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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 145 records · Page 8

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DOE OSTI2012

Gas-Phase Molecular Dynamics: Theoretical Studies In Spectroscopy and Chemical Dynamics

The main goal of this program is the development and application of computational methods for studying chemical reaction dynamics and molecular spectroscopy in the gas phase. We are interested in developing rigorous quantum dynamics algorithms for small polyatomic systems and in implementing approximate approaches for complex ones. Particular focus is on the dynamics and kinetics of chemical reactions and on the rovibrational spectra of species involved in combustion processes. This research also explores the potential energy surfaces of these systems of interest using state-of-the-art quantum chemistry methods, and extends them to understand some important properties of materials in condensed phases and interstellar medium as well as in combustion environments.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2010

Gas-Phase Molecular Dynamics: Theoretical Studies in Spectroscopy and Chemical Dynamics

The goal of this program is the development and application of computational methods for studying chemical reaction dynamics and molecular spectroscopy in the gas phase. We are interested in developing rigorous quantum dynamics algorithms for small polyatomic systems and in implementing approximate approaches for complex ones. Particular focus is on the dynamics and kinetics of chemical reactions and on the rovibrational spectra of species involved in combustion processes. This research also explores the potential energy surfaces of these systems of interest using state-of-the-art quantum chemistry methods.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2022

Koopman Model Predictive Control for Eco-Driving of Automated Vehicles

In this paper, we develop a data-driven process for building a model predictive control (MPC) for eco-driving of automated vehicles. The process involves performing system identification in which the non-linear vehicle dynamics model is approximated by the Koopman operator, a linear predictor of higher state-dimension, in a data-driven framework. This approach allows us to formulate the eco-driving problem in a constrained quadratic program that leads to a computationally fast MPC. The MPC is then implemented as a closed-loop control of an electric vehicle in numerical simulations for demonstration.

autonomous vehicle↗

NASA NTRS1978

Simulation gravity modeling to spacecraft-tracking data - Analysis and application

It is proposed that line-of-sight gravity measurements derived from spacecraft-tracking data can be used for quantitative subsurface density modeling by suitable orbit simulation procedures. Such an approach avoids complex dynamic reductions and is analogous to the modeling of conventional surface gravity data. This procedure utilizes the vector calculations of a given gravity model in a simplified trajectory integration program that simulates the line-of-sight gravity. Solutions from an orbit simulation inversion and a dynamic inversion on Doppler observables compare well (within 1% in mass and size), and the error sources in the simulation approximation are shown to be quite small. An application of this technique is made to lunar crater gravity anomalies by simulating the complete Bouguer correction to several large young lunar craters. It is shown that the craters all have negative Bouguer anomalies.

Phillips, R. J.↗

NASA NTRS1985

Probabilistic Structural Analysis Theory Development

The objective of the Probabilistic Structural Analysis Methods (PSAM) project is to develop analysis techniques and computer programs for predicting the probabilistic response of critical structural components for current and future space propulsion systems. This technology will play a central role in establishing system performance and durability. The first year's technical activity is concentrating on probabilistic finite element formulation strategy and code development. Work is also in progress to survey critical materials and space shuttle mian engine components. The probabilistic finite element computer program NESSUS (Numerical Evaluation of Stochastic Structures Under Stress) is being developed. The final probabilistic code will have, in the general case, the capability of performing nonlinear dynamic of stochastic structures. It is the goal of the approximate methods effort to increase problem solving efficiency relative to finite element methods by using energy methods to generate trial solutions which satisfy the structural boundary conditions. These approximate methods will be less computer intensive relative to the finite element approach.

Burnside, O. H.↗

NASA NTRS1993

Control design variable linking for optimization of structural/control systems

A method is presented to integrate the design space of structural/control system optimization problems in the case of linear state feedback control. Conventional structural sizing variables and elements of the feedback gain matrix are both treated as strictly independent design variables in optimization by extending design variable linking concepts to the control gains. Several approximation concepts including new control design variable linking schemes are used to formulate the integrated structural/control optimization problem as a sequence of explicit nonlinear mathematical programming problems. Examples which involve a variety of behavior constraints, including constraints on dynamic stability, damped frequencies, control effort, peak transient displacement, acceleration, and control force limits, are effectively solved by using the method presented.

Jin, Ik Min↗

NASA NTRS1953

Performance Characteristics of Plane-Wall Two-Dimensional Diffusers

Experiments have been made at Stanford University to determine the performance characteristics of plane-wall, two-dimensional diffusers which were so proportioned as to insure reasonable approximation of two-dimensional flow. All of the diffusers had identical entrance cross sections and discharged directly into a large plenum chamber; the test program included wide variations of divergence angle and length. During all tests a dynamic pressure of 60 pounds per square foOt was maintained at the diffuser entrance and the boundary layer there was thin and fully turbulent. The most interesting flow characteristics observed were the occasional appearance of steady, unseparated, asymmetric flow - which was correlated with the boundary-layer coalescence - and the rapid deterioration of flow steadiness - which occurred as soon as the divergence angle for maximum static pressure recovery was exceeded. Pressure efficiency was found to be controlled almost exclusively by divergence angle, whereas static pressure recovery was markedly influenced by area ratio (or length) as well as divergence angle. Volumetric efficiency. diminished as area ratio increased, and at a greater rate with small lengths than with large ones. Large values of the static-pressure-recovery coefficient were attained only with long diffusers of large area ratio; under these conditions pressure efficiency was high and. volumetric efficiency low. Auxiliary tests with asymmetric diffusers demonstrated that longitudinal pressure gradient, rather than wall divergence angle, controlled flow separation. Others showed that the addition of even a short exit duct of uniform section augmented pressure recovery. Finally, it was found that the installation of a thin, central, longitudinal partition suppressed flow separation in short diffusers and thereby improved pressure recovery

Reid, Elliott G↗

NASA NTRS2006

Dynamic Crush Characterization of Ice

During the space shuttle return-to-flight preparations following the Columbia accident, finite element models were needed that could predict the threshold of critical damage to the orbiter's wing leading edge from ice debris impacts. Hence, an experimental program was initiated to provide crushing data from impacted ice for use in dynamic finite element material models. A high-speed drop tower was configured to capture force time histories of ice cylinders for impacts up to approximately 100 ft/s. At low velocity, the force-time history depended heavily on the internal crystalline structure of the ice. However, for velocities of 100 ft/s and above, the ice fractured on impact, behaved more like a fluid, and the subsequent force-time history curves were much less dependent on the internal crystalline structure.

Fasanella, Edwin L.↗

DOE OSTI2017

Learning reduced kinetic Monte Carlo models of complex chemistry from molecular dynamics

Here, we propose a novel statistical learning framework for automatically and efficiently building reduced kinetic Monte Carlo (KMC) models of large-scale elementary reaction networks from data generated by a single or few molecular dynamics simulations (MD). Existing approaches for identifying species and reactions from molecular dynamics typically use bond length and duration criteria, where bond duration is a fixed parameter motivated by an understanding of bond vibrational frequencies. Conversely, we show that for highly reactive systems, bond duration should be a model parameter that is chosen to maximize the predictive power of the resulting statistical model. We demonstrate our method on a high temperature, high pressure system of reacting liquid methane, and show that the learned KMC model is able to extrapolate more than an order of magnitude in time for key molecules. Additionally, our KMC model of elementary reactions enables us to isolate the most important set of reactions governing the behavior of key molecules found in the MD simulation. We develop a new data-driven algorithm to reduce the chemical reaction network which can be solved either as an integer program or efficiently using L1 regularization, and compare our results with simple count-based reduction. For our liquid methane system, we discover that rare reactions do not play a significant role in the system, and find that less than 7% of the approximately 2000 reactions observed from molecular dynamics are necessary to reproduce the molecular concentration over time of methane. Furthermore, we describe a framework in this work that paves the way towards a genomic approach to studying complex chemical systems, where expensive MD simulation data can be reused to contribute to an increasingly large and accurate genome of elementary reactions and rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2006

Test and Analysis Correlation of High Speed Impacts of Ice Cylinders

During the space shuttle return-to-flight preparations following the Columbia accident, finite element models were needed that could predict the threshold of critical damage to the orbiter s wing leading edge from ice debris impacts. Hence, an experimental program was initiated to provide crushing data from impacted ice for use in dynamic finite element material models. A high-speed drop tower was configured to capture force time-histories of ice cylinders for impacts up to approximately 100 ft/s. At low velocity, the force-time history depended heavily on the internal crystalline structure of the ice. However, for velocities of 100 ft/s and above, the ice fractured on impact, behaved more like a fluid, and the subsequent force-time history curves were much less dependent on the internal crystalline structure.

Fasanella, Edwin L.↗

NASA NTRS1983

The YAV-8B simulation and modeling. Volume 2: Program listing

Detailed mathematical models of varying complexity representative of the YAV-8B aircraft are defined and documented. These models are used in parameter estimation and in linear analysis computer programs while investigating YAV-8B aircraft handling qualities. Both a six degree of freedom nonlinear model and a linearized three degree of freedom longitudinal and lateral directional model were developed. The nonlinear model is based on the mathematical model used on the MCAIR YAV-8B manned flight simulator. This simulator model has undergone periodic updating based on the results of approximately 360 YAV-8B flights and 8000 hours of wind tunnel testing. Qualified YAV-8B flight test pilots have commented that the handling qualities characteristics of the simulator are quite representative of the real aircraft. These comments are validated herein by comparing data from both static and dynamic flight test maneuvers to the same obtained using the nonlinear program.

Source record↗

NASA NTRS1990

A real-time approximate optimal guidance law for flight in a plane

A real-time guidance scheme is presented for the problem of maximizing the payload into orbit subject to the equations of motion of a rocket over a nonrotating spherical earth. The flight is constrained to a path in the equatorial plane while reaching an orbital altitude at orbital injection speeds. The dynamics of the problem can be separated into primary and perturbation effects by a small parameter, epsilon, which is the ratio of the atmospheric scale height to the radius of the earth. The Hamilton-Jacobi-Bellman or dynamic programming equation is expanded in an asymptotic series where the zeroth-order term (epsilon = 0) can be obtained in closed form. The neglected perturbation terms are included in the higher-order terms of the expansion, which are determined from the solution of first-order linear partial differential equations requiring only integrations which are quadratures. The quadratures can be performed rapidly with emerging computer capability, so that real-time approximate optimization can be used to construct the launch guidance law. The application of this technique to flight in three-dimensions is made apparent from the solution presented.

Feeley, Timothy S.↗

NASA NTRS1981

PAN AIR: A computer program for predicting subsonic or supersonic linear potential flows about arbitrary configurations using a higher order panel method. Volume 1: Theory document (version 1.1)

Panel aerodynamics (PAN AIR) is a system of computer programs designed to analyze subsonic and supersonic inviscid flows about arbitrary configurations. A panel method is a program which solves a linear partial differential equation by approximating the configuration surface by a set of panels. An overview of the theory of potential flow in general and PAN AIR in particular is given along with detailed mathematical formulations. Fluid dynamics, the Navier-Stokes equation, and the theory of panel methods were also discussed.

Magnus, A. E.↗

NASA NTRS1984

STS 41-D Solar Array Flight Experiment

The Solar Array Flight Experiment (SAFE) developed under the direction of the Marshall Space Flight Center, scheduled for launch on STS 41-D, will demonstrate a lightweight solar array technology which offers a factor of 3 improvement in weight and a factor of 10 improvement in specific volume over solar array systems currently in use in the space program. The experiment, which will include multiple deployment and retraction demonstration, verification of electrical and thermal performance, and verification of structural dynamic math models is 15 feet by 105 feet in size and, if completely covered with solar cells, would produce approximately 12.5 kW of electrical power. The unit has now been developed, tested, and is at Kennedy Space Center (KSC) being prepared for launch.

Turner, G. F.↗

NASA NTRS1990

Critical evaluation of Jet-A spray combustion using propane chemical kinetics in gas turbine combustion simulated by KIVA-2

Jet-A spray combustion has been evaluated in gas turbine combustion with the use of propane chemical kinetics as the first approximation for the chemical reactions. Here, the numerical solutions are obtained by using the KIVA-2 computer code. The KIVA-2 code is the most developed of the available multidimensional combustion computer programs for application of the in-cylinder combustion dynamics of internal combustion engines. The released version of KIVA-2 assumes that 12 chemical species are present; the code uses an Arrhenius kinetic-controlled combustion model governed by a four-step global chemical reaction and six equilibrium reactions. Researchers efforts involve the addition of Jet-A thermophysical properties and the implementation of detailed reaction mechanisms for propane oxidation. Three different detailed reaction mechanism models are considered. The first model consists of 131 reactions and 45 species. This is considered as the full mechanism which is developed through the study of chemical kinetics of propane combustion in an enclosed chamber. The full mechanism is evaluated by comparing calculated ignition delay times with available shock tube data. However, these detailed reactions occupy too much computer memory and CPU time for the computation. Therefore, it only serves as a benchmark case by which to evaluate other simplified models. Two possible simplified models were tested in the existing computer code KIVA-2 for the same conditions as used with the full mechanism. One model is obtained through a sensitivity analysis using LSENS, the general kinetics and sensitivity analysis program code of D. A. Bittker and K. Radhakrishnan. This model consists of 45 chemical reactions and 27 species. The other model is based on the work published by C. K. Westbrook and F. L. Dryer.

Nguyen, H. L.↗

NASA NTRS1989

Review of a code development and calibration program in support of the aeroassist flight experiment

The code development and calibration program for the Langley Aerothermodynamic Upwind Relaxation Algorithm (LAURA) is reviewed, with emphasis directed toward support of the Aeroassist Flight Experiment (AFE). The flight project is designed to obtain data which will be used in the validation of computational fluid dynamic approximation methods. Comparisons between experimental data and numerical simulation focus on perfect-gas tests over a scale model of the AFE and on flight and ground tests which challenge some aspect of the thermochemical nonequilibrium model. In the first case, the gas model is simple, but the grid-related problems of defining the real vehicle are present. In the second case, the vehicle geometries are simple, but thermochemical processes must be modeled correctly in order to compare with the experimental data. These comparisons are described as calibration runs because they test elements of the numerical simulation, but no single data set adequately simulates the full-scale AFE flight conditions. Comparisons between computation and experiment over a broad range of data sets show generally good agreement, though some aspects of the numerical model require further development.

Gnoffo, Peter A.↗

NASA NTRS1976

Indirect synthesis of multidegree-of-freedom transient systems

The indirect synthesis method is developed and shown to be capable of leading a near-optimal design of multidegree-of-freedom and multidesign-element transient nonlinear dynamical systems. The basis of the approach is to select the open design parameters such that the response of the portion of the system being designed approximates the limiting performances solution. The limiting performance problem can be formulated as one of linear programming by replacing all portions of the system subject to transient disturbances by control forces and supposing that the remaining portions are linear as are the overall kinematic constraints. One then selects the design parameters that respond most closely to the limiting performance solution, which can be achieved by unconstrained curve-fitting techniques.

Chen, Y. H.↗

NASA NTRS1988

A feedback linearization approach to spacecraft control using momentum exchange devices

Recent developments in the area of nonlinear control theory have shown how coordiante changes in the state and input spaces can be used with nonlinear feedback to transform certain nonlinear ordinary differential equations into equivalent linear equations. These feedback linearization techniques are applied to resolve two problems arising in the control of spacecraft equipped with control moment gyroscopes (CMGs). The first application involves the computation of rate commands for the gimbals that rotate the individual gyroscopes to produce commanded torques on the spacecraft. The second application is to the long-term management of stored momentum in the system of control moment gyroscopes using environmental torques acting on the vehicle. An approach to distributing control effort among a group of redundant actuators is described that uses feedback linearization techniques to parameterize sets of controls which influence a specified subsystem in a desired way. The approach is adapted for use in spacecraft control with double-gimballed gyroscopes to produce an algorithm that avoids problematic gimbal configurations by approximating sets of gimbal rates that drive CMG rotors into desirable configurations. The momentum management problem is stated as a trajectory optimization problem with a nonlinear dynamical constraint. Feedback linearization and collocation are used to transform this problem into an unconstrainted nonlinear program. The approach to trajectory optimization is fast and robust. A number of examples are presented showing applications to the proposed NASA space station.

Dzielski, John Edward↗