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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Face Gear Drive With Helical Involute Pinion: Geometry, Generation by a Shaper and a Worm, Avoidance of Singularities and Stress Analysis

A new type of face-gear drive with intersected axes of rotation formed by a helical involute pinion and conjugated face-gear has been investigated. Generation of face-gears by a shaper free of undercutting and pointing has been investigated. A new method of grinding or cutting of face-gears by a worm of special shape has been developed. A computerized design procedure has been developed to avoid undercutting and pointing by a shaper or by a generating worm. Also, a method to determine the limitations of the helix angle magnitude has been developed. The method provides a localization of the bearing contact to reduce the shift of bearing contact caused by misalignment. The analytical method provides a simulation of the meshing and contact of misaligned gear drives. An automatic mesh generation method has been developed and used to conduct a 3D contact stress analysis of several teeth. The theory developed is illustrated with several examples.

Litvin, Faydor L.↗
NASA NTRS1975

Use of numerically generated body-fitted coordinate systems for solution of the Navier-Stokes equations

A procedure for numerical solution of the time-dependent, two-dimensional incompressible Navier-Stokes equations that can treat the unsteady laminar flow about bodies of arbitrary shape, such as two-dimensional airfoils, multiple airfoils, and submerged hydrofoils, as naturally as it can deal with the flow about simple bodies. The solution is based on a method of automatic numerical generation of a general curvilinear coordinate system with coordinate lines coincident with all boundaries of a general multiconnected region containing any number of arbitrarily shaped bodies. The curvilinear coordinates are generated as the solution of two elliptical partial differential equations with Dirichlet boundary conditions, one coordinate being specified to be constant on each of the boundaries, and a distribution of the other being specified along the boundaries. The solution compares excellently with the Blasius boundary layer solution for the flow past a semiinfinite flat plate.

Thompson, J. F.↗
DOE OSTI2022

Software Verification Toolkit (SVT): Survey on Available Software Verification Tools and Future Direction

Writing software is difficult. However, writing complex, well tested and designed, and functionally correct software is incredibly difficult. An entire field of study is devoted to the validation and verification of software to address this problem, and in this paper we analyze the landscape of currently available third party software. We have divided our analyses into three separate subsections with regards to software validation: formal methods, static analysis, and test generation. Formal verification is the most complex method in which to validate software correctness, but also the most thorough as it truly validates the mathematical validity of the source code. Static analysis generally is relegated to abstract syntax tree traversal techniques to find errors related to faulty software such as memory leaks or stack overflow issues. Automatic test generation is similar in implementation to static analysis, but pushes a bit further in verifying the boundedness of function inputs and outputs with regards to annotated or parsed criteria. The crux of this report is to analyze and describe the software tools that implement these techniques to validate and verify software. Pros and cons related to installation, utilization, and capabilities of the frameworks are described, and reproducible examples are provided with a focus on usability. The initial survey concluded that the most interesting tools of note are Z3, Isabelle/HOL, and TLA+ with regards to formal verification; and Infer, Frama-C, and SonarQube with regards to static analysis. With these tools in mind, a final conjecture is provided that describes future avenues of utilizing these tools for developing a verification framework to assist in validating existing software at Sandia National Laboratories.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

Infrared systems and components II; Proceedings of the Meeting, Los Angeles, CA, Jan. 14, 15, 1988

The present conference on the development status of IR electrooptics technologies discusses topics concerning such systems' materials and architectures, their modeling and data processing requirements, and advancements in IR automatic target recognition. Attention is given to active multispectral three-dimensional vision sensor image evaluation, a VHSIC processor-based real-time image tracker, the use of Al-alloy castings as diamond machining substrates for optical surfaces, a two-dimensional recognition range model, calculations of the optical blurring in IR systems, synthetic IR scene generation, and automatic target recognition evaluation.

Liaw, H. M.↗
NASA NTRS1995

Advanced Methodology for Simulation of Complex Flows Using Structured Grid Systems

Detailed simulations of viscous flows in complicated geometries pose a significant challenge to current capabilities of Computational Fluid Dynamics (CFD). To enable routine application of CFD to this class of problems, advanced methodologies are required that employ (a) automated grid generation, (b) adaptivity, (c) accurate discretizations and efficient solvers, and (d) advanced software techniques. Each of these ingredients contributes to increased accuracy, efficiency (in terms of human effort and computer time), and/or reliability of CFD software. In the long run, methodologies employing structured grid systems will remain a viable choice for routine simulation of flows in complex geometries only if genuinely automatic grid generation techniques for structured grids can be developed and if adaptivity is employed more routinely. More research in both these areas is urgently needed.

Steinthorsson, Erlendur↗
NASA NTRS1995

Grid generation and surface modeling for CFD

When computing the flow around complex three dimensional configurations, the generation of the mesh is the most time consuming part of any calculation. With some meshing technologies this can take of the order of a man month or more. The requirement for a number of design iterations coupled with ever decreasing time allocated for design leads to the need for a significant acceleration of this process. Of the two competing approaches, block-structured and unstructured, only the unstructured approach will allow fully automatic mesh generation directly from a CAD model. Using this approach coupled with the techniques described in this paper, it is possible to reduce the mesh generation time from man months to a few hours on a workstation. The desire to closely couple a CFD code with a design or optimization algorithm requires that the changes to the geometry be performed quickly and in a smooth manner. This need for smoothness necessitates the use of Bezier polynomials in place of the more usual NURBS or cubic splines. A two dimensional Bezier polynomial based design system is described.

Connell, Stuart D.↗
NASA NTRS1998

Geometry Modeling and Grid Generation for Design and Optimization

Geometry modeling and grid generation (GMGG) have played and will continue to play an important role in computational aerosciences. During the past two decades, tremendous progress has occurred in GMGG; however, GMGG is still the biggest bottleneck to routine applications for complicated Computational Fluid Dynamics (CFD) and Computational Structures Mechanics (CSM) models for analysis, design, and optimization. We are still far from incorporating GMGG tools in a design and optimization environment for complicated configurations. It is still a challenging task to parameterize an existing model in today's Computer-Aided Design (CAD) systems, and the models created are not always good enough for automatic grid generation tools. Designers may believe their models are complete and accurate, but unseen imperfections (e.g., gaps, unwanted wiggles, free edges, slivers, and transition cracks) often cause problems in gridding for CSM and CFD. Despite many advances in grid generation, the process is still the most labor-intensive and time-consuming part of the computational aerosciences for analysis, design, and optimization. In an ideal design environment, a design engineer would use a parametric model to evaluate alternative designs effortlessly and optimize an existing design for a new set of design objectives and constraints. For this ideal environment to be realized, the GMGG tools must have the following characteristics: (1) be automated, (2) provide consistent geometry across all disciplines, (3) be parametric, and (4) provide sensitivity derivatives. This paper will review the status of GMGG for analysis, design, and optimization processes, and it will focus on some emerging ideas that will advance the GMGG toward the ideal design environment.

Samareh, Jamshid A.↗
NASA NTRS1999

Airplane Mesh Development with Grid Density Studies

Automatic Grid Generation Wish List Geometry handling, including CAD clean up and mesh generation, remains a major bottleneck in the application of CFD methods. There is a pressing need for greater automation in several aspects of the geometry preparation in order to reduce set up time and eliminate user intervention as much as possible. Starting from the CAD representation of a configuration, there may be holes or overlapping surfaces which require an intensive effort to establish cleanly abutting surface patches, and collections of many patches may need to be combined for more efficient use of the geometrical representation. Obtaining an accurate and suitable body conforming grid with an adequate distribution of points throughout the flow-field, for the flow conditions of interest, is often the most time consuming task for complex CFD applications. There is a need for a clean unambiguous definition of the CAD geometry. Ideally this would be carried out automatically by smart CAD clean up software. One could also define a standard piece-wise smooth surface representation suitable for use by computational methods and then create software to translate between the various CAD descriptions and the standard representation. Surface meshing remains a time consuming, user intensive procedure. There is a need for automated surface meshing, requiring only minimal user intervention to define the overall density of mesh points. The surface mesher should produce well shaped elements (triangles or quadrilaterals) whose size is determined initially according to the surface curvature with a minimum size for flat pieces, and later refined by the user in other regions if necessary. Present techniques for volume meshing all require some degree of user intervention. There is a need for fully automated and reliable volume mesh generation. In addition, it should be possible to create both surface and volume meshes that meet guaranteed measures of mesh quality (e.g. minimum and maximum angle, stretching ratios, etc.).

Cliff, Susan E.↗
DOE OSTI2022

ADG: automated generation and evaluation of many-body diagrams

The goal of the present paper is twofold. First, a novel expansion many-body method applicable to superfluid open-shell nuclei, the so-called Bogoliubov in-medium similarity renormalization group (BIMSRG) theory, is formulated. This generalization of standard single-reference IMSRG theory for closed-shell systems parallels the recent extensions of coupled cluster, self-consistent Green’s function or many-body perturbation theory. Within the realm of IMSRG theories, BIMSRG provides an interesting alternative to the already existing multi-reference IMSRG (MR-IMSRG) method applicable to open-shell nuclei. The algebraic equations for low-order approximations, i.e., BIMSRG(1) and BIMSRG(2), can be derived manually without much difficulty. However, such a methodology becomes already impractical and error prone for the derivation of the BIMSRG(3) equations, which are eventually needed to reach high accuracy. Based on a diagrammatic formulation of BIMSRG theory, the second objective of the present paper is thus to describe the third version (v3.0) of the code that automatically (1) generates all valid BIMSRG(n) diagrams and (2) evaluates their algebraic expressions in a matter of seconds. This is achieved in such a way that equations can easily be retrieved for both the flow equation and the Magnus expansion formulations of BIMSRG. Expanding on this work, the first future objective is to numerically implement BIMSRG(2) (eventually BIMSRG(3)) equations and perform ab initio calculations of mid-mass open-shell nuclei.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1988

A linearized model of helicopter dynamics including correlation with flight test

A linearized model for rotorcraft dynamics has been developed through the use of symbolic automatic equation generation techniques. The dynamic model has been formulated in a unique way such that it can be used to analyze a variety of rotor/body coupling problems including a rotor mounted on a flexible shaft with a number of modes as well as free flight stability and control characteristics. Direct comparison of the time response to longitudinaol, lateral and directional control inputs at various trim conditions shows that the linear model yields good to very good correlation with flight test. In particular it is also shown that a dynamic inflow model is essential to obtain good time response correlation especially for the hover trim condition and also that at translational flight trim conditions the main rotor wake interaction with the tail rotor and fixed tail surfaces is a significant contributor to the response. A relatively simple model for the downwash and sidewash at tail surfaces based on flat vortex wake theory is shown to produce good agreement. Finaly, the influence of rotor flap and lag dynamics on automatic control systems feedback gain limitations is investigated with the model.

Curtiss, H. C.↗
NASA NTRS1988

A study of helicopter stability and control including blade dynamics

A linearized model of rotorcraft dynamics has been developed through the use of symbolic automatic equation generating techniques. The dynamic model has been formulated in a unique way such that it can be used to analyze a variety of rotor/body coupling problems including a rotor mounted on a flexible shaft with a number of modes as well as free-flight stability and control characteristics. Direct comparison of the time response to longitudinal, lateral and directional control inputs at various trim conditions shows that the linear model yields good to very good correlation with flight test. In particular it is shown that a dynamic inflow model is essential to obtain good time response correlation, especially for the hover trim condition. It also is shown that the main rotor wake interaction with the tail rotor and fixed tail surfaces is a significant contributor to the response at translational flight trim conditions. A relatively simple model for the downwash and sidewash at the tail surfaces based on flat vortex wake theory is shown to produce good agreement. Then, the influence of rotor flap and lag dynamics on automatic control systems feedback gain limitations is investigated with the model. It is shown that the blade dynamics, especially lagging dynamics, can severly limit the useable values of the feedback gain for simple feedback control and that multivariable optimal control theory is a powerful tool to design high gain augmentation control system. The frequency-shaped optimal control design can offer much better flight dynamic characteristics and a stable margin for the feedback system without need to model the lagging dynamics.

Zhao, Xin↗
NASA NTRS1971

Design and Performance of a Gas Chromatograph for Automatic Monitoring of Pollutants in Ambient Air

In recent years, interest in air pollution constituents has focused on carbon monoxide and hydrocarbons as prime components of polluted air. Instrumental methods have been developed, and commercial instruments for continuous monitoring of these components have been available for a number of years. For the measurement of carbon monoxide, non-dispersive infrared spectroscopy has been the accepted tool, in spite of its marginal sensitivity at low parts-per-million levels. For continuously monitoring total hydrocarbons, the hydrogen flame ionization analyzer has been widely accepted as the preferred method. The inadequacy of this latter method became evident when it was concluded that methane is non-reactive and cannot be considered a contaminant even though present at over 1 ppm in the earth's atmosphere. Hence, the need for measuring methane separately became apparent as a means of measuring the reactive and potentially harmful non-methane hydrocarbons fraction. A gas chromatographic method for the measurement of methane and total hydrocarbons which met these requirements has been developed. In this technique, methane was separated on conventional gas chromatographic columns and detected by a hydrogen flame ionization detector (FID) while the total hydrocarbons were obtained by introducing a second sample directly into the FID without separating the various components. The reactive, or non-methane hydrocarbons, were determined by difference. Carbon monoxide was also measured after converting to methane over a heated catalyst to render it detectable by the FID. The development of this method made it possible to perform these measurements with a sensitivity of as much as 1 ppm full scale and a minimum detectability of 20 ppb. Incorporating this technique, criteria were developed by APCO for a second generation continuous automatic instrument for atmospheric monitoring stations.

Villalobos, R.↗
DOE OSTI2025

Fragme∩t: An Open‐Source Framework for Multiscale Quantum Chemistry Based on Fragmentation

Fragment-based quantum chemistry offers a means to circumvent the nonlinear computational scaling of conventional electronic structure calculations, by partitioning a large calculation into smaller subsystems then considering the many-body interactions between them. Variants of this approach have been used to parameterize classical force fields and machine learning potentials, applications that benefit from interoperability between quantum chemistry codes. However, there is a dearth of software that provides interoperability yet is purpose-built to handle the combinatorial complexity of fragment-based calculations. To fill this void we introduce “Fragme∩t”, an open-source software application that provides a tool for community validation of fragment-based methods, a platform for developing new approximations, and a framework for analyzing many-body interactions. Fragme∩t includes algorithms for automatic fragment generation and structure modification, and for distance- and energy-based screening of the requisite subsystems. Checkpointing, database management, and parallelization are handled internally and results are archived in a portable database. Interfaces to various quantum chemistry engines are easy to write and exist already for Q-Chem, PySCF, xTB, Orca, CP2K, MRCC, Psi4, NWChem, GAMESS, and MOPAC. Applications reported here demonstrate parallel efficiencies around 96% on more than 1000 processors but also showcase that the code can handle large-scale protein fragmentation using only workstation hardware, all with a codebase that is designed to be usable by non-experts. Fragme∩t conforms to modern software engineering best practices and is built upon well established technologies including Python, SQLite, and Ray. The source code is available under the Apache 2.0 license.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Design and evaluation of large area strip sensor prototypes for the ATLAS Inner Tracker detector

The ATLAS community is facing the last stages prior to the production of the upgraded silicon strip Inner Tracker for the High-Luminosity Large Hadron Collider. An extensive Market Survey was carried out in order to evaluate the capability of different foundries to fabricate large area silicon strip sensors, satisfying the ATLAS specifications. The semiconductor manufacturing company, Infineon Technologies AG, was one of the two foundries, along with Hamamatsu Photonics K.K., that reached the last stage of the evaluation for the production of the new devices. The full prototype wafer layout for the participation of Infineon, called ATLAS17LS-IFX, was designed using a newly developed Python-based Automatic Layout Generation Tool, able to rapidly design sensors with different characteristics and dimensions based on a few geometrical and technological input parameters. Here we present the layout design process and the results obtained from the evaluation of the new Infineon large area sensors before and after proton and neutron irradiations, up to fluences expected in the inner layers of the future ATLAS detector.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

N 5 -Scaling Excited-State-Specific Perturbation Theory

In this paper, we show that by working in a basis similar to that of the natural transition orbitals and using a modified zeroth-order Hamiltonian, the cost of a recently introduced perturbative correction to excited-state mean field theory can be reduced from seventh to fifth order in the system size. The (occupied) 2 (virtual) 3 asymptotic scaling matches that of ground-state second-order Møller-Plesset theory but with a significantly higher prefactor because the bottleneck is iterative: it appears in the Krylov-subspace-based solution of the linear equation that yields the first-order wave function. Here, we discuss the details of the modified zeroth-order Hamiltonian we use to reduce the cost and the automatic code generation process we used to derive and verify the cost scaling of the different terms. Overall, we find that our modifications have little impact on the method's accuracy, which remains competitive with singles and doubles equation-of-motion coupled cluster.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗