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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Rapid SACR Observations of Convection at Bankhead National Forest (RAPID) Field Campaign Report

Improving our representation of convective cell processes requires better quantification of convective clouds throughout their entire life cycle. This includes gaining a clearer understanding of the controls on key convective cloud properties, such as updraft intensity, particle size distributions, rainfall rates, and hydrometeor species. Our inability to improve convective cloud process modeling stems, in part, from a limited understanding of convective cell properties, particularly given how rapidly these storms evolve. This lack of detailed observations in the most intense and organized convective storms is especially significant, as large errors remain in representing these clouds, which are critical for severe weather prediction and Earth system model performance. Cloud and precipitation radars are essential tools for studying cloud microphysics and dynamics, particularly in deeper convective clouds. The recent U.S. Department of Energy Atmospheric Radiation Measurement (ARM) User Facility’s third Mobile Facility (AMF3) Bankhead National Forest (BNF) deployment provides a unique opportunity to investigate important land–atmosphere interactions, as well as the environmental controls on deep convective cloud processes, in a location favorable for frequent convection. We operate the X/Ka-band Scanning ARM Cloud Radar (X/Ka SACR) using a scan strategy optimized to capture these rapidly evolving clouds and their properties, thereby improving studies of deep convective cloud processes. This effort is strengthened by a complementary and coordinated partnership with ongoing university and multi-agency radar activities collocated in north Alabama—a unique opportunity to examine clouds and precipitation from a lifetime-centric perspective.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Anatomy of Local Structural Disorder of Ni(II) Species in MgCl 2 –KCl Molten Salts

Understanding the speciation of metal ions dissolved in molten salts (MS) is critical for enabling a broad range of high-temperature energy applications, including MS nuclear reactors and concentrated solar power plants. However, due to the inherent dynamicity of metal species in the MS environment and the strong temperature dependencies of their multiple coexisting forms, they are difficult to resolve structurally. Herein, we show that combining in situ X-ray absorption spectroscopy (XAS) with ab initio molecular dynamics (AIMD) simulations is necessary to uncover and quantify the coexisting coordination states of Ni(II) in molten MgCl 2 –KCl mixtures and explain how the temperature and salt composition control their relative populations. Furthermore, from the interionic angle and distance distributions of nickel in different coordination states obtained from AIMD simulations, it is evident that for each coordination state, the width and skewness of their bonding distributions increase with increasing coordination number. In conclusion, the combination of XAS with first-principles modeling to resolve metastable metal species in MS is critical for understanding their behavior over a wide range of temperatures and chemical environments in nuclear and solar applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Enhancing Time Synchronization in Smart Grid With White Rabbit: Theory, Architecture, and Challenges

The smart grid aims to provide economically efficient and sustainable power to consumers with high quality and security. However, the increasing integration of distributed renewable energy sources presents challenges for smart grid protection and control systems. Here, to enhance smart grid operations, this article introduces White Rabbit (WR) as a more precise and accurate time synchronization technique. To explore White Rabbit’s potential applications in the smart grid, this study first explains existing time synchronization techniques and their limitations, followed by an analysis of the role and importance of time synchronization in smart grids. A comprehensive survey is then conducted, covering the theories, principles, implementations, performances, and existing application cases of White Rabbit. The findings suggest that White Rabbit is a promising technique for smart grid deployment. However, several challenges remain on the path to large-scale implementation. These challenges are analyzed in detail, highlighting key areas for future research.

Liu, Yu [University of Tennessee, Knoxville, TN (U↗
DOE OSTI2026

Collaborative: Fundamental studies of how water influences the synthesis and behavior of zeolite catalysts for reactions in the circular carbon economy (Final Technical Report)

This project established a computational framework to predict and interpret how synthesis conditions control active site location in MFI zeolites and how those site distributions influence catalytic reactivity. The Hibbitts Group led the theoretical effort, applying periodic DFT calculations to quantify (i) SDA–framework–heteroatom interactions during crystallization and (ii) the energetics and mechanisms of arene methylation reactions within distinct MFI environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Spatial quantum-interference landscapes of multi-site-controlled quantum dots coupled to extended photonic cavity modes

Abstract A compact platform to integrate emitters in a cavity-like support is to embed quantum dots (QDs) in a photonic crystal (PhC) structure, making them promising candidates for integrated quantum photonic circuits. The emission properties of QDs can be modified by tailored photonic structures, relying on the Purcell effect or strong light-matter interactions. However, the effects of photonic states on spatial features of exciton emissions in these systems are rarely explored. Such effect is difficult to access due to random positions of self-assembled QDs in PhC structures, and the fact that quantum well excitons’ wavefunctions resemble photonic states in a conventional distributed Bragg reflector cavity system. In this work, we instead observe a spatial signature of exciton emission using site-controlled QDs embedded in PhC cavities. In particular, we observe the detuning-dependent spatial repulsion of the QD exciton emissions by polarized imaging of the micro-photoluminescence, dependent on the controlled QD’s position in a spatially extended photonic pattern. The observed effect arises due to the quantum interference between QD decay channel in a spatially-extended cavity mode. Our findings suggest that integration of site-controlled QDs in tailored photonic structures can enable spatially distributed single-photon sources and photon switches.

Physics↗
DOE OSTI2026

EVs-at-RISC: A Secure and Resilient Interoperable SCM Control System Architecture for Electric Vehicle’s-at-Scale (Final Technical Report)

The EVs-at-RISC project was a five-year research, development, and demonstration initiative to create foundational tools for utility-scale fleet aggregation and Smart Charge Management (SCM) of Electric Vehicles (EV), Electric Vehicle Charging Infrastructure (EVCI), and related Distributed Energy Resources (DER). Rather than seeking to develop and demonstrate highly perfected SCM algorithms and control strategies, this project instead focused on creating foundational software solutions that enable unprecedented digital interoperability across the communications technologies and vendor platforms used to manage EV , EVCI, and DER, as well as existing energy management infrastructure operated by utilities, grid operators, and aggregators. This project then extends these novel interoperability capabilities to develop and deploy powerful middleware abstractions across grid edge networks and EVCI/DER fleet aggregations incorporating modern software tools and best practices, such as CI/CD, to bring the immense capabilities of infrastructure-as-code and policy-as-code to modern grid edge network environments. This addresses the foremost systemic issues preventing realization of any net operational benefits from scaled deployment of behind-the-meter EV, EVCI, and DER assets in electric power grids and markets today. The results of this approach and project unlock massive potential for new SCM capabilities to be easily prototyped, evaluated, and deployed at-scale within the existing grid edge network infrastructure and EVCI/DER technology ecosystem. The EVs-at-RISC project achieves this by extending Open Field Message Bus (OpenFMB), a conceptual model for digital interoperability and distributed intelligence in traditional front-of-meter utility SCADA networks, validating our hypothesis that OpenFMB could be similarly used to solve systemic digital interoperability issues in behind-the-meter environments and unlock real-world utility-scale SCM capabilities without requiring any new proprietary vendor solutions or significant infrastructure reconfiguration.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

High-Power Electric Vehicle Charging Hub Integration Platform (eCHIP): Site Energy Management System Platform Development

A site energy management system is a critical component of future high-power EV charging hubs. It monitors and supervises all inter-hub operations, coordinates grid interactions, and implements energy management strategies and load-sharing controls at various levels and time scales. This report provides a comprehensive high-level overview and guidelines on the essential elements of such energy management systems. These elements primarily focus on the core functions, architecture, and monitoring aspects of site energy management. The core functions define the grid services and operational objectives that a charging hub is expected to provide and achieve. The architectural section investigates the coordination between hub assets, different control schemes, and their potential benefits and drawbacks. Lastly, the report discusses the needs, types, and functionalities of a monitoring and visualization system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Dimensional Control in Phase-Pure Coevaporated Quasi-2D Ruddlesden–Popper Structures

Fast, uncontrolled crystallization with several competing pathways makes solution-processing of phase-pure quasi-two-dimensional (quasi-2D) metal halide Ruddlesden–Popper thin films challenging. Typically, solution-processing results in the formation of different structural phases with varying dimensionality ranging from 2D, to quasi-2D, and 3D, introducing bandgap disorder and inhibiting charge transport. In this work, we eliminate interactions between precursor salts and solvents by using controlled thermal coevaporation to grow quasi-2D thin films that show high phase purity and narrow phase distribution. We study the structural landscape using synchrotron-based X-ray scattering and charge-carrier dynamics using ultrafast pump–probe spectroscopy. We then demonstrate a strategy to control the crystallographic phase of the film through phosphonic acid-based surface modification. We use density functional theory to study the interactions between propylphosphonic acid and the organic precursors and find that the interactions of loosely bound phosphonic acid molecules with evaporated precursors, followed by the migration of phosphonic acids through the deposited thin film, dictate the film structure between 2D and quasi-2D phases. These findings introduce new solvent-free methods for the fabrication of phase-pure quasi-2D Ruddlesden–Popper thin films and control phase selectivity across different dimensional (2D and quasi-2D) structures.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Data Management for Digital Twin Implementation: Enhancing Existing SCADA Architecture for INL's CITRC Test Distribution System

The United States power grid will continue to experience stress from aging infrastructure, extreme weather, and increasing loads. In order to strengthen resiliency, researchers need to run tests and simulations that model real-life infrastructure. Idaho National Laboratory (INL) is creating a digital twin of its Critical Infrastructure Test Range Complex (CITRC). CITRC is an at-scale grid testbed which can be configured in utility-realistic distribution scenarios for a variety of tests, such as advanced grid protection and control. A digital twin of this infrastructure would support in-depth tests/simulations without risking physical consequences, before trialing devices under test at-scale. This project focuses on the data acquisition part of constructing a digital twin. It investigates the Supervisory Data Acquisition and Control (SCADA) system of CITRC and explores ways to utilize this system for the twin. Future “ideal” at-scale implementations such as upgraded equipment, modern communication protocols, and automation applications are also explored.

24 - POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Towards intelligent emergency control for large-scale power systems: Convergence of learning, physics, computing and control

Here, this paper has delved into the pressing need for intelligent emergency control in large-scale power systems, which are experiencing significant transformations and are operating closer to their limits with more uncertainties. Learning-based control methods are promising and have shown effectiveness for intelligent power system control. However, when they are applied to large-scale power systems, there are multifaceted challenges such as scalability, adaptiveness, and security posed by the complex power system landscape, which demand comprehensive solutions. The paper first proposes and instantiates a convergence framework for integrating power systems physics, machine learning, advanced computing, and grid control to realize intelligent grid control at a large scale. Our developed methods and platform based on the convergence framework have been applied to a large (more than 3000 buses) Texas power system, and tested with 56 000 scenarios. Our work achieved a 26% reduction in load shedding on average and outperformed existing rule-based control in 99.7% of the test scenarios. The results demonstrated the potential of the proposed convergence framework and DRL-based intelligent control for the future grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Polynomial Chaos Surrogate Construction for Random Fields with Parametric Uncertainty

Engineering and applied science rely on computational experiments to rigorously study physical systems. The mathematical models used to probe these systems are highly complex, and sampling-intensive studies often require prohibitively many simulations for acceptable accuracy. Surrogate models provide a means of circumventing the high computational expense of sampling such complex models. In particular, polynomial chaos expansions (PCEs) have been successfully used for uncertainty quantification studies of deterministic models where the dominant source of uncertainty is parametric. We discuss an extension to conventional PCE surrogate modeling to enable surrogate construction for stochastic computational models that have intrinsic noise in addition to parametric uncertainty. We develop a PCE surrogate on a joint space of intrinsic and parametric uncertainty, enabled by Rosenblatt transformations, which are evaluated via kernel density estimation of the associated conditional cumulative distributions. Furthermore, we extend the construction to random field data via the Karhunen–Loève expansion. We then take advantage of closed-form solutions for computing PCE Sobol indices to perform a global sensitivity analysis of the model which quantifies the intrinsic noise contribution to the overall model output variance. Additionally, the resulting joint PCE is generative in the sense that it allows generating random realizations at any input parameter setting that are statistically approximately equivalent to realizations from the underlying stochastic model. The method is demonstrated on a chemical catalysis example model and a synthetic example controlled by a parameter that enables a switch from unimodal to bimodal response distributions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Microwave-photonic control of optically accessible spin defects in diamond

A growing variety of optically accessible spin qubits have emerged in recent years as key components for quantum sensors, computers, and memories. However, the scalability of conventional spin-based quantum architectures remains limited by direct microwave delivery, which introduces thermal noise, electromagnetic crosstalk, and design constraints for cryogenic, high-field, and distributed systems. In this work, we present a unified framework for RF-over-fiber (RFoF) control of spins accessible through optically detected magnetic resonance (ODMR) spectroscopy of nitrogen-vacancy (NV) centers in diamond. The RFoF platform relies on an intensity-modulated 1310 nm laser carrying microwave signals over fiber and a high-speed photodiode for optical-to-electrical conversion to drive NV spin transitions. We report an RFoF power-conversion efficiency of 3.42% for an RF output PRF,out=-5.5 dBm at 2.87 GHz, enabling clear resolution of Zeeman splitting in

Rahman, M Reefaz [ORNL] (ORCID:0000000323541611)↗
DOE OSTI2024

Flexible dynamic boundary microgrid operation considering network and load unbalances

Flexible microgrids with dynamic boundaries have recently been introduced in the literature. With the ability to reconfigure the topology of the microgrids dynamically through remotely controlled switches, flexible microgrids with dynamic boundaries can further improve the resiliency and energy efficiency of microgrids with distributed energy resources (DERs). This paper focuses on the optimal operation considering one of the predominant characteristics of microgrids and distribution systems – unbalanced networks and loads. In existing literature, balanced modeling of microgrids is more common due to its attractive simplicity. The three-phase power unbalance has not been considered as a constraint on the generation units in a microgrid. Further, negative sequence constraints have also been neglected. In this article, we propose a set of constraints that is specifically related to the capabilities of inverter interfaced resources to supply unbalanced current/power when the microgrid is islanded from the main distribution grid. We incorporate the new set of constraints into two optimization formulations leveraging two convex relaxations of the three-phase power flow equations: mixed-integer linear programming (MILP) and mixed-integer semidefinite programming (MISDP) that optimize the dispatch of controllable switches and DERs in the microgrid. The algorithms are then extended to networked microgrids with grid-forming sources. We test the algorithms on a realistic community microgrid model in Puerto Rico as well as standardized IEEE distribution test feeders. The testing results demonstrate the performance of the proposed algorithms. The MILP is fast and scalable, and the MISDP enforces the negative sequence voltage constraints.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Model-Based Detection of Coordinated Attacks (DCA) in Distribution Systems

The fast-paced growth in digitization of smart grid components enhances system observability and remote-control capabilities through efficient communication. However, enhanced connectivity results in heightened system vulnerability towards cybersecurity risks in the cyber-physical power system. Coordinated cyber-attacks (CCA), when undetected, lead to system-wide impact in terms of large disturbances or widespread outages. Detecting CCA in the cyber layer is critical to thwart cyber-attacks in real-time before the attack impacts the physical system. The challenge of locating CCA stems from the complex grid dynamics, making it difficult to distinguish between normal operational variations and cyber-attack impact. CCA often employs multiple attack vectors targeting geographically distributed components, further complicating CCA identification. Existing research in intrusion detection is primarily focused on the transmission network and limited to detecting individual attacks. In this paper, a novel proactive DCA strategy is proposed for early detection of CCA by establishing correlations among distinct attack events through model-based reinforcement learning that utilizes abductive reasoning to conclude the attacker goal. The solution includes understanding the system model, learning the system dynamics, and correlating individual cyber-attacks to extract the attacker’s objective. The developed learning algorithm identifies the most probable attack path to reach the attacker’s objective by predicting the next attack steps. A DNP3-based cyber-physical co-simulation testbed is developed to test the proposed algorithm using the IEEE 13-node test feeder.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Investigation of the iodate sorption mechanism by CoAl LDH through experiments and ab initio molecular dynamics simulations

Radioiodine released during the nuclear-fuel cycle constitutes a persistent radiological hazard. In this study, the IO 3 – uptake mechanism of CoAl LDH was resolved by combining pH-controlled sorption experiments, synchrotron XAFS, and DFT-based AIMD simulations. At pH close to 6, approximately 90% of IO 3 – was removed, and the equilibrium distribution coefficient reached about 1.7 × 10 4 mL g –1 . EXAFS analysis indicated an average iodine–oxygen bond length of 1.81 Å and a coordination number near 3, with the fit R-factor equal to 0.002. The simulations faithfully reproduced the experimental spectrum and revealed transient proton hopping events that generated metastable I–O–H species inside the interlayer, thereby confirming nitrate-to-iodate exchange as the controlling capture pathway. Atomic density profiles and radial distribution functions further showed that IO 3 – adopt an end-on orientation perpendicular to the hydroxide sheets, while water molecules mediate proton migration without disturbing the host lattice. In conclusion, the integrated experimental–computational evidence demonstrates that CoAl LDH can rapidly and selectively sequester IO 3 – under near-neutral conditions, offering atomic scale guidance for the rational engineering of layered sorbents for advanced radioactive-waste treatment.

Kang, Jaehyuk [Jeju National Univ. (Korea, Republi↗
DOE OSTI2024

Nonlinear behavior in high-frequency aggregate control of thermostatically controlled loads

Coordinated control of electric loads can provide valuable grid services, such as frequency regulation. However, due to the nonlinear characteristics of such load ensembles, it is important to systematically analyze their behavior and establish a thorough understanding of undesirable phenomena that can potentially arise. In this paper, we analyze the frequency response of an aggregate control scheme, with the goal of exploring controller performance limits. We show that rapid switching commands can induce oscillations in the power output due to the inherent lockout mechanism of the underlying devices. Here, we demonstrate that highly detailed aggregate models are required to capture such phenomena. Such models enable deeper understanding of the control boundaries and therefore play an important role in avoiding the introduction of undesirable effects on the grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Pulsed radio frequency power modulation for profile control in cryogenic reactive ion etching of silicon gratings

Cryogenic silicon etching with SF 6 /O 2 plasmas enables vertical sidewalls and smooth surfaces for high–aspect-ratio structures, yet precise control of etched profiles (sidewall angle, lateral etching, and linewidth retention) remains challenging under continuous-wave excitation due to coupling among radical fluxes, ion energy distributions, and in situ passivation dynamics. In this work, we investigated pulsed radio frequency bias delivery as a process knob for profile control during cryogenic silicon etching. Systematic experiments on 500 nm-wide, 1 μm-pitch gratings etched to 0.8–1.1 μm depth at 0.5–2 kHz pulsing frequency and 25%–75% duty cycle revealed strong dependencies of etch rate, linewidth, and sidewall angle on modulation conditions. We proposed a conceptual kinetic picture combined with feature-scale electrostatic analysis to understand the alternation of ion-driven etching and passivation recovery between on/off segments and local electric field shaping and modulation of ion trajectories within the trench. Moderate duty cycles (50%–75%) near 1 kHz achieved a balance between anisotropy and etch rate. These results demonstrate pulsed-bias modulation can be utilized to tune directionality and sidewall preservation in cryogenic SF 6 /O 2 etching, which are relevant to photonic, metrology, and quantum device fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Model Predictive Control to Improve Grid Resilience

The following article details a model predictive control (MPC) to improve grid resilience when faced with variable generation resources. This topic is of significant interest to utility power systems where distributed intermittent energy sources will increase significantly and be relied on for electric grid ancillary services. Previous work on MPCs has focused on narrowly targeted control applications such as improving electric vehicle (EV) charging infrastructure or reducing the cost of integrating Energy Storage Systems (ESSs) into the grid. In contrast, this article develops a comprehensive treatment of the construction of an MPC tailored to electric grids and then applies it integration of intermittent energy resources. To accomplish this, the following article includes a description of a reduced order model (ROM) of an electric power grid based on a circuit model, an optimization formulation that describes the MPC, a collocation method for solving linear time-dependent differential algebraic equations (DAEs) that result from the ROM, and an overall strategy for iteratively refining the behavior of the MPC. Next, the algorithm is validated using two separate numerical experiments. First, the algorithm is compared to an existing MPC code and the results are verified by a numerically precise simulation. It is shown that this algorithm produces a control comparable to existing algorithms and the behavior of the control carefully respects the bounds specified. Second, the MPC is applied to a small nine bus system that contains a mix of turbine-spinning-machine-based and intermittent generation in order to demonstrate the algorithm’s utility for resource planning and control of intermittent resources. This study demonstrates how the MPC can be tuned to change the behavior of the control, which can then assist with the integration of intermittent resources into the grid. The emphasis throughout the paper is to provide systematic treatment of the topic and produce a novel nonlinear control compatible design framework applicable to electric grids and the control of variable resources. This differs from the more targeted application-based focus in most presentations.

microgrid↗