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At least 235 records · Page 13

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NASA NTRS1992

Concerted hydrogen atom exchange between three HF molecules

The termolecular reaction involving concerted hydrogen-atom exchange between three HF molecules was investigated with particular attention given to the effects of correlation at the various stationary points along the reaction. Using large segmented Gaussian basis sets to locate the (HF)3 stationary points at the SCF level, the geometries of the stable hydrogen-bonded trimer, which is of C(3h) symmetry, were located, together with the transition state for hydrogen exchange, which is of D(3h) symmetry. Then, using a large atomic natural orbital basis and correlating all valence electrons, the energetics of the exchange reaction were evaluated at the correlated level.

Komornicki, Andrew↗

NASA NTRS1990

Study of a cesium plasma as a selective emitter for thermophotovoltaic applications

This experimental study evaluates the potential of a cesium plasma as an emitter for a thermophotovoltaic (TPV) energy conversion system. A cesium plasma, as a result of the ground-state transitions of its single outer-shell electron, produces large amounts of radiation in the 850-890-nm wavelength region. This would provide excellent coupling to silicon, gallium arsenide, and indium phosphide photovoltaic cells. Measurements of the radiative efficiency, the sum of the power at the 852 and 894 nm wavelengths relative to the total emitted power, were made and correlated to the plasma operating variables. It was determined that, for atomic density in the range (3-6) x 10 exp 21/cu cm and electron temperature in the range 2000-3000 K, radiative efficiencies in excess of 70 percent are attainable. This would indicate that a cesium plasma with its selective emission characteristics and low electron operating temperatures of 2000-3000 K would be an excellent candidate as an emitter in a TPV system.

Lowe, R.↗

NASA NTRS1992

Rotational relaxation measurements in ozone - Temperature and collision partner effects

Time-resolved infrared double resonance experiments have been conducted on ozone mixtures in order to determine rotational relaxation rates. A pulsed CO2 laser pumps a nu(3)-ground state transition, while a diode laser is tuned to a hot band transition so that the relaxation process in nu(3) = 1 may be observed. Nitrogen, oxygen, rare gas, and self-relaxation rates have been measured, and the temperature dependence of these rates has been investigated over the 200-300 K range.

Flannery, C. C.↗

NASA NTRS1992

CN radical reactions with hydrogen cyanide and cyanogen - Comparison of theory and experiment

The method of laser photolysis/laser-induced fluorescence is used to obtain absolute rate constants for CN radical reactions with HCN and C2N2. The rate constants were found to be temperature-dependent in the range 300-740 K and pressure independent in the range 100-600 Torr. Rice-Remsperger-Kassel-Marcus theory for both reactions employing the transition state parameters obtained by the BAC-MP4 method are made. These calculations yielded reasonable results for the CN + HCN reaction, predicting both the temperature dependence and pressure independence. No pressure effect was observed in the pressure range 100-1000 Torr at temperatures below 900 K, confirming the experimental results.

Yang, D. L.↗

NASA NTRS1992

Interconversion of diborane(4) isomers

Highly correlated electronic structure computations using many-body perturbation theory and coupled-cluster gradient techniques are used to study the reaction pathway that links the two forms (C2u and D2d) of diborane(4). The results obtained indicate that a low-energy pathway exists for interconversion of the two low-lying isomers of diborane(4). The proposed mechanism consists of a single concerted but nonsynchronous rotation of the BH2 groups. The pathway first follows an idealized reaction coordinate which preserves C2 symmetry, but then bifurcates at a branch point, leading to two equivalent transition states which lack nontrivial elements of symmetry.

Stanton, John F.↗

NASA NTRS1991

Application of enhanced modern structured analysis techniques to Space Station Freedom electric power system requirements

A team of Space Station Freedom (SSF) system engineers are in the process of extensive analysis of the SSF requirements, particularly those pertaining to the electrical power system (EPS). The objective of this analysis is the development of a comprehensive, computer-based requirements model, using an enhanced modern structured analysis methodology (EMSA). Such a model provides a detailed and consistent representation of the system's requirements. The process outlined in the EMSA methodology is unique in that it allows the graphical modeling of real-time system state transitions, as well as functional requirements and data relationships, to be implemented using modern computer-based tools. These tools permit flexible updating and continuous maintenance of the models. Initial findings resulting from the application of EMSA to the EPS have benefited the space station program by linking requirements to design, providing traceability of requirements, identifying discrepancies, and fostering an understanding of the EPS.

Biernacki, John↗

NASA NTRS1992

Concerted hydrogen atom exchange between three HF molecules

We have investigated the termolecular reaction involving concerted hydrogen exchange between three HF molecules, with particular emphasis on the effects of correlation at the various stationary points along the reaction. Using an extended basis, we have located the geometries of the stable hydrogen-bonded trimer, which is of C(sub 3h) symmetry, and the transition state for hydrogen exchange, which is of D(sub 3h) symmetry. The energies of the exchange reation were then evaluated at the correlated level, using a large atomic natural orbital basis and correlating all valence electrons. Several correlation treatments were used, namely, configration interaction with single and double excitations, coupled-pair functional, and coupled-cluster methods. We are thus able to measure the effect of accounting for size-extensivity. Zero-point corrections to the correlated level energetics were determined using analytic second derivative techniques at the SCF level. Our best calculations, which include the effects of connected triple excitations in the coupled-cluster procedure, indicate that the trimer is bound by 9 +/- 1 kcal/mol relative to three separate monomers, in excellent agreement with previous estimates. The barrier to concerted hydrogen exchange is 15 kcal/mol above the trimer, or only 4.7 kcal/mol above three separated monomers. Thus the barrier to hydrogen exchange between HF molecules via this termolecular process is very low.

Komornicki, Andrew↗

NASA NTRS1993

Adaptive laser link reconfiguration using constraint propagation

This paper describes Harris AI research performed on the Adaptive Link Reconfiguration (ALR) study for Rome Lab, and focuses on the application of constraint propagation to the problem of link reconfiguration for the proposed space based Strategic Defense System (SDS) Brilliant Pebbles (BP) communications system. According to the concept of operations at the time of the study, laser communications will exist between BP's and to ground entry points. Long-term links typical of RF transmission will not exist. This study addressed an initial implementation of BP's based on the Global Protection Against Limited Strikes (GPALS) SDI mission. The number of satellites and rings studied was representative of this problem. An orbital dynamics program was used to generate line-of-site data for the modeled architecture. This was input into a discrete event simulation implemented in the Harris developed COnstraint Propagation Expert System (COPES) Shell, developed initially on the Rome Lab BM/C3 study. Using a model of the network and several heuristics, the COPES shell was used to develop the Heuristic Adaptive Link Ordering (HALO) Algorithm to rank and order potential laser links according to probability of communication. A reduced set of links based on this ranking would then be used by a routing algorithm to select the next hop. This paper includes an overview of Constraint Propagation as an Artificial Intelligence technique and its embodiment in the COPES shell. It describes the design and implementation of both the simulation of the GPALS BP network and the HALO algorithm in COPES. This is described using a 59 Data Flow Diagram, State Transition Diagrams, and Structured English PDL. It describes a laser communications model and the heuristics involved in rank-ordering the potential communication links. The generation of simulation data is described along with its interface via COPES to the Harris developed View Net graphical tool for visual analysis of communications networks. Conclusions are presented, including a graphical analysis of results depicting the ordered set of links versus the set of all possible links based on the computed Bit Error Rate (BER). Finally, future research is discussed which includes enhancements to the HALO algorithm, network simulation, and the addition of an intelligent routing algorithm for BP.

Crone, M. S.↗

NASA NTRS1992

Non-scalar uncertainty: Uncertainty in dynamic systems

The following point is stated throughout the paper: dynamic systems are usually subject to uncertainty, be it the unavoidable quantic uncertainty when working with sufficiently small scales or when working in large scales uncertainty can be allowed by the researcher in order to simplify the problem, or it can be introduced by nonlinear interactions. Even though non-quantic uncertainty can generally be dealt with by using the ordinary probability formalisms, it can also be studied with the proposed non-scalar formalism. Thus, non-scalar uncertainty is a more general theoretical framework giving insight into the nature of uncertainty and providing a practical tool in those cases in which scalar uncertainty is not enough, such as when studying highly nonlinear dynamic systems. This paper's specific contribution is the general concept of non-scalar uncertainty and a first proposal for a methodology. Applications should be based upon this methodology. The advantage of this approach is to provide simpler mathematical models for prediction of the system states. Present conventional tools for dealing with uncertainty prove insufficient for an effective description of some dynamic systems. The main limitations are overcome abandoning ordinary scalar algebra in the real interval (0, 1) in favor of a tensor field with a much richer structure and generality. This approach gives insight into the interpretation of Quantum Mechanics and will have its most profound consequences in the fields of elementary particle physics and nonlinear dynamic systems. Concepts like 'interfering alternatives' and 'discrete states' have an elegant explanation in this framework in terms of properties of dynamic systems such as strange attractors and chaos. The tensor formalism proves especially useful to describe the mechanics of representing dynamic systems with models that are closer to reality and have relatively much simpler solutions. It was found to be wise to get an approximate solution to an accurate model than to get a precise solution to a model constrained by simplifying assumptions. Precision has a very heavy cost in present physical models, but this formalism allows the trade between uncertainty and simplicity. It was found that modeling reality sometimes requires that state transition probabilities should be manipulated as nonscalar quantities, finding at the end that there is always a transformation to get back to scalar probability.

Martinez, Salvador Gutierrez↗

NASA NTRS1993

DESSY: Making a real-time expert system robust and useful

As the complexity and expected life-span of modern space systems continue to increase, the need for real-time data monitoring and failure analysis becomes more critical to their successful operation. The DEcision Support SYstem (DESSY) is a joint effort by the Intelligent Systems Branch/ER2 and the Remote Manipulator System (RMS) Section/DF44 to develop an expert system for the monitoring of the Payload Deployment and Retrieval System (PDRS). DESSY users, the RMS flight controllers, are provided with user interface enhancements and automated monitoring of system state (physical orientation) and status (operational health). Currently, a DESSY prototype for the Manipulator Positioning Mechanism (MPM) and Manipulator Retention Latches (MRL) of the PDRS has been developed and successfully demonstrated during the STS-49 and STS-46 missions. Expert systems for monitoring real-time operations must not only accurately represent domain knowledge, but also address the challenges of using unfiltered real-time data as input. This paper describes the methods and design strategies developed to overcome problems with real-time data in the NASA Mission Control Center. Types of data problems addressed are as follows: (1) loss of data; (2) erratic data; and (3) data lags and irregularities during state transition. Methods used to handle data problems include rule disabling for ignoring data when data quality is uncertain, context-sensitive bounded pattern recognition for minimizing incorrect conclusions based on bad data, and graceful recovery through system correction when reliable data returns. This combination of methods with an object-based modular DESSY design assures a robust program capable of lengthy periods of uninterrupted use in operations.

Land, Sherry A.↗

NASA NTRS1993

Isomerization reaction dynamics and equilibrium at the liquid-vapor interface of water. A molecular-dynamics study

The gauche-trans isomerization reaction of 1,2-dichloroethane at the liquid-vapor interface of water is studied using molecular-dynamics computer simulations. The solvent bulk and surface effects on the torsional potential of mean force and on barrier recrossing dynamics are computed. The isomerization reaction involves a large change in the electric dipole moment, and as a result the trans/gauche ratio is considerably affected by the transition from the bulk solvent to the surface. Reactive flux correlation function calculations of the reaction rate reveal that deviation from the transition-state theory due to barrier recrossing is greater at the surface than in the bulk water. This suggests that the system exhibits non-Rice-Ramsperger-Kassel-Marcus behavior due to the weak solvent-solute coupling at the water liquid-vapor interface.

Benjamin, Ilan↗

NASA NTRS1992

Initial value and two point boundary value solutions to the Clohessy-Wiltshire equations

The nonhomogeneous Clohessy-Wiltshire (C-W) equations are formulated and solved as an initial value problem in the form structure of linear systems theory. The state transition matrix (STM) and its inverse are obtained explicitly in both Newtonian and Hamiltonian form. It is shown that the STM for the C-2 equations possesses a special property making its inverse easily obtainable. Since solutions to the C-W equations are needed in two-point boundary value form to construct a good mission design tool for orbit transfer, the Lambert problem is solved in the context of the C-W equations.

Mullins, Larry D.↗

NASA NTRS1994

Motion models in attitude estimation

Attitude estimator use observations from different times to reduce the effects of noise. If the vehicle is rotating, the attitude at one time needs to be propagated to that at another time. If the vehicle measures its angular velocity, attitude propagating entails integrating a rotational kinematics equation only. If a measured angular velocity is not available, torques can be computed and an additional rotational dynamics equation integrated to give the angular velocity. Initial conditions for either of these integrations come from the estimation process. Sometimes additional quantities, such as gyro and torque parameters, are also solved for. Although the partial derivatives of attitude with respect to initial attitude and gyro parameters are well known, the corresponding partial derivatives with respect to initial angular velocity and torque parameters are less familiar. They can be derived and computed numerically in a way that is analogous to that used for the initial attitude and gyro parameters. Previous papers have demonstrated the feasibility of using dynamics models for attitude estimation but have not provided details of how each angular velocity and torque parameters can be estimated. This tutorial paper provides some of that detail, notably how to compute the state transition matrix when closed form expressions are not available. It also attempts to put dynamics estimation in perspective by showing the progression from constant to gyro-propagated to dynamics-propagated attitude motion models. Readers not already familiar with attitude estimation will find this paper an introduction to the subject, and attitude specialists may appreciate the collection of heretofore scattered results brought together in a single place.

Chu, D.↗

NASA NTRS1993

Ducted fan acoustic radiation including the effects of nonuniform mean flow and acoustic treatment

Forward and aft acoustic propagation and radiation from a ducted fan is modeled using a finite element discretization of the acoustic field equations. The fan noise source is introduced as equivalent body forces representing distributed blade loading. The flow in and around the nacelle is assumed to be nonuniform, reflecting the effects of forward flight and flow into the inlet. Refraction due to the fan exit jet shear layer is not represented. Acoustic treatment on the inlet and exhaust duct surfaces provides a mechanism for attenuation. In a region enclosing the fan a pressure formulation is used with the assumption of locally uniform flow. Away from the fan a velocity potential formulation is used and the flow is assumed nonuniform but irrotational. A procedure is developed for matching the two regions by making use of local duct modal amplitudes as transition state variables and determining the amplitudes by enforcing natural boundary conditions at the interface between adjacent regions in which pressure and velocity potential are used. Simple models of rotor alone and rotor/exit guide vane generated noise are used to demonstrate the calculation of the radiated acoustic field and to show the effect of acoustic treatment. The model has been used to assess the success of four techniques for acoustic lining optimization in reducing far field noise.

Eversman, Walter↗

NASA NTRS1995

Making intelligent systems team players. A guide to developing intelligent monitoring systems

This reference guide for developers of intelligent monitoring systems is based on lessons learned by developers of the DEcision Support SYstem (DESSY), an expert system that monitors Space Shuttle telemetry data in real time. DESSY makes inferences about commands, state transitions, and simple failures. It performs failure detection rather than in-depth failure diagnostics. A listing of rules from DESSY and cue cards from DESSY subsystems are included to give the development community a better understanding of the selected model system. The G-2 programming tool used in developing DESSY provides an object-oriented, rule-based environment, but many of the principles in use here can be applied to any type of monitoring intelligent system. The step-by-step instructions and examples given for each stage of development are in G-2, but can be used with other development tools. This guide first defines the authors' concept of real-time monitoring systems, then tells prospective developers how to determine system requirements, how to build the system through a combined design/development process, and how to solve problems involved in working with real-time data. It explains the relationships among operational prototyping, software evolution, and the user interface. It also explains methods of testing, verification, and validation. It includes suggestions for preparing reference documentation and training users.

Land, Sherry A.↗

NASA NTRS1993

The Cassini spacecraft: Object oriented flight control software

The Cassini Attitude and Articulation Control Subsystem (AACS) is responsible for determining and controlling the spacecraft attitude including instrument pointing, antenna pointing, and thrust vector pointing during velocity change maneuvers. The 12 year mission life, long round-trip light time, and extended periods of coast without continuous ground control drive the AACS flight software design in the directions of autonomy, fault tolerance, and modularity to accommodate planned upgrades in flight. The Cassini AACS Flight Software is depicted in increasing levels of detail using a Context Diagram, Architecture Diagrams (i.e., Dependency Diagrams), an Object Diagram for each object, and a Statechart (i.e., State Transition Diagram) for each object. The detail contained in the diagrams is enhanced and refined during the Requirements and Design Phases of both Subsystem and Software Development. Examples of all the diagrams as well as the criteria for object selection, the advantages of statecharts, and the ease of modifying the design to accommodate changes in scope are described.

Hackney, John C.↗

NASA NTRS1995

Verification and validation of a reliable multicast protocol

This paper describes the methods used to specify and implement a complex communications protocol that provides reliable delivery of data in multicast-capable, packet-switching telecommunication networks. The protocol, called the Reliable Multicasting Protocol (RMP), was developed incrementally by two complementary teams using a combination of formal and informal techniques in an attempt to ensure the correctness of the protocol implementation. The first team, called the Design team, initially specified protocol requirements using a variant of SCR requirements tables and implemented a prototype solution. The second team, called the V&V team, developed a state model based on the requirements tables and derived test cases from these tables to exercise the implementation. In a series of iterative steps, the Design team added new functionality to the implementation while the V&V team kept the state model in fidelity with the implementation through testing. Test cases derived from state transition paths in the formal model formed the dialogue between teams during development and served as the vehicles for keeping the model and implementation in fidelity with each other. This paper describes our experiences in developing our process model, details of our approach, and some example problems found during the development of RMP.

Callahan, John R.↗

NASA NTRS1994

Toward fidelity between specification and implementation

Callahan, John R.↗