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All sources NASA NTRS DOE OSTI

DOE OSTI2026

Achieving Phase Control of Polymorphic Tungsten Carbide Catalysts

The polymorphism of tungsten carbide (W x C) and the challenge of selectively synthesizing pure phases have impeded a precise understanding of catalytic structure−property relationships. This study establishes a framework for phase-selective synthesis of W x C through controlling carburization kinetics. By maintaining particle sizes below 10 nm, β-W 2 C is selectively synthesized using gaseous carbon precursors (CH 4 /H 2 ) via temperature-programmed carburization (TPC). Our findings reveal that W 2 C stabilization is predominantly dictated by particle size and carburization kinetics rather than support interactions, providing a tunable approach to synthesize tungsten carbide catalysts. We elucidate the mechanistic pathway of WO x carburization, demonstrating that CH 4 activation occurs at mild temperatures via lattice oxygen. Our reactor studies establish ex situ synthesized β- W 2 C as an active and stable catalyst for the reverse water-gas shift (RWGS) reaction. However, the need for passivation and reduction pretreatment leads to a complex surface structure with diminished intrinsic activity. In contrast, our in situ synthesis protocol for β-W 2 C eliminates the need for passivation and exhibits increased CO STY during RWGS, illustrating the intrinsically higher activity compared to metallic W, WC 1−x (0.5 < x < 1), and stoichiometric WC.

CO2 conversion↗

DOE OSTI2023

Reinforcement Learning of Structured Stabilizing Control for Linear Systems With Unknown State Matrix

This paper delves into designing feedback control gains for a continuous-time linear quadratic regulator (LQR) problem that is constrained to certain predefined structure with unknown state matrix. We bring forth the ideas from reinforcement learning (RL) in conjunction with sufficient stability and performance guarantees in order to design these structured gains using the trajectory measurements of states and controls. Here we first formulate a model-based framework using dynamic programming (DP) to embed the structural constraint to the LQR gain computation in the continuous-time setting, and then subsequently, formulate a policy iteration RL algorithm that can alleviate the requirement of known state matrix in conjunction with maintaining the feedback gain structure. The design enables a distributed learning control design which is necessary for many large-scale cyber-physical systems. Theoretical guarantees are provided for stability and convergence of the structured reinforcement learning (SRL) algorithm. We validate our theoretical results with numerical simulations on a multi-agent networked linear time-invariant (LTI) dynamic system.

42 ENGINEERING↗

DOE OSTI2025

Artificial Intelligence/Deep Learning FRNN Software for Prediction & Real-Time Control of DIII-D Plasma Control System (PCS)

This collaborative project integrated an improved version of the Artificial Intelligence/Deep Learning FRNN prediction and control software into the real-time DIII-D PCS (plasma control system). A key AI/DL software challenge is to build a modern high-performance computing (HPC) enabled “synthetic plasma simulator” capable of carrying out HPC-driven real-time plasma control applications. This involves development of a deep learning framework to train the surrogate model for a first-principles-based instability analysis simulator (“SGTC”) derived from the global gyrokinetic code GTC. The role of SGTC is to provide accurate and detailed plasma instability information from a real-time AI-based simulator capability to complement the deep learning prediction and control from experimentally-measured signals, such as ECE Imaging, supplemented by synthetic SGTC-ECEI.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1981

The role of manipulator characteristics in selecting the ideal effective vehicle

A structural model of the human pilot is introduced and discussed. The model is used to provide a rationale for certain nonlinear pilot control behavior such as stick pulsing and serves as a framework for studying aspects of motor skill development. In light of the theoretical background provided by the model, some past empirical pilot response phenomena are analyzed and shown to be attributable to manipulator or control stick characteristics. In particular, some recent problems associated with pilot/vehicle performance in glideslope tracking in short takeoff and landing (STOL) aircraft are analyzed. The apparent contribution of the cockpit manipulator (throttle) characteristics to these problems are outlined and a solution proposed and evaluated in both simulation and flight test.

Hess, R. A.↗

DOE OSTI2022

WETO Resilience Research: Microgrids, Infrastructure Resilience, and Advanced Controls Launchpad (MIRACL)

INL focuses on resilience and cybersecurity for distributed wind under the Microgrids, Infrastructure Resilience, and Advanced Controls Launchpad (MIRACL) project. Following the development of a resilience framework, INL has developed an application for resilience planning that includes automated hazard simulations to evaluate performance of various configurations. Additionally, INL is exploring the resilience of advanced distributed wind systems that leverage advanced controls and hybrid resources.

17 WIND ENERGY↗

DOE OSTI2026

Autonomous fabrication of tailored defect structures in 2D materials using machine learning-enabled scanning transmission electron microscopy

Materials with tailored quantum properties can be engineered from atomic-scale assembly techniques, but existing methods often lack the agility and accuracy to precisely and intelligently control the manufacturing process. Here, we demonstrate a fully autonomous approach for fabricating atomic-level defects using electron beams in scanning transmission electron microscopy (STEM) that combines advanced machine learning and automated beam control. As a proof of concept, we achieved controlled fabrication of MoS-nanowire (MoS-NW) edge structures by iterative and targeted exposure of MoS 2 monolayer to a focused electron beam to selectively eject sulfur atoms, utilizing high-angle annular dark-field (HAADF) imaging for feedback-controlled monitoring of structural evolution of defects. A machine learning framework combining a random forest model and a convolutional neural network (CNN) was developed to decode the HAADF image and accurately identify atomic positions and species. This atomic-level information was then integrated into an autonomous decision-making platform, which applied predefined fabrication strategies to instruct beam control about atomic sites to be ejected. The selected sites were subsequently exposed to a localized electron beam using an FPGA-controlled scan routine with precise control over beam positioning and duration. While the MoS-NW edge structures produced exhibit promising mechanical and electronic properties, the proposed methods to build the autonomous fabrication framework is material-agnostic and can be extended to other 2D materials for the creation of diverse defect structures and heterostructures beyond Mo S2 .

Engineering↗

DOE OSTI2025

Hybrid Energy Management with Real-Time Control of a High-Power EV Charging Site

Decarbonization of transportation systems is driving higher capacity energy storage and faster charging power requirements in electric vehicles (EVs). Given the potential advantages - such as increased efficiency, reduced inverter capacity, and less total cable mass - there is a demand in the industry for more DC distribution for high-power charging (HPC) hubs. However, the cost-effective, adaptive, and robust operation of the DC-coupled HPC hub necessitates a robust site energy management system (SEMS). Validating SEMS operation using a digital twin of an HPC hub in a real-time simulator (RTS) platform is crucial before field deployment. In this study, we propose a hybrid energy management site controller designed to achieve high-level, long-term operational objectives while managing low-level power sharing control between hub assets. We develop a centralized model predictive controller (MPC) to optimize hub operating points and use these points to update the droop parameters of the site energy storage system (ESS). This approach ensures the hub follows an optimal operating point while maintaining the flexibility to respond to load surges. We tested and verified our proposed approach both offline and on a Controller Hardware-in-the-loop (C-HIL) simulation platform integrated with a SEMS framework, demonstrating real-time site operation and validating a cost-effective and robust site controller.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2026

Oxidation, Oligomerization, Isomerization of Hydrocarbons Using Metal–Organic Frameworks

The selective conversion of hydrocarbons into higher-value fuels and feedstocks is essential to the global energy and chemistry landscape. While porous inorganic materials have enabled significant progress in these transformations, achieving high activity, selectivity, and stability under industrially relevant conditions remains challenging. Metal–organic frameworks (MOFs) are a promising platform to precisely control active-site environments and interrogate structure–function relationships due to their crystallinity, tunability, and porosity. This review highlights relevant hydrocarbon transformations and outlines the general mechanisms for oxidation, oligomerization, and isomerization. Metal node acidity, confinement effects, and active site dispersion are analyzed for their impact on reactivity and selectivity across the three reactions. Lastly, we discuss current limitations in catalyst stability and offer a perspective on integrating reticular chemistry with high-throughput experimentation and machine learning to accelerate the discovery and design of robust, next-generation MOF catalysts.

Catalysts↗

NASA NTRS1989

On discrete control of nonlinear systems with applications to robotics

Much progress has been reported in the areas of modeling and control of nonlinear dynamic systems in a continuous-time framework. From implementation point of view, however, it is essential to study these nonlinear systems directly in a discrete setting that is amenable for interfacing with digital computers. But to develop discrete models and discrete controllers for a nonlinear system such as robot is a nontrivial task. Robot is also inherently a variable-inertia dynamic system involving additional complications. Not only the computer-oriented models of these systems must satisfy the usual requirements for such models, but these must also be compatible with the inherent capabilities of computers and must preserve the fundamental physical characteristics of continuous-time systems such as the conservation of energy and/or momentum. Preliminary issues regarding discrete systems in general and discrete models of a typical industrial robot that is developed with full consideration of the principle of conservation of energy are presented. Some research on the pertinent tactile information processing is reviewed. Finally, system control methods and how to integrate these issues in order to complete the task of discrete control of a robot manipulator are also reviewed.

Eslami, Mansour↗

DOE OSTI2020

A Hybrid Framework Combining Model-Based and Data-Driven Methods for Hierarchical Decentralized Robust Dynamic State Estimation

This paper combines model-based and data-driven methods to develop a hierarchical, decentralized, robust dynamic state estimator (DSE). A two-level hierarchy is proposed, where the lower level consists of robust, model-based, decentralized DSEs. The state estimates sent from the lower level are received at the upper level, where they are filtered by a robust data-driven DSE after a principled sparse selection. This selection allows us to shrink the dimension of the problem at the upper level and hence significantly speed up the computational time. The proposed hybrid framework does not depend on the centralized infrastructure of the control centers; thus it can be completely embedded into the wide-area measurement systems. This feature will ultimately facilitate the placement of hierarchical decentralized control schemes at the phasor data concentrator locations. Also, the network model is not necessary; thus, a topology processor is not required. Finally, there is no assumption on the dynamics of the electric loads. The proposed framework is tested on the 2,000-bus synthetic Texas system, and shown to be capable of reconstructing the dynamic states of the generators with high accuracy, and of forecasting in the advent of missing data.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2015

Earth Science Data Fusion with Event Building Approach

Objectives of the NASA Information And Data System (NAIADS) project are to develop a prototype of a conceptually new middleware framework to modernize and significantly improve efficiency of the Earth Science data fusion, big data processing and analytics. The key components of the NAIADS include: Service Oriented Architecture (SOA) multi-lingual framework, multi-sensor coincident data Predictor, fast into-memory data Staging, multi-sensor data-Event Builder, complete data-Event streaming (a work flow with minimized IO), on-line data processing control and analytics services. The NAIADS project is leveraging CLARA framework, developed in Jefferson Lab, and integrated with the ZeroMQ messaging library. The science services are prototyped and incorporated into the system. Merging the SCIAMACHY Level-1 observations and MODIS/Terra Level-2 (Clouds and Aerosols) data products, and ECMWF re- analysis will be used for NAIADS demonstration and performance tests in compute Cloud and Cluster environments.

Lukashin, C.↗

DOE OSTI2021

A Deep Learning Modeling Framework to Capture Mixing Patterns in Reactive-Transport Systems

Prediction and control of chemical mixing are vital for many scientific areas such as subsurface reactive transport, climate modeling, combustion, epidemiology, and pharmacology. Due to the complex nature of mixing in heterogeneous and anisotropic media, the mathematical models related to this phenomenon are not analytically tractable. Numerical simulations often provide a viable route to predict chemical mixing accurately. However, contemporary modeling approaches for mixing cannot utilize available spatial-temporal data to improve the accuracy of the future prediction and can be compute-intensive, especially when the spatial domain is large and for long-term temporal predictions. To address this knowledge gap, in this work we will present in this paper a deep learning (DL) modeling framework applied to predict the progress of chemical mixing under fast bimolecular reactions. This framework uses convolutional neural networks (CNN) for capturing spatial patterns and long short-term memory (LSTM) networks for forecasting temporal variations in mixing. By careful design of the framework—placement of non-negative constraint on the weights of the CNN and the selection of activation function, the framework ensures non-negativity of the chemical species at all spatial points and for all times. Our DL-based framework is fast, accurate, and requires minimal data for training. The time needed to obtain a forecast using the model is a fraction (≈ O(-6)) of the time needed to obtain the result using a high-fidelity simulation. To achieve an error of 10% (measured using the infinity norm) for capturing local-scale mixing features such as interfacial mixing, only 24% to 32% of the sequence data for model training is required. To achieve the same level of accuracy for capturing global-scale mixing features, the sequence data required for model training is 64% to 70% of the total spatial-temporal data. Hence, the proposed approach—a fast and accurate way to forecast long-time spatial-temporal mixing patterns in heterogeneous and anisotropic media—will be a valuable tool for modeling reactive-transport in a wide range of applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Federated Deep Reinforcement Learning for Decentralized VVO of BTM DERs

The future of grid control requires a hybrid approach combining centralized and decentralized methods to fully utilize the potential of smart edge devices with artificial intelligence (AI) capabilities. This paper aims to develop and evaluate a federated deep reinforcement learning (FDRL) framework for decentralized adaptive volt-var optimization (VVO) of behind-the-meter (BTM) distributed energy resources (DERs). First, this paper models a single deep reinforcement learning (DRL) agent using the Markov Decision Process (MDP) framework for decentralized adaptive VVO of BTM DERs. Two DRL algorithms, soft actor-critic (SAC) and twin-delayed deep deterministic policy gradient (TD3), are compared for their effectiveness in optimizing VVO. Results show that TD3 outperforms SAC, achieving a 71.3% improvement in mean reward. Finally, the DRL agent is deployed within the FDRL framework, using the Flower platform, to enhance learning, provide adaptive control, and ensure data privacy for BTM DERs.

Ravi, Abhijith↗

DOE OSTI2022

Enabling DER Participation in Frequency Regulation Markets

Distributed energy resources (DERs) are playing an increasing role in ancillary services for the bulk grid, particularly in frequency regulation. In this article, we propose a framework for collections of DERs, combined to form microgrids and controlled by aggregators, to participate in frequency regulation markets. Our approach covers both the identification of bids for the market clearing stage and the mechanisms for the real-time allocation of the regulation signal. The proposed framework is hierarchical, consisting of a top layer and a bottom layer. The top layer consists of the aggregators communicating in a distributed fashion to optimally disaggregate the regulation signal requested by the system operator. The bottom layer consists of the DERs inside each microgrid whose power levels are adjusted so that the tie line power matches the output of the corresponding aggregator in the top layer. The coordination at the top layer requires the knowledge of cost functions, ramp rates, and capacity bounds of the aggregators. We develop meaningful abstractions for these quantities respecting the power flow constraints and taking into account the load uncertainties and propose a provably correct distributed algorithm for optimal disaggregation of regulation signals among the microgrids.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

A proposed framework for the development and qualitative evaluation of West Nile virus models and their application to local public health decision-making

West Nile virus (WNV) is a globally distributed mosquito-borne virus of great public health concern. The number of WNV human cases and mosquito infection patterns vary in space and time. Many statistical models have been developed to understand and predict WNV geographic and temporal dynamics. However, these modeling efforts have been disjointed with little model comparison and inconsistent validation. In this paper, we describe a framework to unify and standardize WNV modeling efforts nationwide. WNV risk, detection, or warning models for this review were solicited from active research groups working in different regions of the United States. A total of 13 models were selected and described. The spatial and temporal scales of each model were compared to guide the timing and the locations for mosquito and virus surveillance, to support mosquito vector control decisions, and to assist in conducting public health outreach campaigns at multiple scales of decision-making. Our overarching goal is to bridge the existing gap between model development, which is usually conducted as an academic exercise, and practical model applications, which occur at state, tribal, local, or territorial public health and mosquito control agency levels. The proposed model assessment and comparison framework helps clarify the value of individual models for decision-making and identifies the appropriate temporal and spatial scope of each model. This qualitative evaluation clearly identifies gaps in linking models to applied decisions and sets the stage for a quantitative comparison of models. Specifically, whereas many coarse-grained models (county resolution or greater) have been developed, the greatest need is for fine-grained, short-term planning models (m–km, days–weeks) that remain scarce. We further recommend quantifying the value of information for each decision to identify decisions that would benefit most from model input.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Time-frequency based cyber security defense of wide-area control system for fast frequency reserve

Global power systems are transiting from conventional fossil fuel energy to renewable energies due to their environmental benefits. The increasing penetration of renewable energies presents challenges for power system operation. The efficiency and sufficiency of responsive reserves have become increasingly important for power systems with a high proportion of renewable energies. The Fast Frequency Reserve (FFR), especially the Wide-area Monitoring System (WAMS)-based FFR, is a promising and effective solution to secure and enhance the stability of power systems. However, cyber security has become a new challenge for the WAMS-based FFR system. Cyber attacks on the FFR control system may threaten the safety of power system operation due to the rapid power controllability requirement of FFR. Therefore, to address this problem, a time-frequency based cyber security defense framework is proposed to detect the cyber spoofing of synchrophasor data in WAMS-based FFR control systems. This paper first introduces the Continuous Wavelet Transforms (CWTs) to decompose spoofing signals. Then, the Dual-frequency Scale Convolutional Neural Networks (DSCNN) is proposed to identify the time-frequency domains matrix from two frequency scales. Integrating CWTs and DSCNN, an identification framework called CWTs-DSCNN is further proposed to detect the spoofing attacks in the WAMS-based FFR system. Multiple experiments using the actual data from FNET/GridEye are performed to verify the effectiveness of the framework in securing WAMS-based FFR systems.

25 ENERGY STORAGE↗

DOE OSTI2020

A Conceptual Framework to Describe Energy Efficiency and Demand Response Interactions

Energy efficiency (EE) and demand response (DR) resources provide important utility system and ratepayer benefits. At the same time, the rapid change in the amount and type of variable renewable energy, like solar and wind, is reshaping the role and economic value of EE and DR, and will likely affect time-dependent valuation of EE and DR measures. Utilities are increasingly interested in integrating EE and DR measures and technologies (as well as other distributed energy resources) as a strategic approach to improve their collective cost-effectiveness and performance. However, the specific EE and DR features that may be best integrated, the interplay between changing EE and DR resource potential, and the resulting utility system impacts, are not well understood. We develop a framework to identify the EE and DR attributes, system conditions, and technological factors that are likely to drive interactions between EE and DR. We apply the framework to example measures with different technology specifics (e.g., presence of controls, building type, and targeted end use) in the context of different system conditions (e.g., peak demand, load-building periods during high renewable generation output). Ultimately, the framework defines EE and DR interactions not only by the change in discretionary load (i.e., DR potential) but also by the change in likelihood of participation in EE and DR programs—as well as the change in system need for, and the overall availability of, EE and DR resources. The framework is intended to improve the integration of EE and DR in utility operational and planning activities.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Impacts of Control, Penetration, and Distribution of Embedded Storage Network in Bulk Power System

The current shift in generation mix from fossil fuel plants towards variable and intermittent renewable energy sources is poised to create a future grid with reduced physical inertia and mismatch between generation and demand. Embedded storage, which is a concept of a coordinated network of storage units sited at the interface between the transmission and distribution system, is proposed as a mechanism to provide a buffer between generation and demand. This paper proposes an automated framework to model and integrate embedded storage in large-scale power systems with industry-grade grid-following (GFL) and grid-forming (GFM) control technologies. More importantly, the developed framework is used to explore the impacts of embedded storage control, penetration, location, and capacity in providing fast frequency response to the grid under contingency events such as generator trips and faults. The framework and study are conducted using the transient-stability simulation tool PSS/E and a realistic model of the Puerto Rico grid as a chosen test system. The simulation results show that GFL and GFM embedded storage, distributed throughout the system, with sufficient penetration and capacity, can effectively improve primary frequency response of the system under the studied contingency events.

Battery Energy Storage, embedded storage, grid-for↗