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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Complex Representation of Potentials and Fields for the Nonlinear Magnetic Insert of the Integrable Optics Test Accelerator

An alternative representation for the vector potential of the nonlinear magnetic insert for the Integrable Optics Test Accelerator (IOTA), first described in Sec. V.A. of (Danilov and Nagaitsev), is determined from first principles using standard complex variable methods. In particular, it is shown that the coupled system consisting of the 2D Laplace equation and the Bertrand-Darboux equation is equivalent to a single ordinary differential equation in the complex plane, and a simple solution is constructed. The results are consistent with (Danilov and Nagaitsev), and this concise representation provides computational advantages for particle tracking through the nonlinear insert by avoiding numerical errors caused by small denominators that appear when evaluating transverse derivatives of the vector potential near the midplane. A similar representation is provided for the spatial dependence of the two invariants of motion.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Evaluation of a deformable registration algorithm for subsequent lung computed tomography imaging during radiochemotherapy

Purpose: Rating both a lung segmentation algorithm and a deformable image registration (DIR) algorithm for subsequent lung computed tomography (CT) images by different evaluation techniques. Furthermore, investigating the relative performance and the correlation of the different evaluation techniques to address their potential value in a clinical setting. Methods: Two to seven subsequent CT images (69 in total) of 15 lung cancer patients were acquired prior, during, and after radiochemotherapy. Automated lung segmentations were compared to manually adapted contours. DIR between the first and all following CT images was performed with a fast algorithm specialized for lung tissue registration, requiring the lung segmentation as input. DIR results were evaluated based on landmark distances, lung contour metrics, and vector field inconsistencies in different subvolumes defined by eroding the lung contour. Correlations between the results from the three methods were evaluated. Results: Automated lung contour segmentation was satisfactory in 18 cases (26%), failed in 6 cases (9%), and required manual correction in 45 cases (66%). Initial and corrected contours had large overlap but showed strong local deviations. Landmark-based DIR evaluation revealed high accuracy compared to CT resolution with an average error of 2.9 mm. Contour metrics of deformed contours were largely satisfactory. The median vector length of inconsistency vector fields was 0.9 mm in the lung volume and slightly smaller for the eroded volumes. There was no clear correlation between the three evaluation approaches. Conclusions: Automatic lung segmentation remains challenging but can assist the manual delineation process. Proven by three techniques, the inspected DIR algorithm delivers reliable results for the lung CT data sets acquired at different time points. Clinical application of DIR demands a fast DIR evaluation to identify unacceptable results, for instance, by combining different automated DIR evaluation methods.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Exploiting data representation for fault tolerance

Incorrect computer hardware behavior may corrupt intermediate computations in numerical algorithms, possibly resulting in incorrect answers. Prior work models misbehaving hardware by randomly flipping bits in memory. We start by accepting this premise, and present an analytic model for the error introduced by a bit flip in an IEEE 754 floating-point number. We then relate this finding to the linear algebra concepts of normalization and matrix equilibration. In particular, we present a case study illustrating that normalizing both vector inputs of a dot product minimizes the probability of a single bit flip causing a large error in the dot product's result. Moreover, the absolute error is either less than one or very large, which allows detection of large errors. Then, we apply this to the GMRES iterative solver. We count all possible errors that can be introduced through faults in arithmetic in the computationally intensive orthogonalization phase of GMRES, and show that when the matrix is equilibrated, the absolute error is bounded above by one.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Coupling High-Throughput Experiments and Regression Algorithms to Optimize PGM-Free ORR Electrocatalyst Synthesis

Over the past decades, significant improvement has been achieved in the performance of platinum group metal-free (PGM-free) materials as an alternative to Pt-based electrocatalysts for oxygen reduction reaction (ORR). However, further progress in ORR activity requires evaluation of precursors and synthesis approaches. In response to this challenge, we generated a first of its kind experimental data set of 36 samples using high-throughput synthesis and activity measurements. Several control parameters (e.g., Fe precursor identity, the precursor content, and pyrolysis temperature) were varied. We then developed several state-of-the-art machine learning (ML) based regression models to predict ORR activity, dependent on selected synthesis variables. Through an iterative algorithm, higher prediction accuracy (smaller root-mean-square error) was achieved. We identified that gradient boosting regression (GBR) and support vector regression (SVR), among several methods, work best for this data set. Aided by our ML-based surrogate models, we decided to alter catalyst synthesis conditions, which resulted in a 36% increase in measured ORR activity in comparison to the maximum ORR mass activity value of 21.9 A/g catalyst in the original data set. Overall, this combined experiment and machine learning approach represents a promising path forward toward developing highly efficient next-generation ORR electrocatalysts and, more generally, functional materials.

25 ENERGY STORAGE↗
DOE OSTI2016

Nonlocal energy-optimized kernel: Recovering second-order exchange in the homogeneous electron gas

In order to remedy some of the shortcomings of the random phase approximation (RPA) within adiabatic connection fluctuation-dissipation (ACFD) density functional theory, we introduce a short-ranged, exchange-like kernel that is one-electron self-correlation free and exact for two-electron systems in the high-density limit. By tuning a free parameter in our model to recover an exact limit of the homogeneous electron gas correlation energy, we obtain a nonlocal, energy-optimized kernel that reduces the errors of RPA for both homogeneous and inhomogeneous solids. Using wave-vector symmetrization for the kernel, we also implement RPA renormalized perturbation theory for extended systems, and demonstrate its capability to describe the dominant correlation effects with a low-order expansion in both metallic and nonmetallic systems. Further, the comparison of ACFD structural properties with experiment is also shown to be limited by the choice of norm-conserving pseudopotential.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

SU-E-J-234: Application of a Breathing Motion Model to ViewRay Cine MR Images

Purpose: A respiratory motion model previously used to generate breathing-gated CT images was used with cine MR images. Accuracy and predictive ability of the in-plane models were evaluated. Methods: Sagittalplane cine MR images of a patient undergoing treatment on a ViewRay MRI/radiotherapy system were acquired before and during treatment. Images were acquired at 4 frames/second with 3.5 × 3.5 mm resolution and a slice thickness of 5 mm. The first cine frame was deformably registered to following frames. Superior/inferior component of the tumor centroid position was used as a breathing surrogate. Deformation vectors and surrogate measurements were used to determine motion model parameters. Model error was evaluated and subsequent treatment cines were predicted from breathing surrogate data. A simulated CT cine was created by generating breathing-gated volumetric images at 0.25 second intervals along the measured breathing trace, selecting a sagittal slice and downsampling to the resolution of the MR cines. A motion model was built using the first half of the simulated cine data. Model accuracy and error in predicting the remaining frames of the cine were evaluated. Results: Mean difference between model predicted and deformably registered lung tissue positions for the 28 second preview MR cine acquired before treatment was 0.81 +/− 0.30 mm. The model was used to predict two minutes of the subsequent treatment cine with a mean accuracy of 1.59 +/− 0.63 mm. Conclusion: Inplane motion models were built using MR cine images and evaluated for accuracy and ability to predict future respiratory motion from breathing surrogate measurements. Examination of long term predictive ability is ongoing. The technique was applied to simulated CT cines for further validation, and the authors are currently investigating use of in-plane models to update pre-existing volumetric motion models used for generation of breathing-gated CT planning images.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Complex deuteron NMR signals

To determine the spin polarization of deuterons, nuclear magnetic resonance (NMR) is used. This is necessary for polarized targets, such as for the upcoming A zz and b 1 experiment at Jefferson Lab. NMR measures the impedance of a solenoid around a deuterated sample. Although the impedance is a complex value, conventionally only the real part of the impedance has been used for this purpose. However, often the tune is not precisely real, meaning the signal has at least some small imaginary portion. This conventionally has been dealt with by an offset parameter, such as Dulya’s false asymmetry method. For vector polarization, this suffices, as the tuning is factored into the overall error of the results, and for a small phase angle doesn’t make much of a difference. However, for tensor polarization, the exact lineshape of the signal is quite significant, and treating the impedance as complex during analysis removes the need for an offset parameter. As a result, it also provides more accurate results, as the conventional false asymmetry method over- or underestimates polarization, depending on the sign of the phase angle.

McClellan, Michael [University of New Hampshire, D↗
DOE OSTI2011

Search for a heavy neutral particle decaying into an electron and a muon using 1 fb − 1 of ATLAS data

CERN-LHC. A search for high mass neutral particles that decay directly into oppositely charged electron-muon pairs produced in proton-proton collisions at a centre-of-mass energy of 7 TeV. The analysis uses a data sample of total integrated luminosity of 1.07 fb-1 and the results are found to be consistent with the Standard Model expectations. The high di-lepton mass region is used to set upper limits on the production of two possible new physics processes: tau sneutrinos in an R-parity violating SUSY model and Zprime like vector bosons in a lepton flavour violating model. In the tables the errors on the data points are purely statistical and can therefore be derived from the total number of events observed in each bin. The auxillary plots refered to in several of the tables are available on the ATLAS web site: atlas.web.cern.ch/Atlas/GROUPS/PHYSICS/PAPERS/SUSY-2011-11/.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Planning for Pre-Exascale Platform Environment (Fiscal Year 2015 Level 2 Milestone 5216)

This Plan for ASC Pre-Exascale Platform Environments document constitutes the deliverable for the fiscal year 2015 (FY15) Advanced Simulation and Computing (ASC) Program Level 2 milestone Planning for Pre-Exascale Platform Environment. It acknowledges and quantifies challenges and recognized gaps for moving the ASC Program towards effective use of exascale platforms and recommends strategies to address these gaps. This document also presents an update to the concerns, strategies, and plans presented in the FY08 predecessor document that dealt with the upcoming (at the time) petascale high performance computing (HPC) platforms. With the looming push towards exascale systems, a review of the earlier document was appropriate in light of the myriad architectural choices currently under consideration. The ASC Program believes the platforms to be fielded in the 2020s will be fundamentally different systems that stress ASC’s ability to modify codes to take full advantage of new or unique features. In addition, the scale of components will increase the difficulty of maintaining an errorfree system, thus driving new approaches to resilience and error detection/correction. The code revamps of the past, from serial- to vector-centric code to distributed memory to threaded implementations, will be revisited as codes adapt to a new message passing interface (MPI) plus “x” or more advanced and dynamic programming models based on architectural specifics. Development efforts are already underway in some cases, and more difficult or uncertain aspects of the new architectures will require research and analysis that may inform future directions for program choices. In addition, the potential diversity of system architectures may require parallel if not duplicative efforts to analyze and modify environments, codes, subsystems, libraries, debugging tools, and performance analysis techniques as well as exploring new monitoring methodologies. It is difficult if not impossible to selectively eliminate some of these activities until more information is available through simulations of potential architectures, analysis of systems designs, and informed study of commodity technologies that will be the constituent parts of future platforms.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1974

Wind estimates from cloud motions: Phase 1 of an in situ aircraft verification experiment

An initial experiment was conducted to verify geostationary satellite derived cloud motion wind estimates with in situ aircraft wind velocity measurements. Case histories of one-half hour to two hours were obtained for 3-10km diameter cumulus cloud systems on 6 days. Also, one cirrus cloud case was obtained. In most cases the clouds were discrete enough that both the cloud motion and the ambient wind could be measured with the same aircraft Inertial Navigation System (INS). Since the INS drift error is the same for both the cloud motion and wind measurements, the drift error subtracts out of the relative motion determinations. The magnitude of the vector difference between the cloud motion and the ambient wind at the cloud base averaged 1.2 m/sec. The wind vector at higher levels in the cloud layer differed by about 3 m/sec to 5 m/sec from the cloud motion vector.

Hasler, A. F.↗
NASA NTRS1976

Wind estimates from cloud motions - Phase 1 of an in situ aircraft verification experiment

An initial experiment has been conducted to verify geostationary-satellite-derived cloud motion wind estimates with in situ aircraft wind velocity measurements. Case histories of 1/2 to 2 h were obtained for 3-10 km diameter cumulus cloud systems on 6 days. Also, one cirrus cloud case was obtained. In most cases the clouds were discrete enough that both the cloud motion and the ambient wind could be measured with the same aircraft Inertial Navigation System (INS). Since the INS drift error is the same for both the cloud motion and wind measurements, the drift error drops out of the relative motion determinations. The magnitude of the vector difference between the cloud motion and the ambient wind at the cloud base averaged 1.2 m/sec. The wind vector at higher levels in the cloud layer differed by about 3 to 5 m/sec from the cloud motion vector.

Hasler, A. F.↗
NASA NTRS1985

Onboard rendezvous navigation for the Space Shuttle

The onboard rendezvous navigation software for Shuttle flight 41-C are described. Particular attention is given to the inputs, models, and outputs of the software. The performance of the rendezvous navigation system is compared to predicted performance profiles in connection with the relative vehicle geometry, as well as the location of the navigation sensor tracking arcs. The methods used to process navigational sensor measurements in order to update the state vector are also summarized. A table listing the sources of maneuver targeting errors is provided.

Wylie, A. D.↗
NASA NTRS1987

Automated mesoscale winds determined from satellite imagery

A new automated technique for extracting mesoscale fields from GOES visible/infrared satellite imagery was developed. Quality control parameters were defined to allow objective editing of the wind fields. The system can produce equivalent or superior cloud wind estimates compared to the time consuming manual methods used on various interactive meteorological processing systems. Analysis of automated mesoscale cloud wind for a test case yields an estimated random error value one meter per second and produces both regional and mesoscale vector wind field structure and divergence patterns that are consistent in time and highly correlated with subsequent severe thunderstorm development.

Source record↗
NASA NTRS1989

Direct discretization of planar div-curl problems

A control volume method is proposed for planar div-curl systems. The method is independent of potential and least squares formulations, and works directly with the div-curl system. The novelty of the technique lies in its use of a single local vector field component and two control volumes rather than the other way around. A discrete vector field theory comes quite naturally from this idea and is developed. Error estimates are proved for the method, and other ramifications investigated.

Nicolaides, R. A.↗
NASA NTRS1989

Accurate quantum chemical calculations

An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1989

Experimental measurement of structural power flow on an aircraft fuselage

An experimental technique is used to measure the structural power flow through an aircraft fuselage with the excitation near the wing attachment location. Because of the large number of measurements required to analyze the whole of an aircraft fuselage, it is necessary that a balance be achieved between the number of measurement transducers, the mounting of these transducers, and the accuracy of the measurements. Using four transducers mounted on a bakelite platform, the structural intensity vectors at locations distributed throughout the fuselage are measured. To minimize the errors associated with using a four transducers technique the measurement positions are selected away from bulkheads and stiffeners. Because four separate transducers are used, with each transducer having its own drive and conditioning amplifiers, phase errors are introduced in the measurements that can be much greater than the phase differences associated with the measurements. To minimize these phase errors two sets of measurements are taken for each position with the orientation of the transducers rotated by 180 deg and an average taken between the two sets of measurements. Results are presented and discussed.

Cuschieri, J. M.↗
NASA NTRS1991

Experimental measurement of structural power flow on an aircraft fuselage

An experimental technique is used to measure structural intensity through an aircraft fuselage with an excitation load applied near one of the wing attachment locations. The fuselage is a relatively large structure, requiring a large number of measurement locations to analyze the whole of the structure. For the measurement of structural intensity, multiple point measurements are necessary at every location of interest. A tradeoff is therefore required between the number of measurement transducers, the mounting of these transducers, and the accuracy of the measurements. Using four transducers mounted on a bakelite platform, structural intensity vectors are measured at locations distributed throughout the fuselage. To minimize the errors associated with using the four transducer technique, the measurement locations are selected to be away from bulkheads and stiffeners. Furthermore, to eliminate phase errors between the four transducer measurements, two sets of data are collected for each position, with the orientation of the platform with the four transducers rotated by 180 degrees and an average taken between the two sets of data. The results of these measurements together with a discussion of the suitability of the approach for measuring structural intensity on a real structure are presented.

Cuschieri, J. M.↗
NASA NTRS2000

Reusable Launch Vehicle Control In Multiple Time Scale Sliding Modes

A reusable launch vehicle control problem during ascent is addressed via multiple-time scaled continuous sliding mode control. The proposed sliding mode controller utilizes a two-loop structure and provides robust, de-coupled tracking of both orientation angle command profiles and angular rate command profiles in the presence of bounded external disturbances and plant uncertainties. Sliding mode control causes the angular rate and orientation angle tracking error dynamics to be constrained to linear, de-coupled, homogeneous, and vector valued differential equations with desired eigenvalues placement. Overall stability of a two-loop control system is addressed. An optimal control allocation algorithm is designed that allocates torque commands into end-effector deflection commands, which are executed by the actuators. The dual-time scale sliding mode controller was designed for the X-33 technology demonstration sub-orbital launch vehicle in the launch mode. Simulation results show that the designed controller provides robust, accurate, de-coupled tracking of the orientation angle command profiles in presence of external disturbances and vehicle inertia uncertainties. This is a significant advancement in performance over that achieved with linear, gain scheduled control systems currently being used for launch vehicles.

Shtessel, Yuri↗