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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 199 records · Page 11

MITgcm-AD v2: Open source tangent linear and adjoint modeling framework for the oceans and atmosphere enabled by the Automatic Differentiation tool Tapenade

The Massachusetts Institute of Technology General Circulation Model (MITgcm) is widely used by the climate science community to simulate planetary atmosphere and ocean circulations. A defining feature of the MITgcm is that it has been developed to be compatible with an algorithmic differentiation (AD) tool, TAF, enabling the generation of tangent-linear and adjoint models. These provide gradient information which enables dynamics-based sensitivity and attribution studies, state and parameter estimation, and rigorous uncertainty quantification. Importantly, gradient information is essential for computing comprehensive sensitivities and performing efficient large-scale data assimilation, ensuring that observations collected from satellites and in-situ measuring instruments can be effectively used to optimize a large uncertain control space. As a result, the MITgcm forms the dynamical core of a key data assimilation product employed by the physical oceanography research community: Estimating the Circulation and Climate of the Ocean (ECCO) state estimate. Although MITgcm and ECCO are used extensively within the research community, the AD tool TAF is proprietary and hence inaccessible to a large proportion of these users. The new version 2 (MITgcm-AD v2) framework introduced here is based on the source-to-source AD tool Tapenade, which has recently been open-sourced. Another feature of Tapenade is that it stores required variables by default (instead of recomputing them) which simplifies the implementation of efficient, AD-compatible code. The framework has been integrated with the MITgcm model’s main branch and is now freely available.

Adjoints↗

Application of an Optimal Tuner Selection Approach for On-Board Self-Tuning Engine Models

An enhanced design methodology for minimizing the error in on-line Kalman filter-based aircraft engine performance estimation applications is presented in this paper. It specific-ally addresses the under-determined estimation problem, in which there are more unknown parameters than available sensor measurements. This work builds upon an existing technique for systematically selecting a model tuning parameter vector of appropriate dimension to enable estimation by a Kalman filter, while minimizing the estimation error in the parameters of interest. While the existing technique was optimized for open-loop engine operation at a fixed design point, in this paper an alternative formulation is presented that enables the technique to be optimized for an engine operating under closed-loop control throughout the flight envelope. The theoretical Kalman filter mean squared estimation error at a steady-state closed-loop operating point is derived, and the tuner selection approach applied to minimize this error is discussed. A technique for constructing a globally optimal tuning parameter vector, which enables full-envelope application of the technology, is also presented, along with design steps for adjusting the dynamic response of the Kalman filter state estimates. Results from the application of the technique to linear and nonlinear aircraft engine simulations are presented and compared to the conventional approach of tuner selection. The new methodology is shown to yield a significant improvement in on-line Kalman filter estimation accuracy.

Simon, Donald L.↗

Robust state estimation with imperfect sensors

Robustness properties of extended Kalman-type filters are investigated for time-varying plants when nonlinearities or linear dynamics are present at the plant input and output. Sufficient conditions for the asymptotic stability (of the state estimation error) in the absence of noise are obtained when the nonlinearities or the linear dynamics are perfectly known. When the nonlinearities are known only within bands of uncertainty, the estimation error is shown to be ultimately bounded under certain conditions. The results obtained highlight the robustness properties of such filters, which are similar to, but not exact duals of those of linear quadratic regulators.

Joshi, S. M.↗

Estimating the seasonal carbon source-sink geography of a natural, steady-state terrestrial biosphere

The estimation of the seasonal dynamics of biospheric-carbon sources and sinks to be used as an input to global atmospheric CO2 studies and models is discussed. An ecological biosphere model is given and the advantages of the model are examined. Monthly maps of estimated biospheric carbon source and sink regions and estimates of total carbon fluxes are presented for an equilibrium terrestrial biosphere. The results are compared with those from other models. It is suggested that, despite maximum variations of atmospheric CO2 in boreal latitudes, the enormous contributions of tropical wet-dry regions to global atmospheric CO2 seasonality can not be ignored.

Box, Elgene O.↗

Optimal Sampling of a Reaction Coordinate in Molecular Dynamics

Estimating how free energy changes with the state of a system is a central goal in applications of statistical mechanics to problems of chemical or biological interest. From these free energy changes it is possible, for example, to establish which states of the system are stable, what are their probabilities and how the equilibria between these states are influenced by external conditions. Free energies are also of great utility in determining kinetics of transitions between different states. A variety of methods have been developed to compute free energies of condensed phase systems. Here, I will focus on one class of methods - those that allow for calculating free energy changes along one or several generalized coordinates in the system, often called reaction coordinates or order parameters . Considering that in almost all cases of practical interest a significant computational effort is required to determine free energy changes along such coordinates it is hardly surprising that efficiencies of different methods are of great concern. In most cases, the main difficulty is associated with its shape along the reaction coordinate. If the free energy changes markedly along this coordinate Boltzmann sampling of its different values becomes highly non-uniform. This, in turn, may have considerable, detrimental effect on the performance of many methods for calculating free energies.

Pohorille, Andrew↗

Estimability And Regulability Of Linear Systems

Report presents two new properties of systems characterized by linear state space models (e.g., dynamical systems and associated control systems): estimability and regulability. Provides criteria for reductions of errors and cost functions in control systems. Useful in design of optimal controllers and estimators.

Baram, Yoram↗

Target tracking via recursive Bayesian state estimation in cognitive radar networks

To cope with complicated environments and stealthier targets, incorporating intelligence and cognition cycles into target tracking is of great importance in modern sensor network management. With remarkable advances in sensor techniques and deployable platforms, a sensing system has freedom to select a subset of available radars, plan their trajectories, and transmit designed waveforms. In this paper, we propose a general framework for single target tracking in cognitive networks of radars, including consideration of waveform design, path planning, and radar selection, which are separately but not jointly taken into account in existing work. The tracking procedure, built on the theories of dynamic graphical models (DGM) and recursive Bayesian state estimation (RBSE), is formulated as two iterative steps: (i) solving a combinatorial optimization problem to select the optimal subset of radars, waveforms, and locations for the next tracking instant, and (ii) acquiring the recursive Bayesian state estimation to accurately track the target. Further, an illustrative example introduces a specific scenario in 2-D space. Simulation results based on the scenario demonstrate that the proposed framework can accurately track the target under the management of the network of radars.

47 OTHER INSTRUMENTATION↗

Dynamic Line Rating Oncor Electric Delivery Smart Grid Program

Electric transmission lines are the lifeline of the electric utility industry, delivering its product from source to consumer. This critical infrastructure is often constrained such that there is inadequate capacity on existing transmission lines to efficiently deliver the power to meet demand in certain areas or to transport energy from high-generation areas to high-consumption regions. When this happens, the cost of the energy rises; more costly sources of power are used to meet the demand or the system operates less reliably. These economic impacts are known as congestion, and they can amount to substantial dollars for any time frame of reference: hour, day or year. There are several solutions to the transmission constraint problem, including: construction of new generation, construction of new transmission facilities, rebuilding and reconductoring of existing transmission assets, and Dynamic Line Rating (DLR). All of these options except DLR are capital intensive, have long lead times and often experience strong public and regulatory opposition. The Smart Grid Demonstration Program (SGDP) project co-funded by the Department of Energy (DOE) and Oncor Electric Delivery Company developed and deployed the most extensive and advanced DLR installation to demonstrate that DLR technology is capable of resolving many transmission capacity constraint problems with a system that is reliable, safe and very cost competitive. The SGDP DLR deployment is the first application of DLR technology to feed transmission line real-time dynamic ratings directly into the system operation’s State Estimator and load dispatch program, which optimizes the matching of generation with load demand on a security, reliability and economic basis. The integrated Dynamic Line Rating (iDLR)1 collects transmission line parameters at remote locations on the lines, calculates the real-time line rating based on the equivalent conductor temperature, ambient temperature and influence of wind and solar radiation on the stringing section, transmits the data to the Transmission Energy Management System, validates its integrity and passes it on to Oncor and ERCOT (Electric Reliability Council of Texas) respective system operations. The iDLR system is automatic and transparent to ERCOT System Operations, i.e., it operates in parallel with all other system status telemetry collected through Supervisory Control and Data Acquisition (SCADA) employed across the company.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Biased estimation for dynamic systems.

Optimization and regulation of static and dynamic systems require good estimates of the states of the system model and the parameters of the model in the presence of input and measurement noise. A biased estimator is proposed as an alternative to the familiar best linear unbiased estimator. Depending on the value of a constant, this biased estimator can be made unbiased and is then identical to the best linear unbiased estimator, thus permitting additional freedom of choice in design and application. The sum of squared errors of this bs tmator can be less than the best linear unbiased case. An existence theorem is established and various properties are discussed.

Chang, J. W.↗

A square root formulation for the combined state-parameter estimator with application to the identification of sailplane performance

A square root formulation is presented for the discrete combined state parameter estimation problem with linear plant dynamics, Gaussian random disturbances, and constant but uncertain parameters. The estimator is a combination of the classical Kalman filter and a maximum likelihood algorithm which maximizes the parameter log-likelihood function using a first order search routine.

Froidevaux, M. R.↗

A Quantum Algorithm to Simulate Open Quantum Systems

Given the advent of quantum algorithms for a wide array of problems in linear algebra and machine learning, it is important to develop general methods for the simulation of arbitrary (ie non-unitary) operators on quantum hardware. In this talk, we present a novel quantum algorithm based on the quantum singular value transformation (QSVT) to apply an arbitrary operator K to some input state and subsequently estimate the expectation value of some observable. Our construction then immediately yields a route to estimating observables of states undergoing open quantum dynamics, whose effect is captured by a set of non-unitary Kraus operators. Our algorithm succeeds deterministically given the Sz-Nagy dilation, and we provide details on the algorithm's query and gate complexity, numerical verification, and comparisons with prior methods.

Quantum computing↗

Bilinear modeling and state estimation of slew-induced deformations of a flexible multibody system

A model of the nonlinear dynamics of a deformable maneuvering multibody system is described, whereby elastic deformations are modeled by restoring forces and dissipative forces at point mass appendages. This model is brought into bilinear form. Estimation of deformations occasioned by rapid slewing maneuvers is carried out by a filter based on a globally equivalent linear model of the bilinear dynamics, and is shown to be an improvement over the extended Kalman filter. To further alleviate the computational burden, the estimated deformation state is propagated between observations by a low dimensional operator spline interpolator of bilinear system Volterra series, which is easily implemented.

Dwyer, Thomas A. W., III↗

Computational Challenges for Power System Operation

As the power grid technology evolution and information technology revolution converge, power grids are witnessing a revolutionary transition, represented by emerging grid technologies and large scale deployment of new sensors and meters in networks. This transition brings opportunities, as well as computational challenges in the field of power grid analysis and operation. This paper presents some research outcomes in the areas of parallel state estimation using the preconditioned conjugated gradient method, parallel contingency analysis with a dynamic load balancing scheme and distributed system architecture. Based on this research, three types of computational challenges are identified: highly coupled applications, loosely coupled applications, and centralized and distributed applications. Recommendations for future work for power grid applications are also presented.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A nudged hybrid analysis and modeling approach for realtime wake-vortex transport and decay prediction

Here, we put forth a long short-term memory (LSTM) nudging framework for the enhancement of reduced order models (ROMs) of fluid flows utilizing noisy measurements for air traffic improvements. Toward emerging applications of digital twins in aviation, the proposed approach allows for constructing a realtime predictive tool for wake-vortex transport and decay systems. We build on the fact that in realistic application, there are uncertainties in initial and boundary conditions, model parameters, as well as measurements. Moreover, conventional nonlinear ROMs based on Galerkin projection (GROMs) suffer from imperfection and solution instabilities, especially for advection-dominated flows with slow decay in the Kolmogorov n-width. In the presented LSTM nudging (LSTM-N) approach, we fuse forecasts from a combination of imperfect GROM and uncertain state estimates, with sparse Eulerian sensor measurements to provide more reliable predictions in a dynamical data assimilation framework. We illustrate our concept by solving the two-dimensional vorticity transport equation. We investigate the effects of measurements noise and state estimate uncertainty on the performance of the LSTM-N behavior. We also demonstrate that it can sufficiently handle different levels of temporal and spatial measurement sparsity, and offer a huge potential in developing next-generation digital twin technologies for aerospace applications.

42 ENGINEERING↗

Robust state estimation of feeding–blending systems in continuous pharmaceutical manufacturing

State estimation is a fundamental part of monitoring, control, and real-time optimization in continuous pharmaceutical manufacturing. For nonlinear dynamic systems with hard constraints, moving horizon estimation (MHE) can estimate the current state by solving a well-defined optimization problem where process complexities are explicitly considered as constraints. Traditional MHE techniques assume random measurement noise governed by some normal distributions. However, state estimates can be unreliable if noise is not normally distributed or measurements are contaminated with gross or systematic errors. In this paper, to improve the accuracy and robustness of state estimation, we incorporate robust estimators within the standard MHE skeleton, leading to an extended MHE framework. The proposed MHE approach is implemented on two pharmaceutical continuous feeding–blending system (FBS) configurations which include loss-in-weight (LIW) feeders and continuous blenders. Numerical results show that our MHE approach is robust to gross errors and can provide reliable state estimates when measurements are contaminated with outliers and drifts. Finally and moreover, the efficient solution of the MHE realized in this work, suggests feasible application of on-line state estimation on more complex continuous pharmaceutical processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

BMINN: Learning chemical potentials and parameters from voltage data for multi-phase battery modeling

Free-energy landscapes and chemical potentials govern the dynamics of phase transitions, transport, and stability in functional materials, yet they remain experimentally inaccessible under realistic operating conditions. Here we introduce a Bayesian model-integrated neural network (BMINN) that embeds physics-based formulations of non-autonomous partial differential-algebraic equations into probabilistic learning. This approach reconstructs hidden thermodynamics directly from macroscopic current-voltage data, providing quantitative access to metastable states, staging transitions, and energy barriers without synchrotron probes. Demonstrated on lithium-graphite electrodes, BMINN recovers full Gibbs free-energy landscapes with fidelity validated against operando X-ray diffraction. The framework generalizes across dynamical regimes, enabling accurate voltage prediction, internal state estimation, and inference of governing parameters. Beyond batteries, BMINN exemplifies a broadly applicable strategy for learning missing physics in multiphase, non-equilibrium systems, offering a new pathway to uncover hidden thermodynamic functions across condensed matter and materials physics.

25 ENERGY STORAGE↗