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DOE OSTI2025

Elucidation of Marcus Relationships for Hydride Transfer Reactions Involving Transition Metal Hydrides

The rate of hydride transfer from three Ir hydride complexes of the type Cp*Ir( R bpy)H + (Cp* = C 5 Me 5 ; R bpy = 4,4′-R-2,2′-bipyridine, R = OMe, H, CO 2 Me) to six N-methylacridinium ( R Acr + ) acceptors with electronically different substituents in the 2- or 2,7-positions were measured. Using the thermodynamic hydricity of the donors and the hydride affinity of the acceptors the thermodynamic driving forces for hydride transfer were determined. Brønsted plots, which correlate kinetic and thermodynamic hydricity, demonstrate distinct linear free energy relationships for each complex, with different Brønsted α values. Thus, at the same driving force hydride transfer from Cp*Ir( OMe bpy)H + is faster than for Cp*Ir(bpy)H + or Cp*Ir( CO2Me bpy)H + . Experimental and computational analyses are consistent with a concerted hydride transfer mechanism for all Ir complexes. As the thermodynamic driving force increases an earlier transition state is observed and all transition states also include π-stacking interactions between the donor and acceptor, which likely contribute to the different α values. The experimental data fits well to the Marcus model, enabling the determination of reorganization energies (λ) that range from 58 to 69 kcal mol -1 . These are lower than λ values for hydride transfer reactions involving organic donors and acceptors. This work provides a rare example of the correlation of kinetic and thermodynamic hydricity using only experimental data and shows that hydride transfer reactions involving metal hydrides can follow Marcus theory. Furthermore, the findings offer insight into controlling metal-catalyzed hydride transfer reactions, which is valuable for designing improved systems for a range of transformations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1974

Research study on stabilization and control: Modern sampled-data control theory. Continuous and discrete describing function analysis of the LST system

The dynamics of the Large Space Telescope (LST) control system were studied in order to arrive at a simplified model for computer simulation without loss of accuracy. The frictional nonlinearity of the Control Moment Gyroscope (CMG) Control Loop was analyzed in a model to obtain data for the following: (1) a continuous describing function for the gimbal friction nonlinearity; (2) a describing function of the CMG nonlinearity using an analytical torque equation; and (3) the discrete describing function and function plots for CMG functional linearity. Preliminary computer simulations are shown for the simplified LST system, first without, and then with analytical torque expressions. Transfer functions of the sampled-data LST system are also described. A final computer simulation is presented which uses elements of the simplified sampled-data LST system with analytical CMG frictional torque expressions.

Kuo, B. C.↗

NASA NTRS1989

Stability boundaries for aircraft with unstable lateral-directional dynamics and control saturation

Aircraft that do not possess inherent (aerodynamic) stability must rely on closed-loop control systems for stable operation. Because there are limits on the deflections of an aircraft's control surfaces, the region of stable operation also is bounded. These boundaries are investigated for a lateral-directional example in which vertical fin size is inadequate to provide directional stability and where aileron and rudder deflections are subject to saturation. Fourth-order models are used in this study, with flight control logic based on minimum-control-energy linear-quadratic-regulatory theory. It is found that the stability boundaries can be described by unstable limit cycles surrounding stable equilibrium points. Variations in regions of stability with gain levels and command inputs are illustrated. Current results suggest guidelines for permissible limits on the open-loop instability of an aircraft's lateral-directional modes.

Shrivastava, Prakash C.↗

NASA NTRS1988

The dynamics and control of large flexible space structures, part 11

A mathematical model is developed to predict the dynamics of the proposed Spacecraft Control Laboratory Experiment during the stationkeeping phase. The Shuttle and reflector are assumed to be rigid, while the mass connecting the Shuttle to the reflector is assumed to be flexible with elastic deformations small as compared with its length. It is seen that in the presence of gravity-gradient torques, the system assumes a new equilibrium position primarily due to the offset in the mass attachment point to the reflector from the reflector's mass center. Control is assumed to be provided through the Shuttle's three torquers and throught six actuators located by painrs at two points on the mass and at the reflector mass center. Numerical results confirm the robustness of an LQR derived control strategy during stationkeeping with maximum control efforts significantly below saturation levels. The linear regulator theory is also used to derive control laws for the linearized model of the rigidized SCOLE configuration where the mast flexibility is not included. It is seen that this same type of control strategy can be applied for the rapid single axis slewing of the SCOLE through amplitudes as large as 20 degrees. These results provide a definite trade-off between the slightly larger slewing times with the considerable reduction in over-all control effort as compared with the results of the two point boundary value problem application of Pontryagin's Maximum Principle.

Bainum, Peter M.↗

NASA NTRS1991

Aerospace plane guidance using time-scale decomposition - A geometric approach

A method is proposed for developing the necessary guidance logic to steer single-stage vehicles into orbit. The minimum-fuel ascent problem is first considered to analyze the effects of dynamic pressure, acceleration, and heating constraints on guidance systems to thereby develop the guidance logic. The optimal solution consists of behavior with two time scales, and the control law is used to develop near-optimal guidance. The solution uses the slow manifold to delineate the control for minimum-fuel reduced-order trajectory and a separate control for tracking the optimal reduced-order trajectory. A family of fast manifolds is then employed to resolve the tracking problem via the feedback linearization methodology from nonlinear geometric control theory. The two-time-scale decomposition is found to produce a near-optimal ascent by tracking the applicable state-constraint boundary, as well as to simplify the control-design task.

Van Buren, Mark A.↗

DOE OSTI2025

Multi-scale, Multi-disciplinary, and Multi-agent Explainable AI with Koopman-Undergirded Learning, Prediction, and Analysis (M3EA KULPA) (Project Closeout Report)

The goal of this project was to develop and use domain-aware machine learning formulations, based on the Koopman Operator (KO), for modelling multi-scale, multi-disciplinary (e.g., multi-physics), and/or multi-agent systems. The project developed these formulations for the following cases: • Systems with dynamics at two separate time scales, • Systems with a bi-level hierarchical control structure, • Systems with bi-level hierarchical control and dynamics at two separate time scales (the lower level controls operating at the faster time scale), and • Systems with n separate but interacting agents/disciplines (with/without control, respectively); the controls for each agent could include bi-level hierarchical control and dynamics at two separate time scales as described above. The project then defined a set of dynamical systems consisting of different nonlinear oscillators that could be used to test these different formulations and then subsequently learned the KO models for those systems. With the KO models, we were able to do the following: • Quantify system stability, including both long-term and transient behavior, • Quantify the effects of feedbacks between the different time scales and agents/disciplines in terms of those feedbacks’ effects on system stability, • Replace a standard Proportional-Integral (PI) control in the hierarchical control structure with a KO-based Linear-Quadratic Regular (LQR), a form of optimal control, • Calculate optimal supervisory control policies a) with and without time scale separated dynamics at the lower level control levels and b) with both PI and KO-based LQR lower level control policies, and • Calculate dynamic Nash equilibria for multi-agent systems where each agent makes its own control decisions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

A Bayesian Approach to Regional Decadal Predictability: Sparse Parameter Estimation in High-Dimensional Linear Inverse Models of High-Latitude Sea Surface Temperature Variability

Stochastic reduced models are an important tool in climate systems whose many spatial and temporal scales cannot be fully discretized or underlying physics may not be fully accounted for. One form of reduced model, the linear inverse model (LIM), has been widely used for regional climate predictability studies—typically focusing more on tropical or midlatitude studies. However, most LIM fitting techniques rely on point estimation techniques deriving from fluctuation–dissipation theory. In this methodological study we explore the use of Bayesian inference techniques for LIM parameter estimation of sea surface temperature (SST), to quantify the skillful decadal predictability of Bayesian LIM models at high latitudes. We show that Bayesian methods, when compared to traditional point estimation methods for LIM-type models, provide better calibrated probabilistic skill, while simultaneously providing better point estimates due to the regularization effect of the prior distribution in high-dimensional problems. We compare the effect of several priors, as well as maximum likelihood estimates, on 1) estimating parameter values on a perfect model experiment and 2) producing calibrated 1-yr SST anomaly forecast distributions using a preindustrial control run of the Community Earth System Model (CESM). Finally, we employ a host of probabilistic skill metrics to determine the extent to which an LIM can forecast SST anomalies at high latitudes. We find that the choice of prior distribution has an appreciable impact on estimation outcomes, and priors that emphasize physically relevant properties enhance the model’s ability to capture variability of SST anomalies.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Control-Theory-Informed Feature Selection for Detecting Malicious Tampering in Additive Layer Manufacturing Processes

Additive layer manufacturing (ALM) is rapidly becoming an appealing solution to the low-volume manufacturing of metal, polymer, or composite parts. However, ALM’s reliance on digital part specifications, microcontrollers, and modern networking makes these devices vulnerable to malicious tampering by cyber attackers, which can negatively affect part performance and even result in catastrophic failure. We present a hybrid analytic approach to feature discovery using control theoretic techniques and linear modelling on input-output data collected from a representative controller system. Employing this approach, we design, train, and test an anomaly detection system. The preliminary results show that the proposed approach effectively discovers useful input-output relationships for anomaly detection in a simulated ALM process. Application to larger and more complex systems are discussed.

Dawson, Joel↗

NASA NTRS1997

LQR Control of Shell Vibrations Via Piezoceramic Actuators

A model-based Linear Quadratic Regulator (LQR) method for controlling vibrations in cylindrical shells is presented. Surface-mounted piezo-ceramic patches are employed as actuators which leads to unbounded control input operators. Modified Donnell-Mushtari shell equations incorporating strong or Kelvin-Voigt damping are used to model the system. The model is then abstractly formulated in terms of sesquilinear forms. This provides a framework amenable for proving model well-posedness and convergence of LQR gains using analytic semigroup results combined with LQR theory for unbounded input operators. Finally, numerical examples demonstrating the effectiveness of the method are presented.

delRosario, R. C. H.↗

NASA NTRS1997

On-Line Modal State Monitoring of Slowly Time-Varying Structures

Monitoring the dynamic response of structures is often performed for a variety of reasons. These reasons include condition-based maintenance, health monitoring, performance improvements, and control. In many cases the data analysis that is performed is part of a repetitive decision-making process, and in these cases the development of effective on-line monitoring schemes help to speed the decision-making process and reduce the risk of erroneous decisions. This report investigates the use of spatial modal filters for tracking the dynamics of slowly time-varying linear structures. The report includes an overview of modal filter theory followed by an overview of several structural system identification methods. Included in this discussion and comparison are H-infinity, eigensystem realization, and several time-domain least squares approaches. Finally, a two-stage adaptive on-line monitoring scheme is developed and evaluated.

Johnson, Erik A.↗

NASA NTRSDate not supplied

Probability Bounds Analysis Applied to Multi-Purpose Crew Vehicle Nonlinearity

The Multi-Purpose Crew Vehicle (MPCV) Program Orion vehicle finite element model (FEM) was updated based on a modal test performed by Lockheed Martin. Due to nonlinearity observed in the test results, linear low force level (LL) and high force level (HL) FEMs were developed for use during various Space Launch System (SLS) flight regimes depending on expected forcing levels. Uncertainty models were derived for the combined MPCV and MPCV Stage Adaptor LL and HL Hurty/Craig-Bampton (HCB) components based on the MPCV structural test article Configuration 4 modal test-analysis correlation results. Subsequently, system-level uncertainty quantification analyses were performed using both models for various SLS flight configurations to determine the impact of the nonlinearity on important system metrics. The system metrics included both transfer functions associated with attitude control and dynamic loads associated with aerodynamic buffeting during ascent. In each case, an independent Monte Carlo (MC) analysis was performed, and no attempt was made to combine the results. The Hybrid Parametric Variation (HPV) method was used to develop the LL and HL MPCV HCB uncertainty models. The HPV method provides both parametric and non-parametric components of uncertainty. The non-parametric uncertainty accounts for the difference in model-form between the linearized analytical model and the corresponding linearized component test results in the form of mode shapes and frequencies at that force level. This linear model-form uncertainty is implemented in the HPV method using random matrix theory. However, the HPV uncertainty models developed for the linear LL and HL MPCV components do not account for the nonlinearity in the MPCV. With respect to the linearized models, this nonlinearity is also an uncertainty in model form, but in this case, it must be treated independently as an epistemic uncertainty. It represents a lack of knowledge, in contrast to an aleatory uncertainty due to the randomness of a variable. In the case of an epistemic variable, the true value is unknown, only the interval within which it lies is known. Epistemic uncertainty can be reduced with increased knowledge, while in general, aleatory uncertainty cannot. This work combines the epistemic uncertainty due to the MPCV nonlinearity with the parametric and non-parametric uncertainty within the HPV method using a second order propagation approach. The LL and HL test data is augmented with surrogate test data derived from a nonlinear MPCV representation. The impact of the MPCV nonlinearity on system response statistics is determined using a series of cumulative distribution functions in the form of a horsetail plot, or p-box. This results in an interval of probabilities for a specific response value, or an interval of response values at a specific probability.

Daniel C Kammer↗

NASA NTRS1985

A slewing control experiment for flexible structures

A hardware set-up has been developed to study slewing control for flexible structures including a steel beam and a solar panel. The linear optimal terminal control law is used to design active controllers which are implemented in an analog computer. The objective of this experiment is to demonstrate and verify the dynamics and optimal terminal control laws as applied to flexible structures for large angle maneuver. Actuation is provided by an electric motor while sensing is given by strain gages and angle potentiometer. Experimental measurements are compared with analytical predictions in terms of modal parameters of the system stability matrix and sufficient agreement is achieved to validate the theory.

Juang, J.-N.↗

NASA NTRS1994

Control of flexible structures with distributed sensing and processing

Technology is being developed to process signals from distributed sensors using distributed computations. These distributed sensors provide a new feedback capability for vibration control that has not been exploited. Additionally, the sensors proposed are of an optical and distributed nature and could be employed with known techniques of distributed optical computation (Fourier optics, etc.) to accomplish the control system functions of filtering and regulation in a distributed computer. This paper extends the traditional digital, optimal estimation and control theory to include distributed sensing and processing for this application. The design model assumes a finite number of modes which make it amenable to empirical determination of the design model via familiar modal-test techniques. The sensors are assumed to be distributed, but a finite number of point actuators are used. The design process is illustrated by application to a Euler beam. A simulation of the beam is used to design an optimal vibration control system that uses a distributed deflection sensor and nine linear force actuators. Simulations are also used to study the influence of design and processing errors on the performance.

Ghosh, Dave↗

NASA NTRS1983

A study of helicopter gust response alleviation by automatic control

Two control schemes designed to alleviate gust-induced vibration are analytically investigated for a helicopter with four articulated blades. One is an individual blade pitch control scheme. The other is an adaptive blade pitch control algorithm based on linear optimal control theory. In both controllers, control inputs to alleviate gust response are superimposed on the conventional control inputs required to maintain the trim condition. A sinusoidal vertical gust model and a step gust model are used. The individual blade pitch control, in this research, is composed of sensors and a pitch control actuator for each blade. Each sensor can detect flapwise (or lead-lag or torsionwise) deflection of the respective blade. The acturator controls the blade pitch angle for gust alleviation. Theoretical calculations to predict the performance of this feedback system have been conducted by means of the harmonic method. The adaptive blade pitch control system is composed of a set of measurements (oscillatory hub forces and moments), an identification system using a Kalman filter, and a control system based on the minimization of the quadratic performance function.

Saito, S.↗

NASA NTRS1989

Robust perturbation guidance for the advanced launch system

Real-time optimal trajectory generation for constructing guidance laws seems feasible. However, these deterministic guidance schemes may be sensitive to system and environmental uncertainties. To overcome this deficiency, it is suggested that the accessory problem about an optimal path, which generates a quadratic cost criterion in the perturbed states and control away from the optimal trajectory, be used as the cost criterion. A modified quadratic cost is minimized with respect to the perturbed control but maximized with respect to additive uncertainties in the linearized dynamics and in the linearized measurements. In this way, a robust neighboring optimum scheme is constructed. A perturbed guidance scheme is stated. To illustrate the theory, the second stage of a launch vehicle is considered. An optimal path is generated, and about this path a robust neighboring optimum guidance law is constructed and tested.

Speyer, Jason L.↗

NASA NTRS2016

Model-Based Engine Control Architecture with an Extended Kalman Filter

This paper discusses the design and implementation of an extended Kalman filter (EKF) for model-based engine control (MBEC). Previously proposed MBEC architectures feature an optimal tuner Kalman Filter (OTKF) to produce estimates of both unmeasured engine parameters and estimates for the health of the engine. The success of this approach relies on the accuracy of the linear model and the ability of the optimal tuner to update its tuner estimates based on only a few sensors. Advances in computer processing are making it possible to replace the piece-wise linear model, developed off-line, with an on-board nonlinear model running in real-time. This will reduce the estimation errors associated with the linearization process, and is typically referred to as an extended Kalman filter. The non-linear extended Kalman filter approach is applied to the Commercial Modular Aero-Propulsion System Simulation 40,000 (C-MAPSS40k) and compared to the previously proposed MBEC architecture. The results show that the EKF reduces the estimation error, especially during transient operation.

engine control↗

DOE OSTI2023

Effective dissipation rate in a Liouvillian-graph picture of high-temperature quantum hydrodynamics

At high temperature, generic strongly interacting spin systems are expected to display hydrodynamics: local transport of conserved quantities, governed by classical partial differential equations like the diffusion equation. I argue that the emergence of this dissipative long-wavelength dynamics from the system's unitary microscopic dynamics is controlled by the structure of the Liouvillian graph of the system's Hamiltonian, that is, the graph induced on Pauli strings by commutation with that Hamiltonian. The Liouvillian graph decomposes naturally into subgraphs of Pauli strings of constant diameter, and the coherent dynamics of these subgraphs determines the rate at which operator weight spreads to long operators. In conclusion, this argument provides a quantitative theory of the emergence of a dissipative effective dynamics from unitary microscopic dynamics; it also leads to an effective model with Hilbert space dimension linear in system size and exponential in the UV cutoff for diffusion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

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↗