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All sources NASA NTRS DOE OSTI

DOE OSTI2026

Dual Representations and H ∞ -Optimal Control of Partial Differential Equations

We consider H ∞ -optimal state-feedback control of the class of linear Partial Differential Equations (PDEs) which admit a Partial Integral Equation (PIE) representation. While linear matrix inequalities are commonly used for optimal control of Ordinary Differential Equations (ODEs), the absence of a universal state-space representation and suitable dual form prevents such methods from being applied to optimal control of PDEs. Specifically, for ODEs, the controller synthesis problem is defined in state-space, and duality is used to resolve the bilinearity of that synthesis problem. Recently, the PIE representation was proposed as a universal state-space representation for linear PDE systems. In this paper, we show that any PDE system represented by a PIE admits a dual PIE with identical stability and I/O properties. This result allows us to reformulate the stabilizing and optimal state-feedback control problems as convex optimization over the cone of positive Partial Integral (PI) operators. Operator inversion formulae then allow us to construct feedback gains for the original PDE system. The results are verified through application to several canonical problems in optimal control of PDEs and indicate the resulting bounds on H ∞ norm are not conservative.

42 ENGINEERING↗

DOE OSTI2026

Flow dynamics and heat transfer in simplified battery energy storage systems with heated battery modules

Large-scale energy storage systems (ESSs) composed of batteries show promise in addressing current energy challenges, but dissipation of generated heat is important. Here, this paper focuses on buoyant convective flows in simplified ESS battery racks. Natural convection is not generally the primary cooling strategy but can be important in abnormal scenarios where there is module overheat or potentially thermal runaway. We use computational fluid dynamics to investigate the flow dynamics and heat transfer mechanisms in a simplified parameterized rack design. Despite its simplicity, this configuration produces many of the relevant features expected in real ESSs without details of module geometry or hardware, allowing broad conclusions independent of manufacture-specific designs. We start by providing visualizations of the flowfield and measurements of entrainment, heat flux, and pressure. To characterize the dependence on the system parameters, we develop an integral-scale analysis of the average temperature equation to highlight the dominant source terms. We use results from this analysis to derive a steady network model composed of simple algebraic expressions to provide first-order predictions of entrainment through the rack. The network model leads to a linear scaling of the Reynolds number based on convective mass flux with respect to the Grashof number based on the heat source. We deduce empirical relationships that relate the heat exchanged between modules using a surface-averaged Nusselt number as a function of the local Reynolds and Rayleigh numbers. Lastly, we investigate how space between the modules and rack in the spanwise direction creates flow bypass, resulting in different flow pathways.

Battery thermal management↗

NASA NTRS1990

Randomly Sampled-Data Control Systems

The purpose is to solve the Linear Quadratic Regulator (LQR) problem with random time sampling. Such a sampling scheme may arise from imperfect instrumentation as in the case of sampling jitter. It can also model the stochastic information exchange among decentralized controllers to name just a few. A practical suboptimal controller is proposed with the nice property of mean square stability. The proposed controller is suboptimal in the sense that the control structure is limited to be linear. Because of i. i. d. assumption, this does not seem unreasonable. Once the control structure is fixed, the stochastic discrete optimal control problem is transformed into an equivalent deterministic optimal control problem with dynamics described by the matrix difference equation. The N-horizon control problem is solved using the Lagrange's multiplier method. The infinite horizon control problem is formulated as a classical minimization problem. Assuming existence of solution to the minimization problem, the total system is shown to be mean square stable under certain observability conditions. Computer simulations are performed to illustrate these conditions.

Han, Kuoruey↗

DOE OSTI2023

Hierarchical off-diagonal low-rank approximation of Hessians in inverse problems, with application to ice sheet model initialization

Obtaining lightweight and accurate approximations of discretized objective functional Hessians in inverse problems governed by partial differential equations (PDEs) is essential to make both deterministic and Bayesian statistical large-scale inverse problems computationally tractable. The cubic computational complexity of dense linear algebraic tasks, such as Cholesky factorization, that provide a means to sample Gaussian distributions and determine solutions of Newton linear systems is a computational bottleneck at large-scale. These tasks can be reduced to log-linear complexity by utilizing hierarchical off-diagonal low-rank (HODLR) matrix approximations. In this work, we show that a class of Hessians that arise from inverse problems governed by PDEs are well approximated by the HODLR matrix format. In particular, we study inverse problems governed by PDEs that model the instantaneous viscous flow of ice sheets. In these problems, we seek a spatially distributed basal sliding parameter field such that the flow predicted by the ice sheet model is consistent with ice sheet surface velocity observations. Here, we demonstrate the use of HODLR Hessian approximation to efficiently sample the Laplace approximation of the posterior distribution with covariance further approximated by HODLR matrix compression. Computational studies are performed which illustrate ice sheet problem regimes for which the Gauss–Newton data-misfit Hessian is more efficiently approximated by the HODLR matrix format than the low-rank (LR) format. We then demonstrate that HODLR approximations can be favorable, when compared to global LR approximations, for large-scale problems by studying the data-misfit Hessian associated with inverse problems governed by the first-order Stokes flow model on the Humboldt glacier and Greenland ice sheet.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1978

Gaussian step-pressure loading of rigid viscoplastic plates

The response of a thin, rigid viscoplastic plate subjected to a spatially axisymmetric Gaussian step pressure impulse loading was studied analytically. A Gaussian pressure distribution in excess of the collapse load was applied to the plate, held constant for a length of time, and then suddenly removed. The plate deforms with monotonically increasing deflections until the dynamic energy is completely dissipated in plastic work. The simply supported plate of uniform thickness obeys the von Mises yield criterion and a generalized constitutive equation for rigid viscoplastic materials. For the small deflection bending response of the plate, the governing system of equations is essentially nonlinear. Transverse shear stress is neglected in the yield condition and rotary inertia in the equations of dynamic equilibrium. A proportional loading technique, known to give excellent approximations of the exact solution for the uniform load case, was used to linearize the problem and to obtain the analytical solutions in the form of eigenvalue expansions. The effects of load concentration, of an order of magnitude change in the viscosity of the plate material, and of load duration were examined while holding the total impulse constant.

Hayduk, R. J.↗

NASA NTRS1988

Rotordynamic analysis of a bearing tester

The properties of the solutions of a system of four coupled nonlinear differential equations that model the behavior of the rotating shaft of a bearing tester are studied. In particular, it is shown how the bounds for the rotations of these equations can be obtained from bounds for the solutions of the linearized equations. By studying the behavior of the Fourier transforms of the solution, the approach to the stability boundary can also be predicted. These conclusions are verified by means of numerical solutions of the equations, and of power spectrum density (PSD) plots.

Zalik, Richard A.↗

NASA NTRS1989

A Transient Response Method for Linear Coupled Substructures

A method is presented for determining the transient response of a discrete coordinate model of a linear structural system composed of substructures. The method is applicable to systems consisting of any number of substructures, both determinate and indeterminate interface boundaries, and any topological arrangement of the substructures. The method is simple to implement from a computational point of view because the equations of motion of each of the substructures are solved independently, and the interface boundary compatibility conditions are enforced at each integration time step by a matrix multiplication. The method is demonstrated for a structural system consisting of two beam segments and acted upon by a time dependent force. The numerical results from the demonstration problem validates the accuracy of the method. The application of this method to structural systems with changing interface boundary conditions between substructures is discussed.

Admire, J. R.↗

NASA NTRS1993

Progress in multidisciplinary design optimization at NASA Langley

Multidisciplinary Design Optimization refers to some combination of disciplinary analyses, sensitivity analysis, and optimization techniques used to design complex engineering systems. The ultimate objective of this research at NASA Langley Research Center is to help the US industry reduce the costs associated with development, manufacturing, and maintenance of aerospace vehicles while improving system performance. This report reviews progress towards this objective and highlights topics for future research. Aerospace design problems selected from the author's research illustrate strengths and weaknesses in existing multidisciplinary optimization techniques. The techniques discussed include multiobjective optimization, global sensitivity equations and sequential linear programming.

Padula, Sharon L.↗

NASA NTRS1998

Congruence Approximations for Entrophy Endowed Hyperbolic Systems

Building upon the standard symmetrization theory for hyperbolic systems of conservation laws, congruence properties of the symmetrized system are explored. These congruence properties suggest variants of several stabilized numerical discretization procedures for hyperbolic equations (upwind finite-volume, Galerkin least-squares, discontinuous Galerkin) that benefit computationally from congruence approximation. Specifically, it becomes straightforward to construct the spatial discretization and Jacobian linearization for these schemes (given a small amount of derivative information) for possible use in Newton's method, discrete optimization, homotopy algorithms, etc. Some examples will be given for the compressible Euler equations and the nonrelativistic MHD equations using linear and quadratic spatial approximation.

Barth, Timothy J.↗

DOE OSTI2026

Learning thermodynamic master equations for open quantum systems

The characterization of Hamiltonians and other components of open quantum dynamical systems plays a crucial role in quantum computing and other applications. Scientific machine learning techniques have been applied to this problem in a variety of ways, including by modeling with deep neural networks. However, the majority of mathematical models describing open quantum systems are linear, and the natural nonlinearities in learnable models have not been incorporated using physical principles. We present a data-driven model for open quantum systems that includes learnable, thermodynamically consistent terms. The trained model is interpretable, as it directly estimates the system Hamiltonian and linear components of coupling to the environment. We validate the model on synthetic two and three-level data, as well as experimental two-level data collected from a quantum device at Lawrence Livermore National Laboratory.

Mathematics and Computing↗

DOE OSTI2020

Efficient and robust stability analysis in the internal energy, volume, and moles (UVN) space

Hydrodynamic simulation of fluids in vessels is often based on the internal energy (U), volume (V), and the number of moles of all components ( re N = N 1 , N 2 , ..., N n ) as the working variables to determine the thermodynamic state by finding the global maximum of entropy. The procedure of finding the equilibrium state may be divided into two steps: stability analysis and phase-split computations. Stability analysis is performed first, and the phase-split computation proceeds if the system is unstable. Most of the past work on UVN space has been based on phase-split computations, while the stability analysis is barely investigated. Furthermore, previous studies for the stability analysis use only Newton's method to solve the non-linear algebraic equations. We present an efficient and robust approach for stability analysis where UVN is specified. The successive substitution iteration (SSI) is used to provide good initial guesses for Newton's method. The proposed approach results in a reduced number of unknowns and does not require a large number of iterations to achieve convergence in Newton's method. Overall, our proposed formulation is compatible with different equations of state and is applicable to both pure component and multi-components. The robustness and efficiency of the algorithm for stability analysis are demonstrated in various examples.

02 PETROLEUM↗

DOE OSTI2023

Optimization-Based Azeotropic Distillation System Synthesis Using Geometric Insights

The synthesis of azeotropic distillation systems is challenging due to the existence of compartments in the residue curve map coupled with the combinatorial aspects from numerous possible system configurations. In this work, an optimization-based approach is introduced to synthesize homogeneous azeotropic distillation systems. The approach employs a network-based representation generated via a matrix method. To design the distillation columns, the modified Underwood equations are adopted, in which pseudocomponent-based compositions are used. For cases where separatrices are significantly curved, corrections via piece-wise linear functions and collinearity properties are implemented. Two examples are presented to illustrate the proposed approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

N 5 -Scaling Excited-State-Specific Perturbation Theory

In this paper, we show that by working in a basis similar to that of the natural transition orbitals and using a modified zeroth-order Hamiltonian, the cost of a recently introduced perturbative correction to excited-state mean field theory can be reduced from seventh to fifth order in the system size. The (occupied) 2 (virtual) 3 asymptotic scaling matches that of ground-state second-order Møller-Plesset theory but with a significantly higher prefactor because the bottleneck is iterative: it appears in the Krylov-subspace-based solution of the linear equation that yields the first-order wave function. Here, we discuss the details of the modified zeroth-order Hamiltonian we use to reduce the cost and the automatic code generation process we used to derive and verify the cost scaling of the different terms. Overall, we find that our modifications have little impact on the method's accuracy, which remains competitive with singles and doubles equation-of-motion coupled cluster.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1986

Three-dimensional grids as solutions of elliptic systems

An elliptic grid generation scheme is described which produces a curvilinear, boundary-fitted grid for highly swept wings with sharp leading edges. The three-dimensional integration domain is segmented in successive crossflow sections wherein the physical coordinates are transformed to computational coordinates by solving an elliptic set of two quasi-linear differential equations. Grid points are clustered in the vicinity of the wing surface, especially in the neighborhood of the leading edges. The formulation of the source terms in the equations governing the transformation contains adjustable parameters which are determined from limiting forms of the elliptic equations along the boundaries. The source terms are assigned to each grid point by interpolation of these parameters into the interior domain. The formulation does not depend on the boundary shape or on the distribution of the grid points along the boundaries. For the first time, the discretized governing equations have been solved using a fast AF1 iteration scheme.

Hartwich, P.-M.↗

NASA NTRS1986

Discrete-time Markovian-jump linear quadratic optimal control

This paper is concerned with the optimal control of discrete-time linear systems that possess randomly jumping parameters described by finite-state Markov processes. For problems having quadratic costs and perfect observations, the optimal control laws and expected costs-to-go can be precomputed from a set of coupled Riccati-like matrix difference equations. Necessary and sufficient conditions are derived for the existence of optimal constant control laws which stabilize the controlled system as the time horizon becomes infinite, with finite optimal expected cost.

Chizeck, H. J.↗

NASA NTRS1987

Nonlinear feedback control of multiple robot arms

Multiple coordinated robot arms are modeled by considering the arms: (1) as closed kinematic chains, and (2) as a force constrained mechanical system working on the same object simultaneously. In both formulations a new dynamic control method is discussed. It is based on a feedback linearization and simultaneous output decoupling technique. Applying a nonlinear feedback and a nonlinear coordinate transformation, the complicated model of the multiple robot arms in either formulation is converted into a linear and output decoupled system. The linear system control theory and optimal control theory are used to design robust controllers in the task space. The first formulation has the advantage of automatically handling the coordination and load distribution among the robot arms. In the second formulation, by choosing a general output equation, researchers can superimpose the position and velocity error feedback with the force-torque error feedback in the task space simultaneously.

Tarn, T. J.↗

NASA NTRS1989

A parametric heat transfer study for cryogenic ball bearings in SSME HPOTP

A numerical modeling is to examine the effects of coolant convective heat transfer coefficient and frictional heating on the local temperature characteristics of a ball element in Space Shuttle Main Engine (SSME) High Pressure Oxidizer Turbopump (HPOTP) bearing. The present modeling uses a control-volume based, finite-difference method to solve the non-dimensionalized heat conduction equation in spherical coordinate system. The dimensionless temperature is found as a function of Biot number, heat flux ratio between the two race contacts, and location in the ball. The current results show that, for a given cooling capability, the ball temperature generally increases almost linearly with the heat input from the race-contacts. This increase is always very high at one of the two contacts. An increase in heat transfer coefficient generally reduces the ball temperature and alleviates the temperature gradient, except for the regions very close to the race contacts. For a 10-fold increase of heat transfer coefficient, temperature decrease is 35 percent for the average over entire ball, and 10 percent at the inner-race contact. The corresponding change of temperature gradient displays opposing trends between the regions immediately adjacent to the contacts and the remaining portion of the ball. The average temperature gradient in the vicinity of both contacts increases approximately 70 to 100 percent. A higher temperature gradient produces excessive thermal stress locally which may be detrimental to the material integrity. This, however, is the only unfavorable issue for an increase of heat transfer coefficient.

Chyu, Mingking K.↗

NASA NTRS1996

Computations of Drop Collision and Coalescence

Computations of drops collisions, coalescence, and other problems involving drops are presented. The computations are made possible by a finite difference/front tracking technique that allows direct solutions of the Navier-Stokes equations for a multi-fluid system with complex, unsteady internal boundaries. This method has been used to examine the various collision modes for binary collisions of drops of equal size, mixing of two drops of unequal size, behavior of a suspension of drops in linear and parabolic shear flows, and the thermal migration of several drops. The key results from these simulations are reviewed. Extensions of the method to phase change problems and preliminary results for boiling are also shown.

Tryggvason, Gretar↗