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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 343 records · Page 19

Multiplexed photoinjector optimization for high-repetition-rate free-electron lasers

The multiplexing capabilities of superconducting X-ray free-electron lasers (FELs) have gained much attention in recent years. The demanding requirements for photon properties from multiple undulator lines necessitate more flexible beam manipulation techniques to achieve the goal of “beam on demand”. In this paper, we investigate a multiplexed configuration for the photoinjector of high-repetition-rate FELs that aims to simultaneously provide low-emittance electron beams of different charges. A parallel, multi-objective genetic algorithm is implemented for the photoinjector parameter optimization. The proposed configuration could drastically enhance the flexibility of beam manipulation to improve multiplexing capabilities and realize the full potential of the facility.

47 OTHER INSTRUMENTATION↗

Nuclear Electric Vehicle Optimization Toolset (NEVOT): Integrated System Design Using Genetic Algorithms

The Nuclear Electric Vehicle Optimization Toolset (NEVOT) optimizes the design of all major Nuclear Electric Propulsion (NEP) vehicle subsystems for a defined mission within constraints and optimization parameters chosen by a user. The tool uses a Genetic Algorithm (GA) search technique to combine subsystem designs and evaluate the fitness of the integrated design to fulfill a mission. The fitness of an individual is used within the GA to determine its probability of survival through successive generations in which the designs with low fitness are eliminated and replaced with combinations or mutations of designs with higher fitness. The program can find optimal solutions for different sets of fitness metrics without modification and can create and evaluate vehicle designs that might never be conceived of through traditional design techniques. It is anticipated that the flexible optimization methodology will expand present knowledge of the design trade-offs inherent in designing nuclear powered space vehicles and lead to improved NEP designs.

Tinker, Michael L.↗

Nuclear Electric Vehicle Optimization Toolset (NEVOT)

The Nuclear Electric Vehicle Optimization Toolset (NEVOT) optimizes the design of all major nuclear electric propulsion (NEP) vehicle subsystems for a defined mission within constraints and optimization parameters chosen by a user. The tool uses a genetic algorithm (GA) search technique to combine subsystem designs and evaluate the fitness of the integrated design to fulfill a mission. The fitness of an individual is used within the GA to determine its probability of survival through successive generations in which the designs with low fitness are eliminated and replaced with combinations or mutations of designs with higher fitness. The program can find optimal solutions for different sets of fitness metrics without modification and can create and evaluate vehicle designs that might never be considered through traditional design techniques. It is anticipated that the flexible optimization methodology will expand present knowledge of the design trade-offs inherent in designing nuclear powered space vehicles and lead to improved NEP designs.

Tinker, Michael L.↗

Electronic structure with direct diagonalization on a D-wave quantum annealer

Quantum chemistry is regarded to be one of the first disciplines that will be revolutionized by quantum computing. Although universal quantum computers of practical scale may be years away, various approaches are currently being pursued to solve quantum chemistry problems on near-term gate-based quantum computers and quantum annealers by developing the appropriate algorithm and software base. This work implements the general Quantum Annealer Eigensolver (QAE) algorithm to solve the molecular electronic Hamiltonian eigenvalue-eigenvector problem on a D-Wave 2000Q quantum annealer. The approach is based on the matrix formulation, efficiently uses qubit resources based on a power-of-two encoding scheme and is hardware-dominant relying on only one classically optimized parameter. We demonstrate the use of D-Wave hardware for obtaining ground and excited electronic states across a variety of small molecular systems. The approach can be adapted for use by a vast majority of electronic structure methods currently implemented in conventional quantum-chemical packages. The results of this work will encourage further development of software such as qbsolv which has promising applications in emerging quantum information processing hardware and has expectation to address large and complex optimization problems intractable for classical computers.

97 MATHEMATICS AND COMPUTING↗

Application of high-performance computing to numerical simulation of human movement

We have examined the feasibility of using massively-parallel and vector-processing supercomputers to solve large-scale optimization problems for human movement. Specifically, we compared the computational expense of determining the optimal controls for the single support phase of gait using a conventional serial machine (SGI Iris 4D25), a MIMD parallel machine (Intel iPSC/860), and a parallel-vector-processing machine (Cray Y-MP 8/864). With the human body modeled as a 14 degree-of-freedom linkage actuated by 46 musculotendinous units, computation of the optimal controls for gait could take up to 3 months of CPU time on the Iris. Both the Cray and the Intel are able to reduce this time to practical levels. The optimal solution for gait can be found with about 77 hours of CPU on the Cray and with about 88 hours of CPU on the Intel. Although the overall speeds of the Cray and the Intel were found to be similar, the unique capabilities of each machine are better suited to different portions of the computational algorithm used. The Intel was best suited to computing the derivatives of the performance criterion and the constraints whereas the Cray was best suited to parameter optimization of the controls. These results suggest that the ideal computer architecture for solving very large-scale optimal control problems is a hybrid system in which a vector-processing machine is integrated into the communication network of a MIMD parallel machine.

NASA Discipline Musculoskeletal↗

Monolithic Multigrid for a Reduced-Quadrature Discretization of Poroelasticity

Advanced finite-element discretizations and preconditioners for models of poroelasticity have attracted significant attention in recent years. The equations of poroelasticity offer significant challenges in both areas, due to the potentially strong coupling between unknowns in the system, saddle-point structure, and the need to account for wide ranges of parameter values, including limiting behavior such as incompressible elasticity. This paper was motivated by an attempt to develop monolithic multigrid preconditioners for the discretization developed in [C. Rodrigo et al., Comput. Methods App. Mech. Engrg, 341 (2018), pp. 467--484]; we show here why this is a difficult task and, as a result, we modify the discretization in [Rodrigo et al.] through the use of a reduced-quadrature approximation, yielding a more “solver-friendly” discretization. Local Fourier analysis is used to optimize parameters in the resulting monolithic multigrid method, allowing a fair comparison between the performance and costs of methods based on Vanka and Braess--Sarazin relaxation. Further, numerical results are presented to validate the local Fourier analysis predictions and demonstrate efficiency of the algorithms. Finally, a comparison to existing block-factorization preconditioners is also given.

97 MATHEMATICS AND COMPUTING↗

Transient analysis of an adaptive system for optimization of design parameters

Averaging methods are applied to analyzing and optimizing the transient response associated with the direct adaptive control of an oscillatory second-order minimum-phase system. The analytical design methods developed for a second-order plant can be applied with some approximation to a MIMO flexible structure having a single dominant mode.

Bayard, D. S.↗

Algorithms for Maneuvering Spacecraft Around Small Bodies

A document describes mathematical derivations and applications of autonomous guidance algorithms for maneuvering spacecraft in the vicinities of small astronomical bodies like comets or asteroids. These algorithms compute fuel- or energy-optimal trajectories for typical maneuvers by solving the associated optimal-control problems with relevant control and state constraints. In the derivations, these problems are converted from their original continuous (infinite-dimensional) forms to finite-dimensional forms through (1) discretization of the time axis and (2) spectral discretization of control inputs via a finite number of Chebyshev basis functions. In these doubly discretized problems, the Chebyshev coefficients are the variables. These problems are, variously, either convex programming problems or programming problems that can be convexified. The resulting discrete problems are convex parameter-optimization problems; this is desirable because one can take advantage of very efficient and robust algorithms that have been developed previously and are well established for solving such problems. These algorithms are fast, do not require initial guesses, and always converge to global optima. Following the derivations, the algorithms are demonstrated by applying them to numerical examples of flyby, descent-to-hover, and ascent-from-hover maneuvers.

Acikmese, A. Bechet↗

A Laboratory Assessment and Optimization of Nanoparticle-Stabilized CO2 Foams for Hydraulic Fracturing Applications

In this research, we have conducted a comprehensive assessment and optimization of aqueous CO2 foams for fracturing applications. The performance of CO2 foams is evaluated using three major matrices: foam stability, foam apparent viscosity, and leakoff. The response of these performance matrices to different internal factors and external conditions is evaluated. These factors and conditions include foam quality, nanoparticle concentration, salinity, shear rate, surfactant type and concentration, polymer concentration, and temperature. Before foam generation, the colloidal stability of the nanosilica dispersion is evaluated at different types of electrolytes and under high temperatures. With a good salinity resistance and thermal stability, the nanosilica is then used for the entire set of foam generation experiments. The foam configuration with optimized parameters is used for the leakoff test, which serves as a supplementary section to further demonstrate the advantages of the proposed foam system. Then the final commercialization section provides a general view of what should be considered to commercialize the research results. In general, it is found that the aqueous CO2 foam system has demonstrated a good potential to be used as a fracturing fluid. The design of the foam system needs to consider formations properties and formation fluid properties etc. to realize the optimal performance of the system on a laboratory scale.

02 PETROLEUM↗

Optimization performance, fidelity, and cost: SIAM VQE

This dataset contains files storing results from classically-simulated quantum subroutines within a dynamical mean-field theory workflow, and jupyter notebooks processing the data in these files to generate plots. The files store: (1) Results from variational quantum eigensolver (VQE) simulations searching for optimal parameters allowing parametrized quantum circuits to prepare approximations to ground states of different Anderson impurity models (AIMs) (2) Results from simulations of a quantum Lanczos algorithm (QLA) estimating the Lanczos coefficients defining the continued-fraction representation of an (AIM) Green’s function Description: Any file named vqe_gs_results* stores approximations to the ground state and energy of a given AIM estimated using three different methods: (1) Numerical diagonalization (2) Ideal VQE simulation (3) VQE simulation with sampling noise For each VQE simulations metadata about the optimization (optimization results plus number of quantum circuits that would have been executed on real hardware) is also stored. Any file named qla_dos_results* estimations for the Lanczos coefficients defining the Green’s function of an AIM. The stored estimations are achieved using different methods: (1) Numerical Lanczos algorithm from initial states obtained from numerical diagonalization (2) Simulated quantum Lanczos algorithm from initial states prepared from parametrized quantum circuits yielded by corresponding ideal and noisy VQE subroutines. The dataset is used and described in M. Karabin et al., "Quantum solver for single-impurity Anderson models with particle-hole symmetry", Phys. Rev. Research 8, 033066 (2026). DOI: https://doi.org/10.1103/7ys3-tl4l

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Utilizing Environmental Tracers to Reduce Groundwater Flow and Transport Model Parameter Uncertainties

Abstract Non‐uniqueness in groundwater model calibration is a primary source of uncertainty in groundwater flow and transport predictions. In this study, we investigate the ability of environmental tracer information to constrain groundwater model parameters. We utilize a pilot point calibration procedure conditioned to subsets of observed data including: liquid pressures, tritium ( 3 H), chlorofluorocarbon‐12 (CFC‐12), and sulfur hexafluoride (SF 6 ) concentrations; and groundwater apparent ages inferred from these environmental tracers, to quantify uncertainties in the heterogeneous permeability fields and infiltration rates of a steady‐state 2‐D synthetic aquifer and a transient 3‐D model of a field site located near Riverton, Wyoming (USA). To identify the relative data worth of each observation data type, the post‐calibration uncertainties of the optimal parameters for a given observation subset are compared to that from the full observation data set. Our results suggest that the calibration‐constrained permeability field uncertainties are largest when liquid pressures are used as the sole calibration data set. We find significant reduction in permeability uncertainty and increased predictive accuracy when the environmental tracer concentrations, rather than apparent groundwater ages, are used as calibration targets in the synthetic model. Calibration of the Riverton field site model using environmental tracer concentrations directly produces infiltration rate estimates with the lowest uncertainties, however; permeability field uncertainties remain similar between the environmental tracer concentration and apparent groundwater age calibration scenarios. This work provides insight on the data worth of environmental tracer information to calibrate groundwater models and highlights potential benefits of directly assimilating environmental tracer concentrations into model parameter estimation procedures.

54 ENVIRONMENTAL SCIENCES↗

A random search algorithm for laboratory computers

The small laboratory computer is ideal for experimental control and data acquisition. Postexperimental data processing is often performed on large computers because of the availability of sophisticated programs, but costs and data compatibility are negative factors. Parameter optimization can be accomplished on the small computer, offering ease of programming, data compatibility, and low cost. A previously proposed random-search algorithm ('random creep') was found to be very slow in convergence. A method is proposed (the 'random leap' algorithm) which starts in a global search mode and automatically adjusts step size to speed convergence. A FORTRAN executive program for the random-leap algorithm is presented which calls a user-supplied function subroutine. An example of a function subroutine is given which calculates maximum-likelihood estimates of receiver operating-characteristic parameters from binary response data. Other applications in parameter estimation, generalized least squares, and matrix inversion are discussed.

Curry, R. E.↗

Multi-sensor analysis techniques for SSME safety monitoring

Two algorithms were developed which utilized multi-sensor analysis techniques to complement the current Space Shuttle Main Engine (SSME) safety monitoring system. The first algorithm analyzed the accumulative error between actual and predicted values of the engine parameter set, while the second algorithm combined these error terms into a response pattern and correlated each pattern with a standard pattern. These algorithms were applied to twelve SSME anomalous test firings and were found to produce improved failure detection times in eight of those twelve compared to the current engine safety monitoring system. Of the eight detected anomalous test firings, the first algorithm detected all eight, while the second algorithm detected seven of the eight. No false alarms were indicated by either algorithm for twelve nominal test firings. An initial parametric study of these algorithms for optimized parameter selection is presented and algorithm robustness to sensor failure is demonstrated.

Maul, William A., III↗

Automatic parameter selection for electron ptychography via Bayesian optimization

Abstract Electron ptychography provides new opportunities to resolve atomic structures with deep sub-angstrom spatial resolution and to study electron-beam sensitive materials with high dose efficiency. In practice, obtaining accurate ptychography images requires simultaneously optimizing multiple parameters that are often selected based on trial-and-error, resulting in low-throughput experiments and preventing wider adoption. Here, we develop an automatic parameter selection framework to circumvent this problem using Bayesian optimization with Gaussian processes. With minimal prior knowledge, the workflow efficiently produces ptychographic reconstructions that are superior to those processed by experienced experts. The method also facilitates better experimental designs by exploring optimized experimental parameters from simulated data.

42 ENGINEERING↗

Feature Extraction for Pipeline Defects Inspection Based Upon Distributed Acoustic Fiber Optic Sensing Data

Fiber-optic distributed acoustic sensing (DAS) is becoming an increasingly important tool for real-time monitoring of energy and civil infrastructure structural health such as pipelines. We present a systematic theoretical study of the potential for DAS to be directly coupled with guided ultrasonic waves typically used in conventional acoustic non-destructive evaluation (NDE) methods for real-time pipeline health monitoring. We are referring to this innovative new NDE technique as ultrasonic guided wave and optical fiber sensor fusion. In the practical application of DAS coupled with guided ultrasonic waves, the structural design of (1) the specific guided waves excited, (2) the physical installation of the acoustic transducers and the fiber optic sensors, and (3) the functional performance specifications (gauge length, sensitivity, Etc.) of fiber optic DAS have an important influence on overall capabilities of the monitoring system. Meanwhile, physics-based analysis of acoustic waves is still a challenge due to the complex nature of the Lamb wave when it propagates, scatters, and disperses in the presence of structural defects. In this work, we simulate carbon steel pipes relevant for oil and gas pipeline applications with diameters of approximately 6-12” and wall thickness of 0.5” as the objects to be monitored. By establishing and implementing these capabilities, we seek to pursue an in-depth study on structural parameter optimization of DAS network, measurement range, and signal processing with an ultimate goal of increasing the sensitivity and efficacy of DAS to defect identification for various modes of corrosion expected in practice. To study the characteristics of scattered acoustic waves and performance of DAS for defect identification, we simulated the response of DAS for multiple pipe structures, defect types, and DAS sensor network configuration using finite element software Ansys, then the properties of signal response are extracted to construct defect-sensitive features. The raw data simulated, and the associated features extracted can ultimately be utilized as annotated training data to benchmark various designs for DAS applications, guided acoustic excitation sources, and learning model parameters to enhance early detection of potentially problematic defects.

Pipeline Defects Inspection, Fiber-optic sensors, ↗

Energy-Optimized Path Planning for Uas in Varying Winds Via Reinforcement Learning

In this paper we propose a reinforcement learning (RL) algorithm for path planning of Unmanned Aviation Vehicles (UAVs) under varying wind conditions. Solutions to UAV path planning problems are becoming increasingly necessary as autonomous UAVs continue to enter commercial and government spaces. Path-planning is inherently challenging, as UAVs need to account for dynamically changing flying conditions such as weather, obstacle or no-fly zones, degraded vehicle health, and off-nominal battery power consumption. Machine learning methods such as reinforcement learning (RL) have the potential to revolutionize how vehicles navigate in such uncertain environments. In this study, we compute UAV trajectories from a pre-determined starting position to a target cell within a 7X7 grid environment by optimizing parameters for mission assurance and safety limits in addition to the energy consumption and operation time. The UAV navigates the grid by taking actions to move in any of the eight cardinal and inter-cardinal directions, under constant thrust profile. The resultant UAV state is sampled from a probability distribution which accounts for the UAV’s action, local wind velocity, and the presence of obstacles or boundaries. As the unmanned airspace gets more complex due to multiple vehicles and environmental uncertainties, trade-offs between energy consumption, operation time, risk tolerance, and mission assurance need to be made. Our Markov Decision Process (MDP) environment model can capture any combination of these in the optimization objective, making it novel compared to other work in the field.

trajectory planning↗

MOOSE ProbML: Parallelized probabilistic machine learning and uncertainty quantification for computational energy applications

Here, this paper presents the development and demonstration of massively parallel probabilistic machine learning (ML) and uncertainty quantification (UQ) capabilities within the Multiphysics Object-Oriented Simulation Environment (MOOSE), an open-source computational platform for parallel finite element and finite volume analyses. In addressing the computational expense and uncertainties inherent in complex multiphysics simulations, this paper integrates Gaussian process (GP) variants, active learning, Bayesian inverse UQ, adaptive forward UQ, Bayesian optimization, evolutionary optimization, and Markov chain Monte Carlo (MCMC) within MOOSE. It also elaborates on the interaction among key MOOSE systems — Sampler, MultiApp, Reporter, and Surrogate — in enabling these capabilities. The modularity offered by these systems enables development of a multitude of probabilistic ML and UQ algorithms in MOOSE. Example code demonstrations include parallel active learning and parallel Bayesian inference via active learning. The impact of these developments is illustrated through five applications relevant to computational energy applications: UQ of nuclear fuel fission product release, using parallel active learning Bayesian inference; very rare events analysis in nuclear microreactors using active learning; advanced manufacturing process modeling using multi-output GPs (MOGPs) and dimensionality reduction; fluid flow using deep GPs (DGPs); and tritium transport model parameter optimization for fusion energy, using batch Bayesian optimization. These capabilities are part of the MOOSE framework.

97 - MATHEMATICS AND COMPUTING↗

GPU-resident sparse direct linear solvers for alternating current optimal power flow analysis

Integrating renewable resources within the transmission grid at a wide scale poses significant challenges for economic dispatch as it requires analysis with more optimization parameters, constraints, and sources of uncertainty. This motivates the investigation of more efficient computational methods, especially those for solving the underlying linear systems, which typically take more than half of the overall computation time. In this paper, we present our work on sparse linear solvers that take advantage of hardware accelerators, such as graphical processing units (GPUs), and improve the overall performance when used within economic dispatch computations. We treat the problems as sparse, which allows for faster execution but also makes the implementation of numerical methods more challenging. We present the first GPU-native sparse direct solver that can execute on both AMD and NVIDIA GPUs. We demonstrate significant performance improvements when using high-performance linear solvers within alternating current optimal power flow (ACOPF) analysis. Furthermore, we demonstrate the feasibility of getting significant performance improvements by executing the entire computation on GPU-based hardware. Finally, we identify outstanding research issues and opportunities for even better utilization of heterogeneous systems, including those equipped with GPUs.

24 POWER TRANSMISSION AND DISTRIBUTION↗