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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Learning and Fast Adaptation for Grid Emergency Control via Deep Meta Reinforcement Learning

As power systems are undergoing a significant transformation with more uncertainties, less inertia and closer to operation limits, there is increasing risk of large outages. Thus, there is an imperative need to enhance grid emergency control to maintain system reliability and security. Towards this end, great progress has been made in developing deep reinforcement learning (DRL) based grid control solutions in recent years. However, existing DRL-based solutions have two main limitations: 1) they cannot handle well with a wide range of grid operation conditions, system parameters, and contingencies; 2) they generally lack the ability to fast adapt to new grid operation conditions, system parameters, and contingencies, limiting their applicability for real-world applications. Here, in this paper, we mitigate these limitations by developing a novel deep meta-reinforcement learning (DMRL) algorithm. The DMRL combines the meta strategy optimization together with DRL, and trains policies modulated by a latent space that can quickly adapt to new scenarios. We test the developed DMRL algorithm on the IEEE 300-bus system. We demonstrate fast adaptation of the meta-trained DRL polices with latent variables to new operating conditions and scenarios using the proposed method, which achieves superior performance compared to the state-of-the-art DRL and model predictive control (MPC) methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Optimizing radar scan strategies for tracking isolated deep convection using observing system simulation experiments

Abstract. Optimizing radar observation strategies is one of the most important considerations in pre-field campaign periods. This is especially true for isolated convective clouds that typically evolve faster than the observations captured by operational radar networks. This study investigates uncertainties in radar observations of the evolution of the microphysical and dynamical properties of isolated deep convective clouds developing in clean and polluted environments. It aims to optimize the radar observation strategy for deep convection through the use of high-spatiotemporal cloud-resolving model simulations, which resolve the evolution of individual convective cells every 1 min, coupled with a radar simulator and a cell tracking algorithm. The radar simulation settings are based on the Tracking Aerosol Convection Interactions ExpeRiment (TRACER) and Experiment of Sea Breeze Convection, Aerosols, Precipitation and Environment (ESCAPE) field campaigns held in the Houston, TX, area but are generalizable to other field campaigns focusing on isolated deep convection. Our analysis produces the following four outcomes. First, a 5–7 m s−1 median difference in maximum updrafts of tracked cells is shown between the clean and polluted simulations in the early stages of the cloud lifetimes. This demonstrates the importance of obtaining accurate estimates of vertical velocity from observations if aerosol impacts are to be properly resolved. Second, tracking of individual cells and using vertical cross section scanning every minute capture the evolution of precipitation particle number concentration and size represented by polarimetric observables better than the operational radar observations that update the volume scan every 5 min. This approach also improves multi-Doppler radar updraft retrievals above 5 km above ground level for regions with updraft velocities greater than 10 m s−1. Third, we propose an optimized strategy composed of cell tracking by quick (1–2 min) vertical cross section scans from more than one radar in addition to the operational volume scans. We also propose the use of a single-RHI (range height indicator) updraft retrieval technique for cells close to the radars, for which multi-Doppler radar retrievals are still challenging. Finally, increasing the number of deep convective cells sampled by such observations better represents the median maximum updraft evolution with sample sizes of more than 10 deep cells, which decreases the error associated with sampling the true population to less than 3 m s−1.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Catalytic Upgrading of Renewable Feedstock (Final Technical Report)

The goal of this DOE-funded project was to investigate the fundamental science related to the development of homogeneous (de)hydrogenation catalysts in order to enable energy-relevant transformations of bio-relevant chemical feedstocks including ethanol. The primary focus was to improve the activity of ethanol upgrading catalysts, specifically informed through mechanistic studies, in order to enable rational design optimization strategies. Following in depth mechanistic studies, targeted reaction optimization approaches included ligand redesign to improve catalyst stability, developing new carbon-carbon bond forming reactions using ethanol as a precursor, and examining photochemically-mediated reactions, ultimately to integrate within other reactor designs such as continuous flow reactors. The high modularity of the catalyst components (ligands) has enabled the preparation and analyses of multiple catalyst precursors. These studies uncovered an unexpectedly beneficial substitution pattern of the ligand structure that led to the development of new catalysts that are the best in class for upgrading ethanol to butanol with a turnover number of 155,890 and a turnover frequency of 12,690 h –1 . In addition to upgrading ethanol to butanol, cascade reaction sequences were developed to form new C-C bonds using ethanol as a bio-relevant feedstock, providing access to platform chemicals from renewable sources. As part of the reaction discovery process, new mechanistic details were uncovered that provided insights into: a) catalyst speciation, b) decomposition pathways, c) carbon monoxide releasing pathways, and d) carbon-carbon and carbon hydrogen bond breaking pathways. Most of these outcomes were previously not known; however, they provide important directions for new catalyst design strategies. Finally, use of high throughput and in situ photochemical reaction analyses enabled detailed studies into changes to the catalyst structure upon irradiation. Irradiation was found to improve hydrogen transfer catalysis, by promoting a ligand dissociation event.

09 BIOMASS FUELS↗
NASA NTRS1984

ADS: A FORTRAN program for automated design synthesis, version 1.00

A new general-purpose optimization program for engineering design is described. ADS-1 (Automated Design Synthesis - Version 1) is a FORTRAN program for solution of nonlinear constrained optimization problems. The program is segmented into three levels, being strategy, optimizer, and one-dimensional search. At each level, several options are available so that a total of over 100 possible combinations can be created. Examples of available strategies are sequential unconstrained minimization, the Augmented Lagrange Multiplier method, and Sequential Linear Programming. Available optimizers include variable metric methods and the Method of Feasible Directions as examples and one-dimensional search options include polynomial interpolation and the Golden Section method as examples. Emphasis is placed on ease of use of the program. All information is transferred via a single parameter list. Default values are provided for all internal program parameters such as convergence criteria, and the user is given a simple means to over-ride these, if desired. The program is demonstrated with a simple structural design example.

Vanderplaats, G. N.↗
DOE OSTI2022

Cryogenic energy storage: Standalone design, rigorous optimization and techno-economic analysis

Energy storage allows flexible use and management of excess electricity and intermittently available renewable energy. Cryogenic energy storage (CES) is a promising storage alternative with a high technology readiness level and maturity, but the round-trip efficiency is often moderate and the Levelized Cost of Storage (LCOS) remains high. The complex flowsheets with intricate thermodynamics at cryogenic temperatures as well as the presence of multiple loops and refrigeration cycles pose considerable challenges for rigorous model-based design and optimization of CES systems. We present an optimization strategy that couples rigorous process simulation and Bayesian optimization with flowsheet decomposition and identification of hidden coupling constraints to optimally design standalone CES systems. Further refinement is done via a local search using the limited-memory Broyden–Fletcher–Goldfarb–Shanno algorithm. Here our results indicate that it is possible to achieve more than 52% round-trip efficiency and an LCOS of $153/MWh for a standalone 100 MW/400 MWh CES system limited to short-term storage with daily charging–discharging. However, a detailed techno-economic assessment reveals that the LCOS considering total capital investment may exceed $267/MWh when all direct and indirect costs of installation and operation are considered.

25 ENERGY STORAGE↗
NASA NTRS1986

An expert system for choosing the best combination of options in a general purpose program for automated design synthesis

An expert system called EXADS has been developed to aid users of the Automated Design Synthesis (ADS) general purpose optimization program. ADS has approximately 100 combinations of strategy, optimizer, and one-dimensional search options from which to choose. It is difficult for a nonexpert to make this choice. This expert system aids the user in choosing the best combination of options based on the users knowledge of the problem and the expert knowledge stored in the knowledge base. The knowledge base is divided into three categories; constrained problems, unconstrained problems, and constrained problems being treated as unconstrained problems. The inference engine and rules are written in LISP, contains about 200 rules, and executes on DEC-VAX (with Franz-LISP) and IBM PC (with IQ-LISP) computers.

Rogers, J. L.↗
NASA NTRS1985

An expert system for choosing the best combination of options in a general-purpose program for automated design synthesis

An expert system was developed to aid a user of the Automated Design Synthesis (ADS) general-purpose optimization computer program in selecting the best combination of strategy, optimizer, and one-dimensional search options for solving a problem. There are approximately 100 such combinations available in ADS. The knowledge base contains over 200 rules, and is divided into three categories: constrained problems, unconstrained problems, and constrained problems treated as unconstrained problems. The inference engine is written in LISP and is available on DEC-VAX and IBM PC/XT computers.

Rogers, J. L., Jr.↗
NASA NTRS1995

Inductive Approaches to Improving Diagnosis and Design for Diagnosability

The first research area under this grant addresses the problem of classifying time series according to their morphological features in the time domain. A supervised learning system called CALCHAS, which induces a classification procedure for signatures from preclassified examples, was developed. For each of several signature classes, the system infers a model that captures the class's morphological features using Bayesian model induction and the minimum message length approach to assign priors. After induction, a time series (signature) is classified in one of the classes when there is enough evidence to support that decision. Time series with sufficiently novel features, belonging to classes not present in the training set, are recognized as such. A second area of research assumes two sources of information about a system: a model or domain theory that encodes aspects of the system under study and data from actual system operations over time. A model, when it exists, represents strong prior expectations about how a system will perform. Our work with a diagnostic model of the RCS (Reaction Control System) of the Space Shuttle motivated the development of SIG, a system which combines information from a model (or domain theory) and data. As it tracks RCS behavior, the model computes quantitative and qualitative values. Induction is then performed over the data represented by both the 'raw' features and the model-computed high-level features. Finally, work on clustering for operating mode discovery motivated some important extensions to the clustering strategy we had used. One modification appends an iterative optimization technique onto the clustering system; this optimization strategy appears to be novel in the clustering literature. A second modification improves the noise tolerance of the clustering system. In particular, we adapt resampling-based pruning strategies used by supervised learning systems to the task of simplifying hierarchical clusterings, thus making post-clustering analysis easier.

Fisher, Douglas H.↗
NASA NTRS2000

Reliability Constrained Priority Load Shedding for Aerospace Power System Automation

The need for improving load shedding on board the space station is one of the goals of aerospace power system automation. To accelerate the optimum load-shedding functions, several constraints must be involved. These constraints include congestion margin determined by weighted probability contingency, component/system reliability index, generation rescheduling. The impact of different faults and indices for computing reliability were defined before optimization. The optimum load schedule is done based on priority, value and location of loads. An optimization strategy capable of handling discrete decision making, such as Everett optimization, is proposed. We extended Everett method to handle expected congestion margin and reliability index as constraints. To make it effective for real time load dispatch process, a rule-based scheme is presented in the optimization method. It assists in selecting which feeder load to be shed, the location of the load, the value, priority of the load and cost benefit analysis of the load profile is included in the scheme. The scheme is tested using a benchmark NASA system consisting of generators, loads and network.

Momoh, James A.↗
NASA NTRS1972

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.↗
NASA NTRS1985

An expert system for choosing the best combination of options in a general-purpose program for automated design synthesis

An expert system to aid users of the Automated Design Synthesis (ADS) general-purpose optimization program has been developed. ADS has approximately 100 combinations of strategy, optimizer, and search options from which to choose. This expert system aids the user in choosing the best combination of options for solving a particular problem. The system is written in LISP, contains about 200 rules, and executes on DEC-VAX and IBM PC/XT computers.

Rogers, J. L., Jr.↗
DOE OSTI2026

Automated scanning probe microscopy of combinatorial ferroelectric libraries: Gaussian-process-guided exploration and noise-aware experiment planning

Combinatorial materials libraries provide an efficient route for mapping composition–property relationships, but their broader impact depends on rapid, quantitative, and functionally relevant characterization. Scanning Probe Microscopy (SPM), including piezoresponse force microscopy (PFM), offers significant potential for quantitative, functionally relevant combi-library readouts. Here, we implement a fully automated SPM workflow for ferroelectric combinatorial libraries and benchmark Gaussian-process-based Bayesian optimization strategies for autonomous experiment planning. The workflow integrates automated probe motion, contact optimization, imaging, and dual amplitude resonance tracking-PFM spectroscopy, and uses scalarized spectroscopic observables to guide subsequent measurements. Stage motion, probe engagement, in-contact tuning, imaging, spectroscopy, and the choice of the next measurement location all proceed without human input. We demonstrate the approach on Sm-doped BiFeO 3 and Zn x Mg 1−x O libraries. By comparing vanilla Bayesian optimization with a measured-noise variant, we show that explicit treatment of local reproducibility can improve modeling of composition-dependent response when the measured variance is physically meaningful, but can also reduce robustness when variability is dominated by outliers or topographic artifacts. Furthermore, these results establish automated SPM as a bridge between combinatorial synthesis and quantitative functional characterization.

Liu, Yu [University of Tennessee, Knoxville, TN (U↗
DOE OSTI2025

Constrained or unconstrained? Neural-network-based equation discovery from data

Throughout many fields, practitioners often rely on differential equations to model systems. Yet, for many applications, the theoretical derivation of such equations and/or the accurate resolution of their solutions may be intractable. Instead, recently developed methods, including those based on parameter estimation, operator subset selection, and neural networks, allow for the data-driven discovery of both ordinary and partial differential equations (PDEs), on a spectrum of interpretability. The success of these strategies is often contingent upon the correct identification of representative equations from noisy observations of state variables and, as importantly and intertwined with that, the mathematical strategies utilized to enforce those equations. Specifically, the latter has been commonly addressed via unconstrained optimization strategies. Representing the PDE as a neural network, we propose to discover the PDE (or the associated operator) by solving a constrained optimization problem and using an intermediate state representation similar to a physics-informed neural network (PINN). The objective function of this constrained optimization problem promotes matching the data, while the constraints require that the discovered PDE is satisfied at a number of spatial collocation points. We present a penalty method and a widely used trust-region barrier method to solve this constrained optimization problem, and we compare these methods on numerical examples. Our results on several example problems demonstrate that the latter constrained method outperforms the penalty method, particularly for higher noise levels or fewer collocation points. This work motivates further exploration into using sophisticated constrained optimization methods in scientific machine learning, as opposed to their commonly used, penalty-method or unconstrained counterparts. For both of these methods, we solve these discovered neural network PDEs with classical methods, such as finite difference methods, as opposed to PINNs-type methods relying on automatic differentiation. Here, we briefly highlight how simultaneously fitting the data while discovering the PDE improves the robustness to noise and other small, yet crucial, implementation details.

Data-driven discovery↗
DOE OSTI2022

Thermodynamically Driven Synthetic Optimization for Cation-Disordered Rock Salt Cathodes

Relating the synthesis conditions of materials to their functional performance has long been an experience-based trial-and-error process. However, this methodology is not always efficient in identifying an appropriate protocol and can lead to overlooked opportunities for the performance optimization of materials through simple modifications of the synthesis process. In this work, we systematically track the structural evolution in the synthesis of a representative disordered rocksalt (a promising next-generation Li-ion cathode material) at the scale of both the long-range crystal structure and the short-range atomic structure using various in situ and ex situ techniques, including transmission electron microscopy, X-ray diffraction, and pair distribution function analysis. Further, an optimization strategy is proposed for the synthesis protocol, leading to a remarkably enhanced capacity (specific energy) of 313 mAh g –1 (987 Wh kg –1 ) at a low rate (20 mA g –1 ), with a capacity of more than 140 mAh g –1 retained even at a very high cycling rate of 2,000 mA g –1 . This strategy is further rationalized using ab initio calculations, and important opportunities for synthetic optimization demonstrated in this study are highlighted.

36 MATERIALS SCIENCE↗
NASA NTRS1979

Economic considerations in space industrialization

The industrial categories of the United States economy are surveyed to identify those which can function using dominantly lunar raw materials or lunar derived feedstocks (LDF) and solar energy. Sixty-four standard industrial categories (SIC) appear to be compatible with LDF inputs; another 166 SIC's might be adaptable to LDF and space industry if substitution of materials and/or terrestrial supplements were introduced. Analytic tools are presented to use in deciding optimal strategies by which a generalized economy can be developed in space in an optimal manner within given constraints of capital, products derived at a given time, local production costs, cost of import from earth and other factors.

Ayres, R. U.↗
NASA NTRSDate not supplied

Real-Time Drag Optimization of Aspect Ratio 13.5 Common Research Model with Distributed Flap System

This paper presents a real-time drag optimization study of the aspect ratio 13.5 Common Research Model (CRM) with a distributed mini-plain flap system. A surrogate aerodynamic model of the aspect ratio 13.5 CRM is developed based on an aerodynamic database computed by a transonic panel method to capture the aerodynamic coefficients as functions of the angle of attack, flap deflections, and Mach number. A recursive least-squares parameter estimation algorithm is designed to estimate the aerodynamic parameters of the surrogate model. The estimated surrogate model is then used in an on-line drag optimization strategy based on an adjoint method. The results of the real-time drag optimization indicate a drag reduction of 2.46% for Mach 0.80, 3.37% for Mach 0.85, and 1.95% for Mach 0.88. The results show the convergence of all parameter estimates.

Drag Optimization↗