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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 631 records · Page 35

Intrusive Uncertainty Quantification and Optimal Experiment Design in the Open-Source Pyomo Ecosystem

This contribution describes ParmEst and Pyomo.DoE, two pillars of the open-source Python-based Pyomo ecosystem for computational optimization with (partial differential) algebraic equation mathematical models. Specifically, ParmEst facilitates intrusive frequentist parameter estimation (PE) and uncertainty quantification (UQ) through built-in features, such as covariance matrix estimation, bootstrapping, and likelihood ratio tests. Complementary, Pyomo.DoE enables optimal experiment design by maximizing various metrics of the Fisher information matrix, such as A-optimality (trace), D-optimality (determinant), E-optimality (minimum eigenvalue), and ME-optimality (condition number). ParmEst and Pyomo.DoE can solve high-dimensional optimization problems by leveraging the model structure and exact derivative information. Finally, we will discuss future opportunities to integrate PE and UQ capabilities with optimization under uncertainty, including robust optimization with non-convex models via PyROS.

97 MATHEMATICS AND COMPUTING↗

Urine sampling and collection system optimization and testing

A Urine Sampling and Collection System (USCS) engineering model was developed to provide for the automatic collection, volume sensing and sampling of urine from each micturition. The purpose of the engineering model was to demonstrate verification of the system concept. The objective of the optimization and testing program was to update the engineering model, to provide additional performance features and to conduct system testing to determine operational problems. Optimization tasks were defined as modifications to minimize system fluid residual and addition of thermoelectric cooling.

Fogal, G. L.↗

Modified SUMT for structural synthesis

The concepts of the singular perturbation theory are employed to modify the SUMT (Sequential Unconstrained Minimization Technique) algorithm of Fiacco-McCormick (1968) in order to make it more robust and reliable. The algorithm, which uses a sequence of penalty parameters to convert a constrained problem into a sequence of unconstrained problems, suffers from the need to minimize an ill-conditioned penalty function. By using the modified SUMT algorithm on two different structural optimization problems, it is shown that the singular perturbation SUMT easily converges to accurate solutions.

Kamat, M. P.↗

Reduced Uncertainties in the Flutter Analysis of the Aerostructures Test Wing

Tuning the finite element model using measured data to minimize the model uncertainties is a challenging task in the area of structural dynamics. A test validated finite element model can provide a reliable flutter analysis to define the flutter placard speed to which the aircraft can be flown prior to flight flutter testing. Minimizing the difference between numerical and experimental results is a type of optimization problem. Through the use of the National Aeronautics and Space Administration Dryden Flight Research Center s (Edwards, California, USA) multidisciplinary design, analysis, and optimization tool to optimize the objective function and constraints; the mass properties, the natural frequencies, and the mode shapes are matched to the target data and the mass matrix orthogonality is retained. The approach in this study has been applied to minimize the model uncertainties for the structural dynamic model of the aerostructures test wing, which was designed, built, and tested at the National Aeronautics and Space Administration Dryden Flight Research Center. A 25-percent change in flutter speed has been shown after reducing the uncertainties

Pak, Chan-gi↗

Model Predictive Control in the Three-body Problem Using Invariant Funnels As Terminal Sets

This paper describes a method for augmenting Model Predictive Control techniques using invariant funnels computed in the Circular Restricted Three-Body Problem. We use ellipsoids that roughly approximate the boundary of the invariant funnel as convex terminal sets for a short look-ahead optimization problem at each time step. We apply this method to a hypothetical low-thrust mission to land on Jupiter’s mooon Europa and show that including the invariant funnels as terminal sets reduces the amount of control effort required by almost an order of magnitude.

Close, Sigrid↗

Application of A Dual-Quaternion Six Degree-of-Freedom Guidance to Human-Scale Mars Entry, Descent, and Landing

Landing humans on Mars comes with many challenges, including the execution of a safe and precise entry, descent, and landing (EDL) sequence. Various NASA studies have shown that there are a variety of EDL guidance methods that potentially offer solutions to the human-scale EDL precision landing problem and work is ongoing to assess new and novel methods. As part of these ongoing studies, a dual-quaternion-based six degree-of-freedom guidance algorithm was implemented in the Program to Optimize Simulated Trajectories II (POST2), a NASA-and industry-standard spacecraft trajectory and vehicle design tool. This algorithm considers both translational and rotational dynamics and casts the trajectory optimization problem as a quadratically constrained quadratic program (QCQP) with various constraints at discrete nodes throughout the trajectory. The QCQP problem is solved via an alternating direction method of multipliers (ADMM) approach, and the output is a discretized optimal trajectory. The guidance is applied to a NASA reference human-scale Mars EDL system, and results are compared and discussed.

Optimization↗

Application of A Dual-Quaternion Six Degree-of-Freedom Guidance to Human-Scale Mars Entry, Descent, and Landing

Landing humans on Mars comes with many challenges, including the execution of a safe and precise entry, descent, and landing (EDL) sequence. Various NASA studies have shown that there are a variety of EDL guidance methods that potentially offer solutions to the human-scale EDL precision landing problem and work is ongoing to assess new and novel methods. As part of these ongoing studies, a dual-quaternion-based six degree-of-freedom guidance algorithm was implemented in the Program to Optimize Simulated Trajectories II (POST2), a NASA-and industry-standard spacecraft trajectory and vehicle design tool. This algorithm considers both translational and rotational dynamics and casts the trajectory optimization problem as a quadratically constrained quadratic program (QCQP) with various constraints at discrete nodes throughout the trajectory. The QCQP problem is solved via an alternating direction method of multipliers (ADMM) approach, and the output is a discretized optimal trajectory. The guidance is applied to a NASA reference human-scale Mars EDL system, and results are compared and discussed.

Optimization↗

Guidance and flight control law development for hypersonic vehicles

During the third reporting period our efforts were focused on a reformulation of the optimal control problem involving active state-variable inequality constraints. In the reformulated problem the optimization is carried out not with respect to all controllers, but only with respect to asymptotic controllers leading to the state constraint boundary. Intimately connected with the traditional formulation is the fact that when the reduced solution for such problems lies on a state constraint boundary, the corresponding boundary layer transitions are of finite time in the stretched time scale. Thus, it has been impossible so far to apply the classical asymptotic boundary layer theory to such problems. Moreover, the traditional formulation leads to optimal controllers that are one-sided, that is, they break down when a disturbance throws the system on the prohibited side of the state constraint boundary.

Calise, A. J.↗

Capacitated p -hub approach for park-and-ride facility location problem under nested logit demand function: polyhedral approaches

By generalizing the unconstrained p-hub approach for the park-and-ride (P&R) facility location problem under the multinomial logit demand function, the capacitated p-hub approach for the problem under the nested logit demand function captures a broader range of real-world cases. To solve this problem optimally, we introduce a mixed-integer linear program and accelerate its solution by enhancing the branch-and-cut procedure. To address the problem at a large scale, we introduce two other polyhedral approaches: variable neighborhood search (VNS) and adaptive randomized rounding (ARR). Downtown areas in Seoul have a high modal share of public transportation and congested road traffic, yet P&R has not been widely implemented. Therefore, we apply the ARR procedure to solve a real-world problem using traffic and geographic data from the Seoul metropolitan area. ARR performs better than VNS and addresses real-world cases. The solutions obtained by ARR present a phased expansion plan that encourages policymakers to start installing a small number of P&Rs immediately.

Capacitated p-hub approach↗

Communication Lower Bounds and Optimal Algorithms for Symmetric Matrix Computations

In this article, we focus on the communication costs of three symmetric matrix computations: (i) multiplying a matrix with its transpose, known as a symmetric rank-k update (SYRK) (ii) adding the result of the multiplication of a matrix with the transpose of another matrix and the transpose of that result, known as a symmetric rank-2k update (SYR2K) (iii) performing matrix multiplication with a symmetric input matrix (SYMM). All three computations appear in the Level 3 Basic Linear Algebra Subroutines (BLAS) and have wide use in applications involving symmetric matrices. We establish communication lower bounds for these kernels using sequential and distributed-memory parallel computational models, and we show that our bounds are tight by presenting communication-optimal algorithms for each setting. Our lower bound proofs rely on applying a geometric inequality for symmetric computations and analytically solving constrained nonlinear optimization problems. As a result, the symmetric matrix and its corresponding computations are accessed and performed according to a triangular block partitioning scheme in the optimal algorithms.

Al Daas, Hussam [Rutherford Appleton Laboratory, D↗

Investigation on the use of optimization techniques for helicopter airframe vibrations design studies

Results of the investigation of formal nonlinear programming-based numerical optimization techniques of helicopter airframe vibration reduction are summarized. The objective and constraint function and the sensitivity expressions used in the formulation of airframe vibration optimization problems are presented and discussed. Implementation of a new computational procedure based on MSC/NASTRAN and CONMIN in a computer program system called DYNOPT for optimizing airframes subject to strength, frequency, dynamic response, and dynamic stress constraints is described. An optimization methodology is proposed which is thought to provide a new way of applying formal optimization techniques during the various phases of the airframe design process. Numerical results obtained from the application of the DYNOPT optimization code to a helicopter airframe are discussed.

Sreekanta Murthy, T.↗

Mathematical Model of a Regenerative Fuel Cell for System Optimization

This thesis developed a system-level optimization model of a regenerative fuel cell (RFC) system for long-duration, off-world energy storage applications. Prior RFC design studies have typically been limited to reduced parameter sets and simplified constraints due to computational limitations relative to the number of relevant degrees of freedom. As a result, important nonlinear interactions between subsystems have not been fully captured. This work began to address that gap by developing a higher-fidelity, nonlinear optimization framework that incorporates a broader set of design variables and coupled constraints, enabling a multidimensional model that captures the coupled behavior of RFC subsystems and demonstrates the feasibility of applying optimization to such systems. An expanded system-level optimization approach was established that captures interactions between electrochemical performance, structural requirements, and storage design. This enabled a more comprehensive evaluation of trade-offs than conventional formulations. The model integrates four coupled subsystems: a fuel cell, an electrolyzer, reactant gas, and high-pressure storage tanks, and was formulated to accommodate a wide range of mission parameters, including operational time and required output power. It incorporates constraints on available solar array power, reactant mass balance between production and consumption, and pressure-dependent storage requirements. To enable reliable convergence, the optimization problem was reformulated to reduce dimensionality and improve numerical stability, with subsystem models organized for efficient evaluation. Problem dimensionality was reduced by consolidating lower-level design variables into higher-level representative quantities, and subsystem behavior was evaluated within the optimization loop. A multi-start initialization strategy was employed to mitigate sensitivity to local minima and improve solution quality, while nonlinear relationships were solved using robust numerical methods. The results showed that convergence was achieved across a range of required output power values. Specific energy reached a maximum at a critical mission power level, where the electrolyzer power matched the available solar input and operated near its voltage and current density limits. Beyond this point, further increases in required power resulted in less mass-efficient operation, increasing total system mass and reducing overall performance. The developed model represents an advancement in RFC system-level optimization by enabling analysis of a broader and more tightly coupled design space than previous considerations. While convergence behavior and computational cost remain challenges, the methods introduced improve solvability and allow inclusion of additional design variables with minimal loss of physical fidelity. However, the numerical results should not be interpreted as definitive design recommendations, as the model includes simplifying assumptions and omits several higher-order effects. Future work should extend this framework by incorporating additional subsystems and loss mechanisms, such as thermal management, parasitic power consumption, and reactant losses, to improve fidelity and ensure more representative design conclusions.

Electrochemistry↗

Genetic Evolution of Shape-Altering Programs for Supersonic Aerodynamics

Two constrained shape optimization problems relevant to aerodynamics are solved by genetic programming, in which a population of computer programs evolves automatically under pressure of fitness-driven reproduction and genetic crossover. Known optimal solutions are recovered using a small, naive set of elementary operations. Effectiveness is improved through use of automatically defined functions, especially when one of them is capable of a variable number of iterations, even though the test problems lack obvious exploitable regularities. An attempt at evolving new elementary operations was only partially successful.

Kennelly, Robert A., Jr.↗

Computationally Efficient Motion Planning Algorithms for Agile Autonomous Vehicles in Cluttered Environments

Fast, real-time motion planning of an agile, autonomous vehicle in a cluttered environment, with many geometrically-fixed obstacles, is a very complex problem, especially because of the vehicle dynamics constraints and resource constrained computational capabilities onboard the vehicle. In this paper, we present computationally-efficient versions of our novel motion planning algorithm called the Spherical Expansion and Sequential Convex Programming (SE–SCP) algorithm. The SE–SCP algorithm first uses a spherical-expansion-based randomized sampling algorithm to explore the workspace. Oncea path is found from the start position to the goal position, the algorithm computes a locally optimal trajectory, within its homotopy class for a desired cost function, by solving a sequence of convex optimization problems. Thus, the SE–SCP algorithm is anytime locally optimal and the trajectory is globally optimal if the number of samples tends to infinity. In this paper, we further enhance the computational efficiency of the SE–SCP algorithm using uni-directional and bi-directional rewiring techniques. We also present a detailed proof of the local optimality characteristics of the new SE–SCP algorithms for aspecial case of vehicle dynamics. Simulation examples involving quadrotor and spacecraft help demonstrate the effectiveness of our new algorithms.

Bandyopadhyay, Saptarshi↗

The computation of optimal control programmes using a modified successive sweep method.

A second-order method for numerically solving control optimization problems has been developed. The method, referred to as the modified sweep method (MSM), differs from the successive sweep method (SSM) proposed by McReynolds and Bryson (1965) in that the conditions for local control optimality are used to determine the control as an explicit function of the state variables and time. The control is eliminated from the problem and the solution to the resulting two-point boundary value problem can be obtained by linear perturbation methods. The modified sweep method proposed here uncouples the perturbation equations for the state variables and the Lagrange multipliers by using a generalized matrix-Riccati transformation of variables. The resulting algorithm for the numerical iteration process is concerned with determining the initial values of a set of Lagrange multipliers rather than correcting a numerical control programme over the entire time interval of interest.

Colunga, D.↗

Q-OPT:Quantum Optimization Toolkit

SF-2025-003 Quantum computing has the potential to solve classical optimization problems. To bring these algorithms into practical use, a comprehensive, high-performance and user-friendly toolkit is essential. The Q-OPT: Quantum Optimization Toolkit is a collection of software tools designed to support complete end-to-end framework for quantum optimization.

Hovland, Paul [Argonne National Laboratory (ANL), ↗

Constrained optimization using design of experiment surfaces

An algorithm for solving constrained optimization problems is presented. First, design of experiment techniques are used to survey the design space. After evaluating the objective and constraint functions, as specified by Taguchi orthogonal arrays, analytical models of these functions are generated using a least-squares regression analysis. Next, a nonlinear programming package is used to optimize the analytical model. Based on the optimization information, the design space is reduced so as to close in around the minimum, and the entire procedure is repeated until convergence. An important feature of the algorithm is that function gradients are not required; therefore, for problems in which gradients would have to be estimated using finite-differences the number of function evaluations required for the optimization is significantly reduced, when compared with traditional nonlinear programming techniques. In addition, there is no requirement that the gradients must be smooth and continuous.

Bolt, Marvin Vance↗