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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 379 records · Page 21

Improved Evaluation of Large Network Matrices for Linear Power Flow Within Optimization Problems

This work presents methods for evaluating the Power Transfer Distribution Factor (PTDF) and Line Outage Distribution Factor (LODF) matrices by employing sparse linear algebra for large-scale computing applications. These matrices play a critical role in many power system applications, such as the Unit Commitment Problem (UC), pre- and post-contingency power flow analysis, and transmission expansion. These matrices are typically dense, which means they require a significant amount of time and memory to be computed for large networks. However, by analyzing the structure of the matrices and their computation method, it is possible to use reduced memory methods based on sparse matrix operations. This paper shows that sparse linear algebra algorithms are faster and require less memory and time than traditional dense approaches. Additionally, we explore the effect of matrix sparsification by eliminating trailing digits on power flow calculations.

large scale↗

Application of quadratic optimization to supersonic inlet control

The application of linear stochastic optimal control theory to the design of the control system for the air intake (inlet) of a supersonic air-breathing propulsion system is discussed. The controls must maintain a stable inlet shock position in the presence of random airflow disturbances and prevent inlet unstart. Two different linear time invariant control systems are developed. One is designed to minimize a nonquadratic index, the expected frequency of inlet unstart, and the other is designed to minimize the mean square value of inlet shock motion. The quadratic equivalence principle is used to obtain the best linear controller that minimizes the nonquadratic performance index. The two systems are compared on the basis of unstart prevention, control effort requirements, and sensitivity to parameter variations.

Lehtinen, B.↗

Improved Evaluation of Large Network Matrices for Linear Power Flow Within Optimization Problems: Preprint

This work discusses methods for evaluating the Power Transfer Distribution Factor (PTDF) and Line Outage Distribution Factor (LODF) matrices by employing sparse linear algebra for large-scale computing applications. These matrices are critical in many power systems applications, such as the Unit Commitment Problem (UC), pre- and post-contingency power flow analysis, and transmission expansion. These matrices are typically dense, which means they require a significant amount of time and memory to be computed for large networks. However, by analyzing the structure of the matrices and their computation method, it is possible to use reduced memory methods based on sparse matrix operations. This paper shows that sparse linear algebra algorithms are faster and require less memory and time than traditional dense approaches. Additionally, we explore the effect of matrix sparsification by eliminating trailing digits on power flow calculations.

ENERGY PLANNING, POLICY, AND ECONOMY↗

Data-Driven Discovery of Linear Molecular Probes with Optimal Selective Affinity for PFAS in Water

Approaches to tackle the wide and growing variety of highly persistent per- and polyfluoroalkyl substances (PFAS) are of pressing global need because of their detrimental human health effects, such as cancer, birth defects, and hormone imbalance. Sensitive, selective, and easy-to-use real-time sensors to monitor and detect PFAS and sorbents to extract them are critical to meeting government-mandated environmental concentrations. In this work, we combine all-atom molecular dynamics simulations, enhanced sampling, deep representational learning, and Bayesian optimization to perform high-throughput virtual screening for highly sensitive and selective molecular probes. Our molecular design space consists of 3850 linear hydrocarbon chains with varying degrees of halogenation with and without amine- and phosphine-based headgroups. By employing a data-driven search process, we efficiently explore the molecular design space to optimize the sensitivity to perfluorooctanesulfonic acid (PFOS) as a prototypical PFAS analyte and selectivity relative to a sodium dodecyl sulfate (SDS) interferent. We calculate 504 Gibbs free energies of probe-analyte and probe-interferent interactions and identify probes with PFOS association free energies of up to (-ΔG PFOS ) = 9.8 ± 0.2 kJ/mol and selectivities relative to SDS of (-ΔΔG PFOS–SDS ) = 3.1 ± 1.5 kJ/mol. A C 11 Br 23 P(CH 3 ) 2 probe containing 11 backbone brominated carbons and a tertiary phosphine headgroup possesses the most sensitive binding constant to PFOS within the defined search space of K b PFOS = 177.4 ± 12.7, and a semibrominated probe C 5 H 11 C 7 Br 14 N(CH 3 ) 2 containing 12 backbone carbons and a tertiary amine headgroup possesses the highest selectivity relative to SDS of K b PFOS /K b SDS = 4.6 ± 1.7. A retrospective analysis of our data to extract interpretable design rules reveals that the sensitivity of linear hydrogenated probes increases by approximately 1 kJ/mol per C–C bond. The addition or removal of halogen atoms and amine or phosphine headgroups produces nonmonotonic changes in both sensitivity and selectivity with changes to the sensitivity of up to 2.5 kJ/mol. Finally, this work places empirical limitations on the performance of a wide range of linear probes for PFOS detection and offers a generic strategy for high-throughput computational screening to promote selective and sensitive binding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sequential design of discrete linear quadratic regulators via optimal root-locus techniques

A sequential method employing classical root-locus techniques has been developed in order to determine the quadratic weighting matrices and discrete linear quadratic regulators of multivariable control systems. At each recursive step, an intermediate unity rank state-weighting matrix that contains some invariant eigenvectors of that open-loop matrix is assigned, and an intermediate characteristic equation of the closed-loop system containing the invariant eigenvalues is created.

Shieh, Leang S.↗

Neighboring optimal guidance theory and computer program

Developments of the linear quadratic optimal control problem are discussed. The theory is applicable to the development of neighboring optimal feedback guidance gains, and is useful as a tool for synthesizing feedback control laws. A computer program which requires only the pertinent matrices of the linear quadratic problem is described.

Powers, W. F.↗

Enabling Efficient Sparse Computations using Linear Algebra Aware Compilers

This project developed the LAPIS compiler framework, built on the Multilevel Intermediate Representation (MLIR), to optimize sparse linear algebra operations and support performance portability across diverse architectures. The main innovation of LAPIS is the Kokkos dialect, which allows for lowering codes from a high productivity language to different architectures in an elegant way. The dialect also allows the conversion of lower-level MLIR code to C++ Kokkos code, facilitating the integration of scientific machine learning (SciML) models into applications. To extend LAPIS for distributed memory architectures, a new partition dialect was created to manage the distribution of sparse tensors and express communication patterns for sparse linear algebra operations. This dialect also supports the distributed execution of operators and includes algorithmic optimizations to minimize communication to improve performance. The project also demonstrates that MLIR can enable effective linear algebra-level optimizations, improving performance on different GPUs for both sparse and dense linear algebra kernels. Key applications of LAPIS include sparse linear algebra and graph kernels, TenSQL, a relational database management solution built on GraphBLAS, and the development of subgraph isomorphism and monomorphism kernels, showcasing performance portability. In summary, the LAPIS framework supports productivity, performance, portability, and distributed memory execution, while also enabling linear algebra-level optimizations that are challenging in traditional programming languages, with successful applications ranging from simple sparse linear algebra to complex graph kernels.

97 MATHEMATICS AND COMPUTING↗

On the determination of optimal costly measurement strategies for linear stochastic systems.

This paper presents the formulation of a class of optimization problems dealing with selecting, at each instant of time, one measurement provided by one out of many sensors. Each measurement has an associated measurement cost. The basic problem is then to select an optimal measurement policy, during a specified observation time interval, so that a weighted combination of prediction accuracy and accumulated observation cost is optimized. The current analysis is limited to the class of linear stochastic dynamic systems and measurement subsystems. The problem of selecting the optimal measurement strategy can be transformed into a deterministic optimal control problem. It is shown that the optimal measurement policy and the associated matched Kalman-type filter can be precomputed.

Athans, M.↗

Gain optimization with non-linear controls

An algorithm has been developed for the analysis and design of controls for non-linear systems. The technical approach is to use statistical linearization to model the non-linear dynamics of a system by a quasi-Gaussian model. A covariance analysis is performed to determine the behavior of the dynamical system and a quadratic cost function. Expressions for the cost function and its derivatives are determined so that numerical optimization techniques can be applied to determine optimal feedback laws. The primary application for this paper is centered about the design of controls for nominally linear systems but where the controls are saturated or limited by fixed constraints. The analysis is general, however, and numerical computation requires only that the specific non-linearity be considered in the analysis.

Slater, G. L.↗

PSC algorithm description

An overview of the performance seeking control (PSC) algorithm and details of the important components of the algorithm are given. The onboard propulsion system models, the linear programming optimization, and engine control interface are described. The PSC algorithm receives input from various computers on the aircraft including the digital flight computer, digital engine control, and electronic inlet control. The PSC algorithm contains compact models of the propulsion system including the inlet, engine, and nozzle. The models compute propulsion system parameters, such as inlet drag and fan stall margin, which are not directly measurable in flight. The compact models also compute sensitivities of the propulsion system parameters to change in control variables. The engine model consists of a linear steady state variable model (SSVM) and a nonlinear model. The SSVM is updated with efficiency factors calculated in the engine model update logic, or Kalman filter. The efficiency factors are used to adjust the SSVM to match the actual engine. The propulsion system models are mathematically integrated to form an overall propulsion system model. The propulsion system model is then optimized using a linear programming optimization scheme. The goal of the optimization is determined from the selected PSC mode of operation. The resulting trims are used to compute a new operating point about which the optimization process is repeated. This process is continued until an overall (global) optimum is reached before applying the trims to the controllers.

Nobbs, Steven G.↗

Strong convergence and convergence rates of approximating solutions for algebraic Riccati equations in Hilbert spaces

The linear quadratic optimal control problem on infinite time interval for linear time-invariant systems defined on Hilbert spaces is considered. The optimal control is given by a feedback form in terms of solution pi to the associated algebraic Riccati equation (ARE). A Ritz type approximation is used to obtain a sequence pi sup N of finite dimensional approximations of the solution to ARE. A sufficient condition that shows pi sup N converges strongly to pi is obtained. Under this condition, a formula is derived which can be used to obtain a rate of convergence of pi sup N to pi. The results of the Galerkin approximation is demonstrated and applied for parabolic systems and the averaging approximation for hereditary differential systems.

Ito, Kazufumi↗

Model-following control for an oblique-wing aircraft

A variable-skew oblique wing offers a substantial aerodynamic performance advantage for aircraft missions that require both high efficiency in subsonic flight and supersonic dash or cruise. The most obvious characteristic of the oblique-wing concept is the asymmetry associated with wing-skew angle which results in significant aerodynamic and inertial cross-coupling between the aircraft longitudinal and lateral-directional axes. A technique for synthesizing a decoupling controller while providing the desired stability augmentation. The proposed synthesis procedure uses the cncept of explicit model following. Linear quadratic optimization techniques are used to design the linear feedback system. The effectiveness of the control laws developed in achieving the desired decoupling is illustrated for a given flight condition by application to linearized equations of motion, and also to the nonlinear equations of six degrees of freedom of motion with nonlinear aerodynamic data.

Alag, G. S.↗

Model-following control for an oblique-wing aircraft

A variable-skew oblique wing offers a substantial aerodynamic performance advantage for aircraft missions that require both high efficiency in subsonic flight and supersonic dash or cruise. The most obvious characteristic of the oblique-wing concept is the asymmetry associated with wing-skew angle which results in significant aerodynamic and inertial cross-coupling between the aircraft longitudinal and lateral-directional axes. This paper presents a technique for synthesizing a decoupling controller while providing the desired stability augmentation. The proposed synthesis procedure uses the concept of explicit model following. Linear quadratic optimization techniques are used to design the linear feedback system. The effectiveness of the control laws developed in achieving the desired decoupling is illustrated for a given flight condition by application to linearized equations of motion, and also to the nonlinear equations of six degrees of freedom of motion with nonlinear aerodynamic data.

Alag, G. S.↗