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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Solutions to Kuessner's integral equation in unsteady flow using local basis functions

The computational procedure and numerical results are presented for a new method to solve Kuessner's integral equation in the case of subsonic compressible flow about harmonically oscillating planar surfaces with controls. Kuessner's equation is a linear transformation from pressure to normalwash. The unknown pressure is expanded in terms of prescribed basis functions and the unknown basis function coefficients are determined in the usual manner by satisfying the given normalwash distribution either collocationally or in the complex least squares sense. The present method of solution differs from previous ones in that the basis functions are defined in a continuous fashion over a relatively small portion of the aerodynamic surface and are zero elsewhere. This method, termed the local basis function method, combines the smoothness and accuracy of distribution methods with the simplicity and versatility of panel methods. Predictions by the local basis function method for unsteady flow are shown to be in excellent agreement with other methods. Also, potential improvements to the present method and extensions to more general classes of solutions are discussed.

Fromme, J. A.↗
DOE OSTI2025

A Linear-Complexity Tensor Butterfly Algorithm for Compressing High-Dimensional Oscillatory Integral Operators

This paper presents a multilevel tensor compression algorithm called tensor butterfly algorithm for efficiently representing large-scale and high-dimensional oscillatory integral operators, including Green's functions for wave equations and integral transforms such as Radon transforms and Fourier transforms. The proposed algorithm leverages a tensor extension of the so-called complementary low-rank property of existing matrix butterfly algorithms. The algorithm partitions the discretized integral operator tensor into subtensors of multiple levels and factorizes each subtensor at the middle level as a Tucker-type interpolative decomposition, whose factor matrices are formed in a multilevel fashion. For a d-dimensional (d > 1) integral operator discretized into a 2d-mode tensor with n2d entries, the overall CPU time and memory requirement scale as O(nd), in stark contrast to the O(nd log n) complexity of existing matrix algorithms such as matrix butterfly algorithms and fast Fourier transforms (FFTs), where n is the number of points per direction. When comparing with other tensor algorithms such as quantized tensor train (QTT), the proposed algorithm also shows superior CPU and memory performance for tensor contraction. Remarkably, the tensor butterfly algorithm can efficiently model high-frequency Green's function interactions between two unit cubes, each spanning 512 wavelengths per direction, which represents problems of scale over 512× larger than that existing butterfly algorithms can handle, with the same amount of computation resources. On the other hand, for a problem representing 64 wavelengths per direction, which is the largest size existing algebraic matrix algorithms can handle, our tensor butterfly algorithm exhibits 200x speedups and 30× memory reduction compared with existing ones. Moreover, the tensor butterfly algorithm also permits O(nd)-complexity FFTs and Radon transforms up to d = 6 dimensions.

Kielstra, P Michael↗
DOE OSTI2016

Numerical evaluation of two-center integrals over Slater type orbitals

Slater Type Orbitals (STOs) which one of the types of exponential type orbitals (ETOs) are used usually as basis functions in the multicenter molecular integrals to better understand physical and chemical properties of matter. In this work, we develop algorithms for two-center overlap and two-center two-electron hybrid and Coulomb integrals which are calculated with help of translation method for STOs and some auxiliary functions by V. Magnasco’s group. We use Mathematica programming language to produce algorithms for these calculations. Numerical results for some quantum numbers are presented in the tables. Consequently, we compare our obtained numerical results with the other known literature results and other details of evaluation method are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Brucella Periplasmic Protein EipB Is a Molecular Determinant of Cell Envelope Integrity and Virulence

The Gram-negative cell envelope is a remarkable structure with core components that include an inner membrane, an outer membrane, and a peptidoglycan layer in the periplasmic space between. Multiple molecular systems function to maintain integrity of this essential barrier between the interior of the cell and its surrounding environment. Herein, we show that a conserved DUF1849 family protein, EipB, is secreted to the periplasmic space of Brucella species, a monophyletic group of intracellular pathogens. In the periplasm, EipB folds into an unusual 14-stranded β-spiral structure that resembles the LolA and LolB lipoprotein delivery system, though the overall fold of EipB is distinct from LolA/LolB. Deletion of eipB results in defects in Brucella cell envelope integrity in vitro and in maintenance of spleen colonization in a mouse model of Brucella abortus infection. Transposon disruption of ttpA, which encodes a periplasmic protein containing tetratricopeptide repeats, is synthetically lethal with eipB deletion. ttpA is a reported virulence determinant in Brucella, and our studies of ttpA deletion and overexpression strains provide evidence that this gene also contributes to cell envelope function. We conclude that eipB and ttpA function in the Brucella periplasmic space to maintain cell envelope integrity, which facilitates survival in a mammalian host.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Regularized inversion of aerosol hygroscopic growth factor probability density function: application to humidity-controlled fast integrated mobility spectrometer measurements

Abstract. Aerosol hygroscopic growth plays an important role in atmospheric particle chemistry and the effects of aerosol on radiation and hence climate. The hygroscopic growth is often characterized by a growth factor probability density function (GF-PDF), where the growth factor is defined as the ratio of the particle size at a specified relative humidity to its dry size. Parametric, least-squares methods are the most widely used algorithms for inverting the GF-PDF from measurements of the humidified tandem differential mobility analyzer (HTDMA) and have been recently applied to the GF-PDF inversion from measurements of the humidity-controlled fast integrated mobility spectrometer (HFIMS). However, these least-squares methods suffer from noise amplification due to the lack of regularization in solving the ill-posed problem, resulting in significant fluctuations in the retrieved GF-PDF and even occasional failures of convergence. In this study, we introduce nonparametric, regularized methods to invert the aerosol GF-PDF and apply them to HFIMS measurements. Based on the HFIMS kernel function, the forward convolution is transformed into a matrix-based form, which facilitates the application of the nonparametric inversion methods with regularizations, including Tikhonov regularization and Twomey's iterative regularization. Inversions of the GF-PDF using the nonparameteric methods with regularization are demonstrated using HFIMS measurements simulated from representative GF-PDFs of ambient aerosols. The characteristics of reconstructed GF-PDFs resulting from different inversion methods, including previously developed least-squares methods, are quantitatively compared. The result shows that Twomey's method generally outperforms other inversion methods. The capabilities of Twomey's method in reconstructing the pre-defined GF-PDFs and recovering the mode parameters are validated.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Beyond Limber: efficient computation of angular power spectra for galaxy clustering and weak lensing

Angular two-point statistics of large-scale structure observables are important cosmological probes. To reach the high accuracy required by the statistical precision of future surveys, some of these statistics may need to be computed without the commonly employed Limber approximation; the exact computation however requires integration over Bessel functions, and a brute-force evaluation is slow to converge. Here, we present a new method based on our generalized FFTLog algorithm for the efficient computation of angular power spectra beyond the Limber approximation. The new method significantly simplifies the calculation and improves the numerical speed and stability. It is easily extended to handle integrals involving derivatives of Bessel functions, making it equally applicable to numerically more challenging cases such as contributions from redshift-space distortions and Doppler effects. We implement our method for galaxy clustering and galaxy-galaxy lensing power spectra. We find that using the Limber approximation for galaxy clustering in future analyses like LSST Year 1 and DES Year 6 may cause significant biases in cosmological parameters, indicating that going beyond the Limber approximation is necessary for these analyses.

weak gravitational lensing↗
DOE OSTI2014

Theory of melting at high pressures: Amending density functional theory with quantum Monte Carlo

We present an improved first-principles description of melting under pressure based on thermodynamic integration comparing Density Functional Theory (DFT) and quantum Monte Carlo (QMC) treatments of the system. The method is applied to address the longstanding discrepancy between density functional theory (DFT) calculations and diamond anvil cell (DAC) experiments on the melting curve of xenon, a noble gas solid where van der Waals binding is challenging for traditional DFT methods. The calculations show excellent agreement with data below 20 GPa and that the high-pressure melt curve is well described by a Lindemann behavior up to at least 80 GPa, a finding in stark contrast to DAC data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Effect of Misorientation and Preliminary Etching of the Substrate on the Structural and Optical Properties of Integrated GaAs/Si(100) Heterostructures Produced by Vapor Phase Epitaxy

It is shown for the first time that the structural and optical functional characteristics of integrated GaAs/Si(100) heterostructures can be controlled by using misoriented Si(100) substrates and their preliminary etching. The growth of an epitaxial GaAs layer on a Si substrate without the formation of antiphase domains can be carried out on a substrate deviated from the (100) singular plane by an angle smaller than 4°–6° or without a transition layer of GaAs nanocolumns. Preliminary treatment of the silicon substrate by etching makes it possible to use it for the vapor-phase epitaxial growth of a single-crystal GaAs film with a considerably smaller relaxation coefficient, which has a positive effect on the structural quality of the film. These data are in good agreement with the results of IR reflectance spectroscopy and photoluminescence and ultraviolet spectroscopy. The features of the optical properties of integrated GaAs/Si(100) heterostructures in the infrared and ultraviolet spectral regions are also defined by the relaxation coefficient.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Quantum partition functions of composite particles in a hydrogen-helium plasma via path integral Monte Carlo

We compute two- and three-body cluster functions that describe contributions of composite entities, like hydrogen atoms, ions H{sup −}, H{sub 2}{sup +}, and helium atoms, and also charge-charge and atom-charge interactions, to the equation of state of a hydrogen-helium mixture at low density. A cluster function has the structure of a truncated virial coefficient and behaves, at low temperatures, like a usual partition function for the composite entity. Our path integral Monte Carlo calculations use importance sampling to sample efficiently the cluster partition functions even at low temperatures where bound state contributions dominate. We also employ a new and efficient adaptive discretization scheme that allows one not only to eliminate Coulomb divergencies in discretized path integrals, but also to direct the computational effort where particles are close and thus strongly interacting. The numerical results for the two-body function agree with the analytically known quantum second virial coefficient. The three-body cluster functions are compared at low temperatures with familiar partition functions for composite entities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2010

Managing Demand and Capacity Using Multi-Sector Planning and Flexible Airspace: Human-in-the-Loop Evaluation of NextGen

When demand for an airspace sector exceeds capacity, the balance can be re-established by reducing the demand, increasing the capacity, or both. The Multi-Sector Planner (MSP) concept has been proposed to better manage traffic demand by modifying trajectories across multiple sectors. A complementary approach to MSP, called Flexible Airspace Management (FAM), reconfigures the airspace such that capacity can be reallocated dynamically to balance the traffic demand across multiple sectors, resulting in fewer traffic management initiatives. The two concepts have been evaluated with a series of human-in-the-loop simulations at the Airspace Operations Laboratory to examine and refine the roles of the human operators in these concepts, as well as their tools and procedural requirements. So far MSP and FAM functions have been evaluated individually but the integration of the two functions is desirable since there are significant overlaps in their goals, geographic/temporal scope of the problem space, and the implementation timeframe. Ongoing research is planned to refine the humans roles in the integrated concept.

Lee, Paul U.↗
NASA NTRS1973

A kernel function method for computing steady and oscillatory supersonic aerodynamics with interference.

The method presented uses a collocation technique with the nonplanar kernel function to solve supersonic lifting surface problems with and without interference. A set of pressure functions are developed based on conical flow theory solutions which account for discontinuities in the supersonic pressure distributions. These functions permit faster solution convergence than is possible with conventional supersonic pressure functions. An improper integral of a 3/2 power singularity along the Mach hyperbola of the nonplanar supersonic kernel function is described and treated. The method is compared with other theories and experiment for a variety of cases.

Cunningham, A. M., Jr.↗
NASA NTRS1985

Designing a configuration control mechanism for a flight software validation facility

Embedded computer systems and supporting operating systems have recently enabled the automation of many time-critical flight functions. This automation requires the integration of computer hardware and software, aircraft hardware, and the flight application. To properly integrate and control these critical functions requires a real-time environment that is provided by the onboard flight computer, a real-time operating system, and a real-time flight application that supplies the input commands to the aircraft and responds to the resulting actions. The increased complexity of developing and testing such real-time applications can best be supported by a separate test facility that provides the processing visibility and control which is virtually impossible in the actual real-time operating environment. Such a flight software validation facility has been developed at the NASA Langley Research Center to support applications using the Shuttle real-time language HAL/S. The development and control of this facility are described. Some of the management techniques used were project schedules, status monitoring, code walk-throughs, configuration control, phased releases, validation suites, and modern programming techniques.

Smith-Taylor, R.↗
NASA NTRS1990

CLIPS interface development tools and their application

A package of C-based PC user interface development functions has been developed and integrated into CLIPS. The primary function is ASK which provides a means to ask the user questions via multiple choice menus or the keyboard and then returns the user response to CLIPS. A parameter-like structure supplies information for the interface. Another function, SHOW, provides a means to paginate and display text. A third function, TITLE, formats and displays title screens. A similar set of C-based functions that are more general and thus will run on UNIX and machines have also been developed. Seven expert system applications were transformed from commercial development environments into CLIPS and utilize ASK, SHOW, and TITLE. Development of numerous new expert system applications using CLIPS and these interface functions has started. These functions greatly reduce the time required to build interfaces for CLIPS applications.

Engel, Bernard A.↗
NASA NTRS1990

Concepts in Distributed Scheduling and Control

To support instrument and experiment operations effectively in the Space Station era, planning, scheduling and control must allow for: interactive, realtime, remote operations; responsive scheduling and rescheduling; support of the full range of distributed science, application and commercial users; interaction and cooperation among distributed users; and efficient use of on-board, communications, and ground-based resources. We suggest conceptual and managerial approaches that address these needs. Specifically, we describe an approach to distributed planning, scheduling and control functions that is based on resources and on a distributed knowledge hierarchy. We describe these functions as components of an integrated management system. We discuss automated scheduling assistants and integration of planning and scheduling functions with realtime operations control. The suggested approach, taken from a users' point-of-view, has resulted in the Science User Resource Planning and Scheduling System (SURPASS). In this paper, we describe the major components of SURPASS and discuss the features of this innovative prototype. Further ideas concerning instrument planning, scheduling, and control may be found in the Space Station Instrument Control System Study.

Hansen, Elaine R.↗
DOE OSTI2019

Retrieval of high time resolution growth factor probability density function from a humidity-controlled fast integrated mobility spectrometer

Hygroscopicity describes the tendency of aerosol particle to uptake water and is among the key parameters in determining the impact of atmospheric aerosols on global radiation and climate. A hygroscopicity tandem differential mobility analyzer (HTDMA) system is the most widely utilized instrument for determining the aerosol hygroscopic growth. Because of the time needed to scan the classifying voltage of the DMA, HTDMA measurement normally requires a minimum of 30 min to characterize the particle hygroscopic growth at a single relative humidity for five to six different sizes. This slow speed is often inadequate for measurements onboard mobile platforms or when aerosols evolve rapidly. Recently, a humidity-controlled fast integrated mobility spectrometer (HFIMS) was developed for measuring the hygroscopic growth of particles. The measurement speed of the HFIMS is about one order of magnitude faster than that of the conventional HTDMA. Here, a data inversion routine is developed to retrieve the growth factor probability density function (GF-PDF) of particles measured by the HFIMS. The inversion routine considers the transfer functions of the upstream DMA and the downstream water-based fast integrated mobility spectrometer (FIMS), and derives the GF-PDF that reproduces the measured responses of the HFIMS. The performance of the inversion routine is examined using ambient measurements with different assumptions for the spectral shape of the particle GF-PDF (multimodal lognormal or piecewise linear). The influences of the data inversion parameters and counting statistics on the inverted GF-PDFs were further investigated, and an approach to determine the optimized inversion parameters is presented.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Evaluation of Joint Cyber/Safety Risk in Nuclear Power Systems

This report presents an analysis of the Emergency Core Cooling System (ECCS) for a generic Boiling Water Reactor (BWR)-4 NPP. The Electric Power Research Institute (EPRI) developed Hazards and Consequences Analysis for Digital Systems (HAZCADS) process is applied to the ECCS and its subsystems to identify unsafe control actions (UCAs) which act as possible cyber events of concern. The analysis is performed for two design basis events: Small-break Loss of Coolant Accident (SLOCA) and general transients (TRANS), such as unintended reactor trip. In previous work, HAZCADS UCAs were combined with other cyber-attack analysis to develop a risk-informed approach; however, this was for a single system. This report explores advanced systems engineering modeling approaches to model the interactions between digital assets across multiple systems which may be targeted by cyber adversaries. The complex and interdependent design of digital systems has the potential to introduce emergent cyber properties that are generally not covered by hazard analyses nor formal nuclear Probabilistic Risk Assessment (PRA). The R&D and supporting analysis presented here explores approaches to predict and manage how interdependent system properties effect risk. To show the potential impact of a successful cyber-attack to formal PRA event tree probabilities, HAZCADS analysis was also used. HAZCADS was also used to model the automatic depressurization system (ADS) automatic actuation. This analysis extended to an integrated system analysis for common-cause failure (CCF). In this aspect, the HAZCADS analysis continued by analyzing plant design details for system connectivity in support of critical plant functions. A dependency matrix was developed to depict the integrated functionality of the interconnected systems. Areas of potential CCF are indicated. Future work could include adversary attack development to show how CCF could be caused, resulting in PRA events. Across the multiple systems that comprise the ECCS, the analysis shows that the change in such probabilities was very different between systems. This indicates that some systems have a larger potential risk impact from successful cyber-attack or digital failure, which indicates a need for these systems to have a higher priority for design and defensive measures. Furthermore, we were able to establish that a risk analysis using any arbitrary threat model establishes an ordering of components with regard to cyber-risk. This ordering can be used to influence the overall system design with an eye to lowering risk, or as a way to understand real-time risk to operational systems based on a current threat landscape. Expert knowledge of both the analysis process and the system being analyzed is required to perform a HAZCADS analysis. The need for a tiered risk analysis is demonstrated by the results of this report.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1986

Free vibration analysis by BEM using particular integrals

A new method for the free-vibration analysis using the boundary element technique is presented. The method utilizes a fictitious vector function to approximate the inertia forces and then uses the well-known concept of complementary functions and particular integrals to solve the resulting governing differential equations. The necessary particular integrals are defined for the two and three-dimensional analyses, and the present formulation is applied to a number of two-dimensional problems to show its accuracy and efficiency in the solution of realistic engineering problems.

Ahmad, S.↗
NASA NTRS1992

Numerical evaluation of the incomplete airy functions and their application to high frequency scattering and diffraction

The incomplete Airy integrals serve as canonical functions for the uniform ray optical solutions to several high frequency scattering and diffraction problems that involve a class of integrals characterized by two stationary points that are arbitrarily close to one another or to an integration endpoint. Integrals of such analytical properties describe transition region phenomena associated with composite shadow boundaries. An efficient and accurate method for computing the incomplete Airy functions would make the solutions to such problems useful for engineering purposes. Here, a convergent series solution form for the incomplete Airy functions is derived. Asymptotic expansions involving several terms were also developed and serve as large argument approximations. The combination of the series solution form with the asymptotic formulae provides for an efficient and accurate computation of the incomplete Airy functions. Validation of accuracy is accomplished using direct numerical integration data.

Constantinides, E. D.↗