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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 19 records

A new method for the calculation of photodissociation cross sections

A time-independent quantum mechanical approach to the calculation of photodissociation cross sections is developed. The method is based on the use of a discrete variable representation and the application of absorbing boundary conditions. Both total photodissociation cross sections and partial cross sections (hence product state distributions) are obtained using the same basic technique, but the calculation is particularly efficient when only the former quantity is required. The method is applied to the photodissociation of HCl(+) for which accurate potential energy curves and dipole moment functions are available, to the photodissociation of ClCN which is a direct process, involving a single excited electrosonic state, and to the photodissociation of ICN, which involves several strongly coupled excited electronic states.

Seideman, Tamar↗

State variable representations in digital control systems with MA-prefiltered measurements

This paper derives three discrete state variable representations for a continuous-time plant driven by a zero-order hold with a combination of instantaneous measurements and measurements prefiltered by a multiinput/multioutput moving average (MA) process. These representations allow the control system engineer to model plants of this type accurately in a form which permits him to use standard techniques to design digital feedback controllers for them. An example is presented which illustrates how to obtain the coefficient matrices in each representation. Guidelines are presented for choosing the best representation to use for any given plant of this type.

Polites, Michael E.↗

Multigrid one shot methods for optimal control problems: Infinite dimensional control

The multigrid one shot method for optimal control problems, governed by elliptic systems, is introduced for the infinite dimensional control space. ln this case, the control variable is a function whose discrete representation involves_an increasing number of variables with grid refinement. The minimization algorithm uses Lagrange multipliers to calculate sensitivity gradients. A preconditioned gradient descent algorithm is accelerated by a set of coarse grids. It optimizes for different scales in the representation of the control variable on different discretization levels. An analysis which reduces the problem to the boundary is introduced. It is used to approximate the two level asymptotic convergence rate, to determine the amplitude of the minimization steps, and the choice of a high pass filter to be used when necessary. The effectiveness of the method is demonstrated on a series of test problems. The new method enables the solutions of optimal control problems at the same cost of solving the corresponding analysis problems just a few times.

Arian, Eyal↗

Modeling digital control systems with MA-prefiltered measurements

Three discrete state variable representations are derived for a continuous-time plant driven by a zero-order-hold with a combination of instantaneous measurements and measurements prefiltered by moving-average (MA) digital filters. These representations allow the control system engineer to accurately model plants of this type in a form which permits him to use standard techniques to design digital feedback controllers for them. An example is presented which illustrates how to obtain the coefficient matrices in each representation. Guidelines are presented for choosing the best representation to use for any given point.

Polites, Michael E.↗

Modeling Plants With Moving-Average Outputs

Three discrete-state-variable representations derived. Paper discusses mathematical modeling of digital control systems for plants in which outputs include combinations of instantaneous and moving-average-prefiltered measurements.

Polites, Michael E.↗

A New Global Potential Energy Surface for the Hydroperoxyl Radical, HO2: Reaction Coefficients for H + O2 and Vibrational Splittings for H Atom Transfer

A new analytic global potential energy surface describing the hydroperoxyl radical system H((sup 2)S) + O2(X (sup 3)Sigma((sup -)(sub g))) (reversible reaction) HO2 ((X-tilde) (sup 2)A'') (reversible reaction) O((sup 3)P) + O H (X (sup 2)Pi) has been fitted using the ab initio complete active space SCF (self-consistent-field)/externally contracted configuration interaction (CASSCF/CCI) energy calculations of Walch and Duchovic. Results of quasiclassical trajectory studies to determine the rate coefficients of the forward and reverse reactions at combustion temperatures will be presented. In addition, vibrational energy levels were calculated using the quantum DVR-DGB (discrete variable representation-distributed Gaussian basis) method and the splitting due to H atom migration is investigated. The material of the proposed presentation was reviewed and the technical content will not reveal any information not already in the public domain and will not give any foreign industry or government a competitive advantage.

Dateo, Christopher E.↗

Discrete time domain modelling and analysis of dc-dc converters with continuous and discontinuous inductor current

Using discrete time state variable representation, a generalized computer-aided modeling and analysis of dc-dc converters is presented. The methodology provides exact modeling and is applicable to all types of power stages and duty-cycle control, including continuous and discontinuous inductor current operation. Converter stability, transient behavior and audio susceptibility can be analytically evaluated and predicted. The generalized theory of the proposed approach to converter modeling and analysis is presented first, followed by a demonstrative example applying the theory to a constant frequency buck converter operating in continuous and discontinuous inductor current mode. Excellent agreement with laboratory test data has been observed.

Iwens, R. P.↗

Further Development of a New, Flux-Conserving Newton Scheme for the Navier-Stokes Equations

This paper is one of a series of papers describing the development of a new numerical approach for solving the steady Navier-Stokes equations. The key features in the current development are (1) the discrete representation of the dependent variables by way of high order polynomial expansions, (2) the retention of all derivatives in the expansions as unknowns to be explicitly solved for, (3) the automatic balancing of fluxes at cell interfaces, and (4) the discrete simulation of both the integral and differential forms of the governing equations. The main purpose of this paper is, first, to provide a systematic and rigorous derivation of the conditions that are used to simulate the differential form of the Navier-Stokes equations, and second, to extend our previously-presented internal flow scheme to external flows and nonuniform grids. Numerical results are presented for high Reynolds number flow (Re = 100,000) around a finite flat plate, and detailed comparisons are made with the Blasius flat plate solution and Goldstein wake solution. It is shown that the error in the streamwise velocity decreases like r(sup alpha)(Delta)y(exp 2), where alpha approx. 0.25 and r = delta(y)/delta(x) is the grid aspect ratio.

Scott, James R.↗

Necessary conditions for optimization in multiparameter discrete systems

A general first-order dynamic representation for discrete systems with several independent variables is proposed, based on the Dieudonne-Rashevsky form for partial differential equations. This representation does not restrict consideration to causal systems. A minimum principle for such systems is proved, thus extending results known for discrete-time systems to the case of several independent variables. The proof requires only the classical implicit function theorem.

Hegg, D. R.↗

Time domain modelling and stability analysis of an integral pulse frequency modulated dc to dc power converter

Using state variable representation a nonlinear, discrete-time system is derived that models the converter exactly. This system is linearized about its steady state solution, and converter stability, transient response and audio susceptibility are studied. The steady state solution of the converter is stable if and only if all the roots of the linearized system are absolutely less than unity. Excellent agreement with laboratory test data has been observed.

Iwens, R. P.↗

System Identification and POD Method Applied to Unsteady Aerodynamics

The representation of unsteady aerodynamic flow fields in terms of global aerodynamic modes has proven to be a useful method for reducing the size of the aerodynamic model over those representations that use local variables at discrete grid points in the flow field. Eigenmodes and Proper Orthogonal Decomposition (POD) modes have been used for this purpose with good effect. This suggests that system identification models may also be used to represent the aerodynamic flow field. Implicit in the use of a systems identification technique is the notion that a relative small state space model can be useful in describing a dynamical system. The POD model is first used to show that indeed a reduced order model can be obtained from a much larger numerical aerodynamical model (the vortex lattice method is used for illustrative purposes) and the results from the POD and the system identification methods are then compared. For the example considered, the two methods are shown to give comparable results in terms of accuracy and reduced model size. The advantages and limitations of each approach are briefly discussed. Both appear promising and complementary in their characteristics.

Tang, Deman↗

Shape design sensitivities using fully automatic 3-D mesh generation

Previous work in three dimensional shape optimization involved specifying design variables by associating parameters directly with mesh points. More recent work has shown the use of fully-automatic mesh generation based upon a parameterized geometric representation. Design variables have been associated with a mathematical model of the part rather than the discretized representation. The mesh generation procedure uses a nonuniform grid intersection technique to place nodal points directly on the surface geometry. Although there exists an associativity between the mesh and the geometrical/topological entities, there is no mathematical functional relationship. This poses a problem during certain steps in the optimization process in which geometry modification is required. For the large geometrical changes which occur at the beginning of each optimization step, a completely new mesh is created. However, for gradient calculations many small changes must be made and it would be too costly to regenerate the mesh for each design variable perturbation. For that reason, a local remeshing procedure has been implemented which operates only on the specific edges and faces associated with the design variable being perturbed. Two realistic design problems are presented which show the efficiency of this process and test the accuracy of the gradient computations.

Botkin, M. E.↗

Design of non-interacting multivariable discrete time systems

The theory of decoupling a multivariable system with the help of state variable feedback is applied to discrete time systems. The system differential equations in the continuous time domain are converted to a discrete time representation. A discrete time controller is designed to control the overall input to the system such that a specified desired decoupled output response is obtained. The decoupled system behaves as a set of single-input, single-output systems and state variable techniques can be easily applied to control each output individually. Control is achieved by periodically sampling the inputs and all the states and feeding them back through a controller. For linear time invariant systems the control is time invariant. The basic theory of decoupling involves feeding back all the states twice, first to decouple the system and then to achieve a desired response. The states of the system are computed with the help of a state estimator which calculates all the present states of the system so that on-line control can be applied to real time systems. The theory is applied to a model of a nuclear rocket engine.

Agrawal, B. L.↗

The Relation of Finite Element and Finite Difference Methods

Finite element and finite difference methods are examined in order to bring out their relationship. It is shown that both methods use two types of discrete representations of continuous functions. They differ in that finite difference methods emphasize the discretization of independent variable, while finite element methods emphasize the discretization of dependent variable (referred to as functional approximations). An important point is that finite element methods use global piecewise functional approximations, while finite difference methods normally use local functional approximations. A general conclusion is that finite element methods are best designed to handle complex boundaries, while finite difference methods are superior for complex equations. It is also shown that finite volume difference methods possess many of the advantages attributed to finite element methods.

Vinokur, M.↗

Discrete approximations to optimal trajectories using direct transcription and nonlinear programming

A recently developed method for solving optimal trajectory problems uses a piecewise-polynomial representation of the state and control variables, enforces the equations of motion via a collocation procedure, and thus approximates the original calculus-of-variations problem with a nonlinear-programming problem, which is solved numerically. This paper identifies this method as a direct transcription method and proceeds to investigate the relationship between the original optimal-control problem and the nonlinear-programming problem. The discretized adjoint equation of the collocation method is found to have deficient accuracy, and an alternate scheme which discretizes the equations of motion using an explicit Runge-Kutta parallel-shooting approach is developed. Both methods are applied to finite-thrust spacecraft trajectory problems, including a low-thrust escape spiral, a three-burn rendezvous, and a low-thrust transfer to the moon.

Enright, Paul J.↗

The discrete correlation function - A new method for analyzing unevenly sampled variability data

A method for measuring correlation functions without interpolating in the temporal domain is proposed which provides an assumption-free representation of the correlation measured in the data and allows meaningful error estimates. Physical interpretation of the cross-correlation function of two series believed to be related by a convolution is shown to require knowledge of the input function's fluctuation power spectrum. Application of the method to two systems reveals no correlation for the optical data of Akn 120, but a strong correlation for the UV data of NGC 4151, placing bounds of between 1.2 and 20 light days on the size of the line-emitting region.

Edelson, R. A.↗

The discrete correlation function: A new method for analyzing unevenly sampled variability data

A method of measuring correlation functions without interpolating in the temporal domain, the discrete correlation function, is introduced. It provides an assumption-free representation of the correlation measured in the data, and allows meaningful error estimates. This method does not produce spurious correlations at zero lag due to correlated errors. It is shown that physical interpretation of active galactic nuclei cross-correlation functions requires knowledge of the input function's fluctuation power spectrum, involves model-dependence in the form of symmetry assumptions, and must take into account intrinsic scale bias. This technique was used to find a correlation in published IUE data for NGC 4151, which indicates that the broad C IV feature emanates from a shell 15 to 75 light-days in radius, assuming spherical symmetry.

Edelson, R. A.↗

Ideal State Reconstructor For Control System

Ideal state reconstructor is conceptual subsystem of deterministic digital control system estimating state of controlled plant periodically at discrete sampling intervals of duration T. Does not add new states, eigenvalues, or dynamics. Based on concepts described in "State-Variable Representations For Moving-Average Sampling" (MFS-28405).

Polites, Michael E.↗