boom Loudness Using CFD

This paper outlines advancements in predicting sonic boom loudness within the Launch, Ascent, and Vehicle Aerodynamics (LAVA) computational framework. Traditionally, a two step process consisting of a steady state computational fluid dynamics problem for near-field analysis and a far-field propagation solver for calculation of loudness metrics has been used. Improvements to this process made in this work include utilizing a high-order space marching method for mid-field computations, developing a novel output-based mesh adaptation method targeting error in near-field pressure sig-natures, and developing a robust scripting system using curvilinear grids to increase robustness and simplify the process of running large databases of simulation cases. These advancements are detailed and applied to the simulation of the X-59, presenting comparative cost and timing analyses between the prior two step workflow and the current three step procedure. We achieve increased accuracy and robustness for loudness predictions with at least a50%computational cost reduction.

CST↗
DOE OSTI2020

The Generality of the GUGA MRCI Approach in COLUMBUS for Treating Complex Quantum Chemistry

The core part of the program system COLUMBUS allows highly efficient calculations using variational multireference (MR) methods in the framework of configuration interaction with single and double excitations (MR-CISD) and averaged quadratic coupled-cluster calculations (MR-AQCC), based on uncontracted sets of configurations and the graphical unitary group approach (GUGA). The availability of analytic MR-CISD and MR-AQCC energy gradients and analytic nonadiabatic couplings for MR-CISD enables exciting applications including, e.g., investigations of π-conjugated biradicaloid compounds, calculations of multitudes of excited states, development of diabatization procedures, and furnishing the electronic structure information for on-the-fly surface nonadiabatic dynamics. With fully variational uncontracted spin-orbit MRCI, COLUMBUS provides a unique possibility of performing high-level calculations on compounds containing heavy atoms up to lanthanides and actinides. Crucial for carrying out all of these calculations effectively is the availability of an efficient parallel code for the CI step. Configuration spaces of several billion in size now can be treated quite routinely on standard parallel computer clusters. Emerging developments in COLUMBUS, including the all configuration mean energy multiconfiguration self-consistent field method and the graphically contracted function method, promise to allow practically unlimited configuration space dimensions. Spin density based on the GUGA approach, analytic spin-orbit energy gradients, possibilities for local electron correlation MR calculations, development of general interfaces for nonadiabatic dynamics, and MRCI linear vibronic coupling models conclude this overview.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: Explicit treatment of the vibronic transitions

Here, we extend a recently introduced theoretical-computational procedure [M. D’Alessandro, M. Aschi, C. Mazzuca, A. Palleschi, and A. Amadei, J. Chem. Phys. 139, 114102 (2013)] to include quantum vibrational transitions in modelling electronic spectra of atomic molecular systems in condensed phase. The method is based on the combination of Molecular Dynamics simulations and quantum chemical calculations within the Perturbed Matrix Method approach. The main aim of the presented approach is to reproduce as much as possible the spectral line shape which results from a subtle combination of environmental and intrinsic (chromophore) mechanical-dynamical features. As a case study, we were able to model the low energy UV-vis transitions of pyrene in liquid acetonitrile in good agreement with the experimental data.

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

Persistent topological features of dynamical systems

Inspired by an early work of Muldoon et al., Physica D 65, 1–16 (1993), we present a general method for constructing simplicial complex from observed time series of dynamical systems based on the delay coordinate reconstruction procedure. The obtained simplicial complex preserves all pertinent topological features of the reconstructed phase space, and it may be analyzed from topological, combinatorial, and algebraic aspects. In focus of this study is the computation of homology of the invariant set of some well known dynamical systems that display chaotic behavior. Persistent homology of simplicial complex and its relationship with the embedding dimensions are examined by studying the lifetime of topological features and topological noise. The consistency of topological properties for different dynamic regimes and embedding dimensions is examined. The obtained results shed new light on the topological properties of the reconstructed phase space and open up new possibilities for application of advanced topological methods. The method presented here may be used as a generic method for constructing simplicial complex from a scalar time series that has a number of advantages compared to the mapping of the same time series to a complex network.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Efficient manifolds tracing for planar maps

Here, we present an exact calculation method and an approximation technique for tracing the invariant manifolds of unstable periodic orbits of planar maps. The exact approach relies on an adaptive refinement procedure that prevents redundant calculations occurring in other approaches, and the approximated method relies on a novel interpolation approach based on normal displacement functions. The resulting approximated manifold is precise when compared to the exact one, and its relative computational cost falls like the inverse of the manifold length. To present the tracing method, we obtain the invariant manifolds of the Chirikov-Taylor map, and as an application we illustrate the transition from homoclinic to heteroclinic chaos in the Duffing oscillator that leads from localized chaos to global chaotic motion.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

WE-G-18A-01: JUNIOR INVESTIGATOR WINNER - Low-Dose C-Arm Cone-Beam CT with Model-Based Image Reconstruction for High-Quality Guidance of Neurosurgical Intervention

Purpose: To address the challenges of image quality, radiation dose, and reconstruction speed in intraoperative cone-beam CT (CBCT) for neurosurgery by combining model-based image reconstruction (MBIR) with accelerated algorithmic and computational methods. Methods: Preclinical studies involved a mobile C-arm for CBCT imaging of two anthropomorphic head phantoms that included simulated imaging targets (ventricles, soft-tissue structures/bleeds) and neurosurgical procedures (deep brain stimulation (DBS) electrode insertion) for assessment of image quality. The penalized likelihood (PL) framework was used for MBIR, incorporating a statistical model with image regularization via an edgepreserving penalty. To accelerate PL reconstruction, the ordered-subset, separable quadratic surrogates (OS-SQS) algorithm was modified to incorporate Nesterov's method and implemented on a multi-GPU system. A fair comparison of image quality between PL and conventional filtered backprojection (FBP) was performed by selecting reconstruction parameters that provided matched low-contrast spatial resolution. Results: CBCT images of the head phantoms demonstrated that PL reconstruction improved image quality (∼28% higher CNR) even at half the radiation dose (3.3 mGy) compared to FBP. A combination of Nesterov's method and fast projectors yielded a PL reconstruction run-time of 251 sec (cf., 5729 sec for OS-SQS, 13 sec for FBP). Insertion of a DBS electrode resulted in severe metal artifact streaks in FBP reconstructions, whereas PL was intrinsically robust against metal artifact. The combination of noise and artifact was reduced from 32.2 HU in FBP to 9.5 HU in PL, thereby providing better assessment of device placement and potential complications. Conclusion: The methods can be applied to intraoperative CBCT for guidance and verification of neurosurgical procedures (DBS electrode insertion, biopsy, tumor resection) and detection of complications (intracranial hemorrhage). Significant improvement in image quality, dose reduction, and reconstruction time of ∼4 min will enable practical deployment of low-dose C-arm CBCT within the operating room. AAPM Research Seed Funding (2013-2014); NIH Fellowship F32EB017571; Siemens Healthcare (XP Division)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Determination of the optimal tolerance for MLC positioning in sliding window and VMAT techniques

Purpose: Several authors have recommended a 2 mm tolerance for multileaf collimator (MLC) positioning in sliding window treatments. In volumetric modulated arc therapy (VMAT) treatments, however, the optimal tolerance for MLC positioning remains unknown. In this paper, the authors present the results of a multicenter study to determine the optimal tolerance for both techniques. Methods: The procedure used is based on dynalog file analysis. The study was carried out using seven Varian linear accelerators from five different centers. Dynalogs were collected from over 100 000 clinical treatments and in-house software was used to compute the number of tolerance faults as a function of the user-defined tolerance. Thus, the optimal value for this tolerance, defined as the lowest achievable value, was investigated. Results: Dynalog files accurately predict the number of tolerance faults as a function of the tolerance value, especially for low fault incidences. All MLCs behaved similarly and the Millennium120 and the HD120 models yielded comparable results. In sliding window techniques, the number of beams with an incidence of hold-offs >1% rapidly decreases for a tolerance of 1.5 mm. In VMAT techniques, the number of tolerance faults sharply drops for tolerances around 2 mm. For a tolerance of 2.5 mm, less than 0.1% of the VMAT arcs presented tolerance faults. Conclusions: Dynalog analysis provides a feasible method for investigating the optimal tolerance for MLC positioning in dynamic fields. In sliding window treatments, the tolerance of 2 mm was found to be adequate, although it can be reduced to 1.5 mm. In VMAT treatments, the typically used 5 mm tolerance is excessively high. Instead, a tolerance of 2.5 mm is recommended.

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS1977

Remote estimation of surface temperature in pollution measurement experiments

The procedure described was developed for inferring the effective brightness temperature (EBT) of the underlying surface (at a given altitude) from the computed value of the radiance corresponding to a known surface temperature. A standard temperature correction to EBT (termed 'base correction') is first determined by using a 'base model atmosphere' for computing the upwelling radiance. Additional temperature corrections are then determined by considering several variations of the different surface and atmospheric parameters from their 'base model' values. Empirical relations are derived between the deviations of various surface and atmospheric parameters (from their base model values) and the additional corrections required for the EBT as a result of these variations. Use of such relations for large-scale data reduction, instead of radiative transfer calculations, is expected to result in drastic cost decrease.

Gupta, S. K.↗
NASA NTRS1980

Identifying and locating land irrigated by center-pivot irrigation systems using satellite imagery

A methodology for using Landsat imagery for the identification and location of land irrigated by center-pivot irrigation systems is presented. The procedure involves the use of sets of Landsat band 5 imagery taken separated in time by about three weeks during the irrigation season, a zoom transfer scope and mylar base maps to record the locations of center pivots. Further computer processing of the data has been used to obtain plots of center-pivot irrigation systems and tables indicating the distribution and growth of systems by county for the state of Nebraska, and has been found to be in 95% agreement with current high-altitude IR photography. The information obtainable can be used for models of ground-water aquifers or resource planning.

Hoffman, R. O.↗
NASA NTRS1988

Efficient implementation of essentially non-oscillatory shock capturing schemes, 2

Earlier work on the efficient implementation of ENO (essentially non-oscillatory) shock capturing schemes is continued. A new simplified expression is provided for the ENO construction procedure based again on numerical fluxes rather than cell averages. Also considered are two improvements which are labeled ENO-LLF (local Lax-Friedrichs) and ENO-Roe, which yield sharper shock transitions, improved overall efficiency, and lower computational cost than previous implementation of the ENO schemes. Two methods of sharpening contact discontinuities, i.e., the subcell resolution idea of Harten and the artificial compression idea of Yang, which those authors used originally in the cell-average framework, are supplied to the current ENO schemes using numerical fluxes and TVD Runge-Kutta time discretizations. The implementation for nonlinear systems and multi-dimensions is given. Finally, many numerical examples, including a compressible shock turbulence interaction flow calculation, are given.

Shu, Chi-Wang↗
NASA NTRS1987

The hack attack - Increasing computer system awareness of vulnerability threats

The paper discusses the issue of electronic vulnerability of computer based systems supporting NASA Goddard Space Flight Center (GSFC) by unauthorized users. To test the security of the system and increase security awareness, NYMA, Inc. employed computer 'hackers' to attempt to infiltrate the system(s) under controlled conditions. Penetration procedures, methods, and descriptions are detailed in the paper. The procedure increased the security consciousness of GSFC management to the electronic vulnerability of the system(s).

Quann, John↗