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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 127 records · Page 7

Numerical Viscous Flow Analysis of an Advanced Semispan Diamond-Wing Model at High-Life Conditions

Turbulent Navier-Stokes computational results are presented for an advanced diamond wing semispan model at low speed, high-lift conditions. The numerical results are obtained in support of a wind-tunnel test that was conducted in the National Transonic Facility (NTF) at the NASA Langley Research Center. The model incorporated a generic fuselage and was mounted on the tunnel sidewall using a constant width standoff. The analyses include: (1) the numerical simulation of the NTF empty, tunnel flow characteristics; (2) semispan high-lift model with the standoff in the tunnel environment; (3) semispan high-lift model with the standoff and viscous sidewall in free air; and (4) semispan high-lift model without the standoff in free air. The computations were performed at conditions that correspond to a nominal approach and landing configuration. The wing surface pressure distributions computed for the model in both the tunnel and in free air agreed well with the corresponding experimental data and they both indicated small increments due to the wall interference effects. However, the wall interference effects were found to be more pronounced in the total measured and the computed lift, drag and pitching moment due to standard induced up-flow effects. Although the magnitudes of the computed forces and moment were slightly off compared to the measured data, the increments due the wall interference effects were predicted well. The numerical predictions are also presented on the combined effects of the tunnel sidewall boundary layer and the standoff geometry on the fuselage fore-body pressure distributions and the resulting impact on the overall configuration longitudinal aerodynamic characteristics.

Ghaffari, F.↗

Fully variational incremental CASSCF

We report the complete-active-space self-consistent field (CASSCF) method is a canonical electronic structure theory that holds a central place in conceptualizing and practicing first principles simulations. For application to realistic molecules, however, the CASSCF must be approximated to circumvent its exponentially scaling computational costs. Applying the many-body expansion - also known as the method of increments - to CASSCF (iCASSCF) has been shown to produce a polynomially scaling method that retains much of the accuracy of the parent theory and is capable of treating full valence active spaces. Due to an approximation made in the orbital gradient, the orbital parameters of the original iCASSCF formulation could not be variationally optimized, which limited the accuracy of its nuclear gradient. Herein, a variational iCASSCF is introduced and implemented, where all parameters are fully optimized during energy minimization. This method is able to recover electronic correlations from the full valence space in large systems, produce accurate gradients, and optimize stable geometries as well as transition states. Demonstrations on challenging test cases, such as the oxoMn(salen)Cl complex with 84 electrons in 84 orbitals and the automerization of cyclobutadiene, show that the fully variational iCASSCF is a powerful tool for describing challenging molecular chemistries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Boundary value problems with incremental plasticity in granular media

Discussion of the critical state concept in terms of an incremental theory of plasticity in granular (soil) media, and formulation of the governing equations which are convenient for a computational scheme using the finite element method. It is shown that the critical state concept with its representation by the classical incremental theory of plasticity can provide a powerful means for solving a wide variety of boundary value problems in soil media.

Chung, T. J.↗

Dehydroxylation kinetics of kaolinite and montmorillonite examined using isoconversional methods

The use of calcined clays as supplementary cementitious materials (SCMs) in concrete is a promising strategy towards decarbonizing the cement and concrete industry. This is especially relevant considering the ever-increasing demand for concrete. Comprehensive understanding of the kinetics of calcination is essential towards maximizing the potential reactivity of clay minerals while ensuring energy efficiency. In this study, the kinetics of the dehydroxylation of kaolinite and montmorillonite are investigated under non-isothermal conditions at constant heating rate. Activation energies ( E a ) are determined via Friedman differential and advanced Vyazovkin incremental methods over the isoconversional range; these are devoid of computational approximations, thus allowing kinetic analysis without assuming a specific reaction model. Kinetic equations—in the differential form as well as a combination of differential and integral forms are compared against the experimentally determined reaction models to identify the most probable dehydroxylation mechanism for kaolinite and montmorillonite. A reaction order mechanism is established for dehydroxylation of kaolinite, while montmorillonite is noted to undergo dehydroxylation via a single-step reversible diffusion-controlled process. Kinetic triplet—comprising activation energy, reaction model and pre-exponential factor—is used to predict isothermal calcination conditions, which is further verified using analytical techniques. Heat release rates of clay-portlandite blends from isothermal calorimetry are used within a thermodynamic framework to quantify reactivity of the calcined clays. Here, the study demonstrates a general approach based on isoconversional methods to predict calcination conditions for different clays that can be used in efficient and optimized production of blended cements or SCMs.

36 MATERIALS SCIENCE↗

Sensitivity aspects of linear digital control systems.

Linear computer-controlled closed loop systems sensitivity analysis, deriving estimation error incremental covariance to demonstrate quality deterioration under perturbed initial conditions, parameters, etc

Christie, L. A.↗

Ground-effect analysis of a jet transport airplane

An analysis of the ground effect of a jet transport airplane has been made. Data were obtained from recent flight tests primarily using the constant angle-of-attack approach technique. Reasonable results were obtained for ground-effect pitching moment and lift increments. These were compared with data from other sources, including computations, wind tunnel, and previous flight test. A recommended ground-effect model was developed from the results. A brief simulator study was conducted to determine the sensitivity of a particular configuration to this ground-effect model and its associated uncertainty.

Curry, R. E.↗

Ground-effect analysis of a jet transport airplane

An analysis of the ground effect of a jet transport airplane has been made. Data were obtained from recent flight tests primarily using the constant angle-of-attack approach technique. Reasonable results were obtained for ground-effect pitching moment and lift increments. These were compared with data from other sources, including computations, wind tunnel, and previous flight tests. A recommended ground-effect model was developed from the results. A brief simulator study was conducted to determine the sensitivity of a particular configuration to this ground-effect model and its associated uncertainty.

Curry, R. E.↗

Radiation from Rocket Exhaust Plumes: Inhomogeneous Radiant Heat Transfer from Saturn Type Rocket Exhaust Plumes - Part 1

A radiant heat transfer computer program has been developed by R-AERO-A to calculate radiation from inhomogeneous gases prevalent in Saturn-type exhaust plumes. The radiating species considered in this computer program are water vapor, carbon dioxide, carbon monoxide and carbon particles. The infrared spectral absorption characteristics of these species have been determined under NASA contract. Band model parameters have been used to represent the infrared spectral absorption coefficients over 25 cm-I increments. A modified Curtis-Goodson approximation is used in the inhomogeneous heat transfer calculation. This has been shown to give satisfactory results over the temperature and pressure range of interest in Saturn exhaust plumes. Results are shown for the Saturn-type engines for specific flow field assumptions. Some comparison with experimental spectroscopic data will also be presented. The effect of wavelength increment, field of view, and distance increment along the line of sight on the heat transfer will be discussed. Computer techniques for minimum computer time in calculating radiation from a three-dimensional flow field will also be outlined.

Huffaker, Robert M.↗

Reconstruction of Charged Particle Tracks in Realistic Detector Geometry Using a Vectorized and Parallelized Kalman Filter Algorithm

One of the most computationally challenging problems expected for the High-Luminosity Large Hadron Collider (HL-LHC) is finding and fitting particle tracks during event reconstruction. Algorithms used at the LHC today rely on Kalman filtering, which builds physical trajectories incrementally while incorporating material e ects and error estimation. Recognizing the need for faster computational throughput, we have adapted Kalman-filterbased methods for highly parallel, many-core SIMD and SIMT architectures that are now prevalent in high-performance hardware. Previously we observed significant parallel speedups, with physics performance comparable to CMS standard tracking, on Intel Xeon, Intel Xeon Phi, and (to a limited extent) NVIDIA GPUs. While early tests were based on artificial events occurring inside an idealized barrel detector, we showed subsequently that our mkFit software builds tracks successfully from complex simulated events (including detector pileup) occurring inside a geometrically accurate representation of the CMS-2017 tracker. Here, we report on advances in both the computational and physics performance of mkFit, as well as progress toward integration with CMS production software. Recently we have improved the overall eciency of the algorithm by preserving short track candidates at a relatively early stage rather than attempting to extend them over many layers. Moreover, mkFit formerly produced an excess of duplicate tracks; these are now explicitly removed in an additional processing step. We demonstrate that with these enhancements, mkFit becomes a suitable choice for the first iteration of CMS tracking, and eventually for later iterations as well. We plan to test this capability in the CMS High Level Trigger during Run 3 of the LHC, with an ultimate goal of using it in both the CMS HLT and oine reconstruction for the HL-LHC CMS tracker.

Cerati, Giuseppe↗

Development, Verification and Use of Gust Modeling in the NASA Computational Fluid Dynamics Code FUN3D

This paper presents the implementation of gust modeling capability in the CFD code FUN3D. The gust capability is verified by computing the response of an airfoil to a sharp edged gust. This result is compared with the theoretical result. The present simulations will be compared with other CFD gust simulations. This paper also serves as a users manual for FUN3D gust analyses using a variety of gust profiles. Finally, the development of an Auto-Regressive Moving-Average (ARMA) reduced order gust model using a gust with a Gaussian profile in the FUN3D code is presented. ARMA simulated results of a sequence of one-minus-cosine gusts is shown to compare well with the same gust profile computed with FUN3D. Proper Orthogonal Decomposition (POD) is combined with the ARMA modeling technique to predict the time varying pressure coefficient increment distribution due to a novel gust profile. The aeroelastic response of a pitch/plunge airfoil to a gust environment is computed with a reduced order model, and compared with a direct simulation of the system in the FUN3D code. The two results are found to agree very well.

Bartels, Robert E.↗

A procedure for the determination of the effect of fuselage nose bluntness on the wave drag of supersonic cruise aircraft

The incremental wave drag penalty due to nose blunting of a fuselage was investigated using a three dimensional finite difference scheme. An aircraft typical of current supersonic cruise concepts was considered. Computational problems with the finite difference scheme as the fuselage afterbody closes were addressed. A linear theory method was employed to compute the afterbody aerodynamics and effectively extends the finite difference scheme to closing afterbodies. Acceptable drag increments for various levels of nose bluntness were demonstrated using this approach.

Walkley, K. B.↗

High Temperature Composite Analyzer (HITCAN) demonstration manual, version 1.0

This manual comprises a variety of demonstration cases for the HITCAN (HIgh Temperature Composite ANalyzer) code. HITCAN is a general purpose computer program for predicting nonlinear global structural and local stress-strain response of arbitrarily oriented, multilayered high temperature metal matrix composite structures. HITCAN is written in FORTRAN 77 computer language and has been configured and executed on the NASA Lewis Research Center CRAY XMP and YMP computers. Detailed description of all program variables and terms used in this manual may be found in the User's Manual. The demonstration includes various cases to illustrate the features and analysis capabilities of the HITCAN computer code. These cases include: (1) static analysis, (2) nonlinear quasi-static (incremental) analysis, (3) modal analysis, (4) buckling analysis, (5) fiber degradation effects, (6) fabrication-induced stresses for a variety of structures; namely, beam, plate, ring, shell, and built-up structures. A brief discussion of each demonstration case with the associated input data file is provided. Sample results taken from the actual computer output are also included.

Singhal, S. N↗

Accelerating uncertainty quantification in incremental dynamic analysis using dimension reduction-based surrogate modeling

We propose a surrogate modeling framework based on dimension reduction to facilitate the quantification of seismic risk of structural systems in performance-based earthquake engineering. The framework adopts incremental dynamic analysis (IDA) for addressing hazard variability, and promotes significant computational efficiency improvement for propagating epistemic uncertainties associated with the structural models. It utilizes both linear and nonlinear dimension reduction approaches, equipped with inverse mappings, to learn a functional between the input parameter space (e.g., the epistemic uncertainties of the structure) to the high-dimensional output space created through the IDA implementation across different ground motions and seismic intensity levels. Polynomial chaos expansion is adopted as the surrogate model to learn this functional in the reduced space. A nine-story steel moment-resisting frame with uncertain structural properties is used as a testbed. Furthermore, we select the seismic fragility curves as a measure of the structure’s seismic performance, since it provides an estimate of the probability of entering specified damage states for given levels of ground shaking.

42 ENGINEERING↗

Automation of Data Traffic Control on DSM Architecture

The design of distributed shared memory (DSM) computers liberates users from the duty to distribute data across processors and allows for the incremental development of parallel programs using, for example, OpenMP or Java threads. DSM architecture greatly simplifies the development of parallel programs having good performance on a few processors. However, to achieve a good program scalability on DSM computers requires that the user understand data flow in the application and use various techniques to avoid data traffic congestions. In this paper we discuss a number of such techniques, including data blocking, data placement, data transposition and page size control and evaluate their efficiency on the NAS (NASA Advanced Supercomputing) Parallel Benchmarks. We also present a tool which automates the detection of constructs causing data congestions in Fortran array oriented codes and advises the user on code transformations for improving data traffic in the application.

Frumkin, Michael↗

An Overview of NASA's Intelligent Systems Program

NASA and the Computer Science Research community are poised to enter a critical era. An era in which - it seems - that each needs the other. Market forces, driven by the immediate economic viability of computer science research results, place Computer Science in a relatively novel position. These forces impact how research is done, and could, in worst case, drive the field away from significant innovation opting instead for incremental advances that result in greater stability in the market place. NASA, however, requires significant advances in computer science research in order to accomplish the exploration and science agenda it has set out for itself. NASA may indeed be poised to advance computer science research in this century much the way it advanced aero-based research in the last.

Cooke, Daniel E.↗

A Systematic, Polynomial-Cost Approach to Exact Correlation Energies (Final Technical Report)

The full configuration interaction (FCI) wave function provides the exact solution to the Schrödinger equation in a given basis set. While FCI is intractable due to exponential computational costs, the many-body expansion (or the method of increments) can reduce scaling to a low-order polynomial with system size. This project entailed advances in the incremental FCI (iFCI) approach, designed to allow iFCI to reach larger system sizes and maintain its intrinsic high accuracy. This document describes advances in solvers for iFCI, strategies to treat multiple charge and spin states, and virtual state management methods to reduce memory requirements. Overall, this project allows iFCI to correlate (for the first time) 142 valence electrons in 444 orbitals in a realistic model of a transition metal complex.

74 ATOMIC AND MOLECULAR PHYSICS↗

Stability/Instability Analysis of Rotating Machinery

Numerical index of stability calculated for nonlinear system. Technique for determining rotor stability or instability from analysis of measurements adapted for use with computer simulations of rotor motion. Involves calculation of log decrement or increment of vibration amplitude. Applicable to rotors mounted in loose bearings and to similar problems in which load-versus-deflection characteristics nonlinear. Developed for assessments of vibrational characteristics of turbopump rotors, technique also usable with such mechanisms as high-speed ball bearings.

Powers, Richard W.↗

NASA/NBS (National Aeronautics and Space Administration/National Bureau of Standards) standard reference model for telerobot control system architecture (NASREM)

The document describes the NASA Standard Reference Model (NASREM) Architecture for the Space Station Telerobot Control System. It defines the functional requirements and high level specifications of the control system for the NASA space Station document for the functional specification, and a guideline for the development of the control system architecture, of the 10C Flight Telerobot Servicer. The NASREM telerobot control system architecture defines a set of standard modules and interfaces which facilitates software design, development, validation, and test, and make possible the integration of telerobotics software from a wide variety of sources. Standard interfaces also provide the software hooks necessary to incrementally upgrade future Flight Telerobot Systems as new capabilities develop in computer science, robotics, and autonomous system control.

Albus, James S.↗