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NASA NTRS1988

Optimal post-experiment estimation of poorly modeled dynamic systems

Recently, a novel strategy for post-experiment state estimation of discretely-measured dynamic systems has been developed. The method accounts for errors in the system dynamic model equations in a more general and rigorous manner than do filter-smoother algorithms. The dynamic model error terms do not require the usual process noise assumptions of zero-mean, symmetrically distributed random disturbances. Instead, the model error terms require no prior assumptions other than piecewise continuity. The resulting state estimates are more accurate than filters for applications in which the dynamic model error clearly violates the typical process noise assumptions, and the available measurements are sparse and/or noisy. Estimates of the dynamic model error, in addition to the states, are obtained as part of the solution of a two-point boundary value problem, and may be exploited for numerous reasons. In this paper, the basic technique is explained, and several example applications are given. Included among the examples are both state estimation and exploitation of the model error estimates.

Mook, D. Joseph↗

DOE OSTI2021

Component-wise reduced order model lattice-type structure design

Lattice-type structures can provide a combination of stiffness with light weight that is desirable in a variety of applications. Design optimization of these structures must rely on approximations of the governing physics to render solution of a mathematical model feasible. In this paper, we propose a topology optimization (TO) formulation that approximates the governing physics using component-wise reduced order modeling as introduced in Huynh et al. (2013); Eftang and Patera (2013), which can reduce solution time by multiple orders of magnitude over a full-order finite element model while providing a relative error in the solution of 1%. In addition, the offline training data set from such component-wise models is reusable, allowing its application to many design problems for only the cost of a single offline training phase, and the component-wise method is nearly embarrassingly parallel. We also show how the parameterization chosen in our optimization allows a simplification of the component-wise reduced order model (CWROM) not noted in previous literature, for further speedup of the optimization process. Furthermore, the sensitivity of the compliance with respect to the particular parameterization is derived solely at the component level. In numerical examples, we demonstrate a 1000x speedup over a full-order FEM model with relative error of 1% and show minimum compliance designs for two different cantilever beam examples, one smaller and one larger. Finally, error bounds for the displacement field, compliance, and compliance sensitivity of the CWROM are derived.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Multiscale analysis in solids with unseparated scales: fine-scale recovery, error estimation, and coarse-scale adaptivity

There are several engineering applications in which the assumptions of homogenization and scale separation may be violated, in particular, for metallic structures constructed through additive manufacturing. Instead of resorting to direct numerical simulation of the macroscale system with an embedded fine scale, an alternative approach is to use an approximate macroscale constitutive model, but then estimate the model-form error using a posteriori error estimation techniques and subsequently adapt the macroscale model to reduce the error for a given boundary value problem and quantity of interest. Here, we investigate this approach to multiscale analysis in solids with unseparated scales using the example of an additively manufactured metallic structure consisting of a polycrystalline microstructure that is neither periodic nor statistically homogeneous. As a first step to the general nonlinear case, we focus here on linear elasticity in which each grain within the polycrystal is linear elastic but anisotropic.

42 ENGINEERING↗

NASA NTRS2001

Dynamical Interpolation of Mesoscale Flows in the TOPEX/Poseidon Diamond Surrounding the U.S. Joint Global Ocean Flux Study Bermuda Atlantic Time-Series Study Site

An open boundary ocean model is configured in a domain bounded by the four TOPEX/Poseidon (T/P) ground tracks surrounding the US Joint Global Ocean Flux Study Bermuda Atlantic Time-Series Study (BATS) site. This implementation facilitates prescription of model boundary conditions directly from altimetric measurements (both TIP and ERS-2). The expected error characteristics for a domain of this size with periodically updated boundary conditions are established with idealized numerical experiments using simulated data. A hindcast simulation is then constructed using actual altimetric observations during the period October 1992 through September 1998. Quantitative evaluation of the simulation suggests significant skill. The correlation coefficient between predicted sea level anomaly and ERS observations in the model interior is 0.89; that for predicted versus observed dynamic height anomaly based on hydrography at the BATS site is 0.73. Comparison with the idealized experiments suggests that the main source of error in the hindcast is temporal undersampling of the boundary conditions. The hindcast simulation described herein provides a basis for retrospective analysis of BATS observations in the context of the mesoscale eddy field.

McGillicuddy, Dennis J., Jr.↗

NASA NTRS2001

Dynamical Interpolation of Mesoscale Flows in the TOPEX/ Poseidon Diamond Surrounding the U.S. Joint Global Ocean Flux Study Bermuda Atlantic Time-Series Study Site

An open boundary ocean model is configured in a domain bounded by the four TOPEX/Poseidon (TIP) ground tracks surrounding the U.S. Joint Global Ocean Flux Study Bermuda Atlantic Time-series Study (BATS) site. This implementation facilitates prescription of model boundary conditions directly from altimetric measurements (both TIP and ERS-2). The expected error characteristics for a domain of this size with periodically updated boundary conditions are established with idealized numerical experiments using simulated data. A hindcast simulation is then constructed using actual altimetric observations during the period October 1992 through September 1998. Quantitative evaluation of the simulation suggests significant skill. The correlation coefficient between predicted sea level anomaly and ERS observations in the model interior is 0.89; that for predicted versus observed dynamic height anomaly based on hydrography at the BATS site is 0.73. Comparison with the idealized experiments suggests that the main source of error in the hindcast is temporal undersampling of the boundary conditions. The hindcast simulation described herein provides a basis for retrospective analysis of BATS observations in the context of the mesoscale eddy field.

McGillicuddy, D. J.↗

NASA NTRS1980

Grid generation using differential systems techniques

The errors in approximating the derivatives of a function by traditional central differences at grid points of a curvilinear coordinate system were examined. The implications concerning the accuracy of the numerical solution of a partial differential equation are explained by considering several numerical examples. Although this study only considers the two dimensional case, the techniques and implications are equally valid for three dimensional grids. An interesting feature of the error analysis is its simplicity. Most of the results follow by merely working with the truncation terms of some power series expansion. These series expansions also give rise to higher order difference approximations which can significantly reduce error when the grid spacing changes rapidly, as might be the case in problems with shock waves or thin boundary layers.

Thompson, J. F.↗

NASA NTRS2020

Evaluation of adjoint-based observation impacts as a function of forecast length using an Observing System Simulation Experiment

Adjoints of numerical weather prediction models may be employed for Forecast Sensitivity to Observation (FSO) in order to monitor the contribution of ingested observation data on short-term forecast skill. However, the calculation of short-term forecast error is difficult due to the lack of a truly independent dataset for verification. In an Observing System Simulation Experiment framework, the Nature Run is able to provide a true and complete verification dataset and allows accurate evaluation of short term forecast errors. In this work, an OSSE developed at the National Aeronautics and Space Administration Global Modeling and Assimilation Office is used to explore the impact of observational data on forecasts in the 6 to 48 hour range. An adjoint of the Global Earth Observing System model is employed to compare the observation impacts estimated using both self-analysis verification and the true Nature Run verification. Self-analysis verification is found to inflate the estimated forecast error growth during the early forecast period, resulting in overestimations of observation impacts, particularly in the 6-12 hour forecast range. By 48 hours, the self-analysis verification estimates of forecast error and observation impacts more closely match the true values. The fraction of beneficial observations is also overinflated at short forecast times when self-analysis verification is used. The progression of impacts of an individual observation or data type depends on the character of the growth of the initial condition error that each observation affects.

numerical weather prediction↗

DOE OSTI2021

MFNets: data efficient all-at-once learning of multifidelity surrogates as directed networks of information sources

We present an approach for constructing a surrogate from ensembles of information sources of varying cost and accuracy. The multifidelity surrogate encodes connections between information sources as a directed acyclic graph, and is trained via gradient-based minimization of a nonlinear least squares objective. While the vast majority of state-of-the-art assumes hierarchical connections between information sources, our approach works with flexibly structured information sources that may not admit a strict hierarchy. The formulation has two advantages: (1) increased data efficiency due to parsimonious multifidelity networks that can be tailored to the application; and (2) no constraints on the training data—we can combine noisy, non-nested evaluations of the information sources. Finally, numerical examples ranging from synthetic to physics-based computational mechanics simulations indicate the error in our approach can be orders-of-magnitude smaller, particularly in the low-data regime, than single-fidelity and hierarchical multifidelity approaches.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Long-time simulations for fixed input states on quantum hardware

Publicly accessible quantum computers open the exciting possibility of experimental dynamical quantum simulations. While rapidly improving, current devices have short coherence times, restricting the viable circuit depth. Despite these limitations, we demonstrate long-time, high fidelity simulations on current hardware. Specifically, we simulate an XY-model spin chain on Rigetti and IBM quantum computers, maintaining a fidelity over 0.9 for 150 times longer than is possible using the iterated Trotter method. Our simulations use an algorithm we call fixed state Variational Fast Forwarding (fsVFF). Recent work has shown an approximate diagonalization of a short time evolution unitary allows a fixed-depth simulation. fsVFF substantially reduces the required resources by only diagonalizing the energy subspace spanned by the initial state, rather than over the total Hilbert space. We further demonstrate the viability of fsVFF through large numerical simulations, and provide an analysis of the noise resilience and scaling of simulation errors.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

A Secure and Adaptive Hierarchical Multi-Timescale Framework for Resilient Load Restoration Using a Community Microgrid

Distribution system integrated community microgrids (CMGs) can partake in restoring loads during extended duration outages. At such times, the CMGs are challenged with limited resource availability, absence of robust grid support, and heightened demand-supply uncertainty. Here, this paper proposes a secure and adaptive three-stage hierarchical multi-timescale framework for scheduling and real-time (RT) dispatch of CMGs with hybrid PV systems to address these challenges. The framework enables the CMG to dynamically expand its boundary to support the neighboring grid sections and is adaptive to the changing forecast error impacts. The first stage solves a stochastic extended duration scheduling (EDS) problem to obtain referral plans for optimal resource rationing. The intermediate near-real-time (NRT) scheduling stage updates the EDS schedule closer to the dispatch time using new obtained forecasts, followed by the RT dispatch stage. To make the decisions more secure and robust against forecast errors, a novel concept called delayed recourse is designed. The approach is evaluated via numerical simulations on a modified IEEE 123-bus system and validated using OpenDSS and hardware-in-loop simulations. The results show superior performance in maximizing load supply and continuous secure distribution network operation under different operating scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

From Data to Discovery: AI's Transformative Role in Thin Film Research

The advancement of thin film technologies is pivotal for progress in numerous fields, including energy, electronics, and quantum computing. However, the traditional trial-and-error approach to materials discovery is inherently slow and inefficient. This presentation will showcase how artificial intelligence (AI) is transforming thin film research by enabling a data-driven paradigm shift. We will highlight our past successes in applying AI to understand radiation damage in thin film oxides, demonstrating how graph analytics can unravel complex material behavior. Additionally, we will provide insights into our current work at the National Renewable Energy Laboratory, where we are leading the charge in autonomous materials science. Backed by a $14M investment in our characterization facility, we are developing AI-guided workflows that seamlessly integrate experimentation and AI-guided decision-making. By harnessing the power of AI, we aim to accelerate the discovery and design of high-performance thin films, propelling innovation across a multitude of industries.

36 MATERIALS SCIENCE↗

NASA NTRS1978

Analysis of stellar occultation data - Effects of photon noise and initial conditions

An occultation light curve can be analyzed to provide information about a planetary atmosphere. Temperature, pressure, and number density profiles for the atmosphere of Mars are derived from a series of boundary layer equations, which invert equal increments of altitude (as opposed to time) in order to predict the noise quality of the occultation. Numerical results are given for a noisy isothermal light curve, with special attention to error analysis.

French, R. G.↗

NASA NTRS1978

The determination of gravity anomalies from geoid heights using the inverse Stokes' formula, Fourier transforms, and least squares collocation

A numerical method for the determination of gravity anomalies from geoid heights is described using the inverse Stokes formula. This discrete form of the inverse Stokes formula applies a numerical integration over the azimuth and an integration over a cubic interpolatory spline function which approximates the step function obtained from the numerical integration. The main disadvantage of the procedure is the lack of a reliable error measure. The method was applied on geoid heights derived from GEOS-3 altimeter measurements in the calibration area of the GEOS-3 satellite.

Rummel, R.↗

NASA NTRS1979

Formulations and applications of large structure actuator and sensor placements

A new approach based on the steady-state solutions of the optimal control and estimation problems is presented to study respectively the actuator and sensor locations for large flexible structures. A simple and computer-implementable formulation for minimizing the steady state optimal cost function and the state estimation error inherent in the estimation process is given. In conjunction with the new approach, two criteria are established relating the actuator and the sensor placement optimalities respectively to the minimums of the optimal cost function and the state estimation error. To illustrate the concepts of this paper, we present the results of some numerical and analytical studies on the actuator and the sensor locations of several simple flexible beam modes.

Juang, J.-N.↗

NASA NTRS1981

A general time element for orbit integration in Cartesian coordinates

Two techniques are discussed for increasing the accuracy of the numerical integration of eccentric orbits in Cartesian coordinates. One involves the use of an independent variable different from time; this increases the efficiency of the numerical integration. The other uses a time element, which reduces the in-track error. A general expression is given of a time element valid for an arbitrary independent variable. It is pointed out that this time element makes it possible to switch the independent variable merely by applying a scaling factor; there is no need to change the differential equations of the motion. Eccentric, true, and elliptic anomalies are used as independent variables in the case of a transfer orbit for a geosynchronous orbit. The elliptic anomaly is shown to perform much better than the other classical anomalies.

Janin, G.↗

NASA NTRS1984

On the implementation of modal filters for control of structures

The most common technique for the control of structures is modal control. In modal control, the differential equations in terms of actual coordinates are replaced by a set of ordinary differential equations in terms of the modal coordinates known as modal equations. In designing feedback controls in conjunction with the modal equations, one must know the modal states for the modes targeted for control. The sensors measure actual states, however. The modal states can be estimated by means of a Luenberger observer or modal filters. The modal filters produce estimates of the modal states from distributed measurements of the states. If distributed measurements are not available, then they can be reconstructed from measurements at discrete points via interpolation. This paper examines various questions associated with the implementation of modal filters, such as the effect of choice of interpolation functions and sensors locations, as well as of measurement errors, on the state estimation process. The method is demonstrated by means of two numerical examples.

Meirovitch, L.↗

NASA NTRS1987

The use of a numerical filter to correct airborne temperature measurements for the effects of sensor lag

A numerical filter for transforming measured temperature signals into a close approximation of the actual temperature signal is described. The filter is derived by minimizing the mean-square error of the system, and assuming a knowledge of the characteristics of the sensing element and its housing. The equation representing the frequency-response function of the numerical filter is given. Input and output spectra for a filter applied to a case with negligible noise and a noise level of 1.5 percent of the total power in the input spectrum are analyzed, and the numerical weights for these two cases are calculated. Phase angle and gain for the entire system are examined. It is noted that the filter can enhance spectral components as high as 8 Hz with little phase and gain degradation over the bandwidth.

Ritter, John A.↗

NASA NTRS1988

Backward differentiation approximations of nonlinear differential/algebraic systems

Finite-difference approximations of dynamical systems modeled by nonlinear, semiexplicit, differential/algebraic equations are analyzed. Convergence for the backward differentiation method is proved for index two and index three problems when the numerical initial values obey certain constraints. The appropriate asymptotic convergence rates and the leading error terms are determined.

Brenan, Kathryn E.↗