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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 397 records · Page 22

Accessing Lanthanide-to-Lanthanide Energy Transfer in a Family of Site-Resolved [Ln III Ln III '] Heterodimetallic Complexes

The ligand H 3 L (6-[3-oxo-3-(2-hydroxyphenyl)propionyl]pyridine-2-carboxylic acid), which exhibits two different coordination pockets, has been exploited to engender and study energy transfer (ET) in two dinuclear [Ln III Ln III '] analogues of interest, [EuYb] and [NdYb]. Their structural and physical properties have been compared with newly synthesised analogues featuring no possible ET ([EuLu], [NdLu], and [GdYb]) and with the corresponding homometallic [EuEu] and [NdNd] analogues, which have been previously reported. Photophysical data suggest that ET between Eu III and Yb III does not occur to a significant extent, whereas emission from Yb III originates from sensitisation of the ligand. In contrast, energy migration seems to be occurring between the two Nd III centres in [NdNd], as well as in [NdYb], in which Yb III luminescence is thus, in part, sensitised by ET from Nd. This study shows the versatility of this molecular platform to further the investigation of lanthanide-to-lanthanide ET phenomena in defined molecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multistage robust optimization for the day-ahead scheduling of hybrid thermal-hydro-wind-solar systems

The integration of large-scale uncertain and uncontrollable wind and solar power generation has brought new challenges to the operations of modern power systems. In a power system with abundant water resources, hydroelectric generation with high operational flexibility is a powerful tool to promote a higher penetration of wind and solar power generation. In this paper, we study the day-ahead scheduling of a thermal-hydro-wind-solar power system. The uncertainties of renewable energy generation, including uncertain natural water inflow and wind/solar power output, are taken into consideration. We explore how the operational flexibility of hydroelectric generation and the coordination of thermal-hydro power can be utilized to hedge against uncertain wind/solar power under a multistage robust optimization (MRO) framework. To address the computational issue, mixed decision rules are employed to reformulate the original MRO model with a multi-level structure into a bi-level one. Column-and-constraint generation (C &CG) algorithm is extended into the MRO case to solve the bi-level model. The proposed optimization approach is tested in three real-world cases. Furthermore, the computational results demonstrate the capability of hydroelectric generation to promote the accommodation of uncertain wind and solar power.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Optimizing power system restoration with damaged communications

Utility procedures for power system blackstart and restoration typically assume that energization decisions can be reliably communicated across the grid. In reality, the communications and control network would likely also be affected in power outages, such as those caused by extreme weather events or cyber-attacks. This paper studies the effect of damage to the power system communications and control infrastructure on restoration operations following a blackout. We model the communications infrastructure as a graph, overlaying the power grid, and imposing the requirement that every energized element in the power grid be observable from a control center. We expand on a specialized branch-and-bound algorithm from the literature to optimize the restoration process and devise an initialization heuristic and a rounding heuristic to improve solution speed. We perform numerical experiments on synthetic systems for Illinois and Texas with outages based on a solar flare or hurricane. We compare the results of our specialized branch-and-bound algorithm to the results from (i) the initialization heuristic alone, (ii) a variation of this heuristic that we use as a baseline, and (iii) the restoration optimization for the power system without communications constraints. Here, we find that damage to the communications infrastructure significantly increases the time required to re-energize the grid. Moreover, by simultaneously optimizing communications repairs and grid energization decisions, we are able to re-energize the grid significantly faster than if communications repairs and energization decisions were made independently or with partial coordination, motivating improvements to current industry practice.

97 MATHEMATICS AND COMPUTING↗

The Hidden Flexibility of the Natural Gas Network for Electric Power Operations: A Case Study of a Near-Miss Winter Event

The U.S. power sector has become increasingly reliant on gas pipeline networks to deliver fuel to natural gas power plants. In addition to supplying relatively low-cost fuel, gas networks offer generators flexibility in their operations through the ability to deliver fuel when needed by using gas storage facilities or linepack if the gas network is at an operating point below its design capacity. However, disruptions or stress events on the gas network - like those occurring in the Northeast and Texas in recent years - can result in limitations on gas availability to generators at times when generation is in short supply. Here we examine a period of stress that occurred in the winter of 2022 in the Western United States. Using data on the region's natural gas pipeline network and electric generators, we build an integrated gas and electric model that closely replicates the actual dispatch of the period. We then evaluate the implications of removing flexibility employed by the gas network operator, which during that period curtailed scheduled gas deliveries to other parties to increase deliveries to natural gas power plants, which requested more gas than initially forecasted. We find that without the flexibility supplied by the gas network operator, there would have been curtailment of gas generation due to gas offtake constraints, requiring the power system operator to redispatch relying on more expensive generation or to potentially shed load. A sensitivity exploring a wind drought further exacerbates the strain, illustrating the potential challenge of managing gas and grid interactions as systems move to higher shares of variable renewable electricity. Based on this example, we discuss potential coordination strategies between the two system operators to ensure that the power system can successfully utilize and rely on the flexibility offered by natural gas networks.

03 NATURAL GAS↗

Modeling and control of nuclear–renewable integrated energy systems: Dynamic system model for green electricity and hydrogen production

The need for decarbonization and diversification of energy resources has led to the development of integrated energy systems (IESs), where multiple resources supply more than one energy sector. Here, one such IES with small modular nuclear reactors and renewables (wind and solar) as generating resources, catering to the demand of the electric grid while producing hydrogen for industries, is modeled in this paper. The physics-based component models are represented using the Modelica language and interconnected to form the IES. The control and coordination of the overall system are ensured by designing a suitable control architecture composed of individual subsystem-level controls and supervisory control. The dynamic performance and the load-following capability of the IES are evaluated, while satisfying the safe operational limits of the components. Different configurations and modes of IES operation are considered, where the adaptability of the control system in the presence of varying demands and renewable generations is validated. The simulation results indicate that hydrogen as a flexible load facilitates the supply of varying grid demand. Additionally, the renewables are also accommodated into the IES owing to the flexibility of the balance of plant associated with the nuclear reactors.

24 POWER TRANSMISSION AND DISTRIBUTION↗

CEEP (Cyber-Energy Emulation Platform) [SWR-20-102]

NREL's Cyber-Energy Emulation Platform (CEEP) provides the capability to realize cyber-energy security and resilience through automation and orchestration of virtualized systems and software defined networks for the electric grid. CEEP enables testing and validation of grid-security and -control methodologies as the grid evolves to include smart technologies/systems, such as virtualization and containerization of grid components, software defined networking, simulation and co-simulation frameworks, and hardware in the loop. CEEP is a modular system that can be distributed and deployed across different hardware infrastructure sizes and network architectures. For example, CEEP can visualize, emulate, and/or coordinate the Smart-Grid Network Visualization, Intrusion Detection, and Network Healing system. Using CEEP, intrusion-detection and network-self-healing solutions can be deployed at grid control centers, within secure private clouds, and in cyber-energy appliances.

Vaughan, Evan↗

Cyber Energy Emulation Platform (CEEP) [SWR-20-102]

NREL's Cyber-Energy Emulation Platform (CEEP) provides the capability to realize cyber-energy security and resilience through automation and orchestration of virtualized systems and software defined networks for the electric grid. CEEP enables testing and validation of grid-security and -control methodologies as the grid evolves to include smart technologies/systems, such as virtualization and containerization of grid components, software defined networking, simulation and co-simulation frameworks, and hardware in the loop. CEEP is a modular system that can be distributed and deployed across different hardware infrastructure sizes and network architectures. For example, CEEP can visualize, emulate, and/or coordinate the Smart-Grid Network Visualization, Intrusion Detection, and Network Healing system. Using CEEP, intrusion-detection and network-self-healing solutions can be deployed at grid control centers, within secure private clouds, and in cyber-energy appliances.

Rivera, Joshua↗

A Remote Development Process and Platform for Power Electronic Systems

Like many areas in research and development, power electronic and distributed energy resource research and development slowed during the COVID pandemic. While the presence of the virus has reduced and workers are returning to shared offices, uncertainty of potential future challenges are still present. This work proposes a development and testing network that provides researchers the ability to operate remotely and coordinate control and debug activities for power electronic systems. This development and testing network has been demonstrated in both controller hardware-in-the-loop (C-HIL) and hardware testing.

Starke, Michael↗

An Autonomous MCP Bridge to Rucio: Enhancing Data Management Accessibility for High Energy Physics

The Rucio Data Management System [1] is an important tool used by High Energy Physics experiments, including those at Fermi National Accelerator Laboratory, to store and manage exabyte-scale scientific datasets. Despite its central role in coordinating data across globally distributed storage sites, Rucio's command line interface (CLI) presents a steep learning curve, and makes it difficult for scientists to navigate through. To solve this issue, a containerized Model Context Protocol (MCP) [2] server was built that connects Large Language Models directly to Rucio, allowing AI agents to handle data tasks by using simple, natural language rather than memorized terminal commands. The core engineering focus of this project was moving the server away from slow terminal commands that require text parsing and replacing them with a native Python Client API toolset and a planned REST API framework. Moving to the Python API handles data operations directly in memory, which helps clear up formatting errors, provides the AI with clean, structured JSON data and speeds up tool execution. To prove that the system actually works, a benchmarking pipeline was also built with various questions to test the AI across four different model configurations. The questions included finding data scopes, tracking down specific datasets, and checking replication rules. Through benchmarking, early runs showed that with raw terminal text, the model would get confused and stuck, whereas switching to the Python API to feed the AI clean, structured data yielded massive improvement. By creating an intelligent and autonomous bridge to a storage network, this project shows how AI can be implemented in scientific data management, which ultimately helps scientists at Fermilab spend less time sorting through data and more time focusing on their experiments and analysis.

Akella, Kashyap [William Rainey Harper Coll.]↗

Actinium–DOTA coordination in water from hybrid ML/MM: Structure, free energies, and water-exchange pathways

Quantitative simulation of trivalent ƒ-block chelates in water remains challenging because bonded and non-bonded force-field models make different approximations for coordination structure, exchange dynamics, and ion–ligand interactions in highly charged systems. Here, we develop a hybrid machine-learning/molecular-mechanics (ML/MM) framework for Ac 3+ –DOTA in explicit solvent by training an E(3)-equivariant neural network potential (MACELES) on mechanically embedded QM/MM data for Ac aquo and Ac–DOTA species and coupling it to NAMD 2.14 with particle-mesh Ewald electrostatics. Nanosecond ML/MM trajectories remain numerically stable and preserve chelate integrity, yielding a compact DOTA inner shell with an inner-sphere water coordination number of CN Ac,O w ≈ 1.7 arising from a dynamic equilibrium between one- and two-water states (37.5% and 59.9% of frames; three waters 2.5%). A 5 ns potential of mean force shows two low-lying basins at CN Ac,O w ≈ 1 and CN Ac,O w ≈ 2. DFT end-state free energies are consistent with the ML/MM profile, and DFT minimum-energy paths provide a qualitative electronic-structure reference for the observed basin connectivity. State-resolved kinetics reveal picosecond water-exchange pathways that couple hydration changes to transient DOTA arm fluctuations, and training-set comparisons show that temperature-matched Ac–DOTA data optimize energy/force accuracy while more diverse solvated data improve charge prediction. Overall, the present hybrid ML/MM model provides a practical description of Ac 3+ –DOTA hydration thermodynamics and short-time exchange behavior in explicit water at MD-like cost.

Actinium↗

Building-to-Grid Modeling Framework with a Case Study of Battery Systems

Coordinating electricity load shifting operations of multiple buildings has the potential to achieve significant benefits for both building owners and grid operation. In support of this research, this paper develops a novel building-to-grid modeling framework, which uses EnergyPlus to develop physics-based building energy models and GridLAB-D to develop distribution-level grid models. The data exchanges between buildings and distribution-level grid are conducted using Python script and HELICS co-simulation platform. Then, by using this modeling framework, this paper conducts a case study of battery systems in a connected community, which consists of 10 multi-family buildings with appropriately sized batteries. The three scenarios, baseline operation, tolerant to price fluctuations, and opportune usage, are studied. The result displays that, by adopting onsite batteries, both electricity costs for building owners and aggregated peak power demands are reduced.

Building-to-grid, connected community, co-simulati↗

A National Roadmap for Grid-Interactive Efficient Buildings

The way electricity is generated and consumed in the US is quickly changing, including in terms of the rapid growth in variable power generation resources and the need for large-scale investments to replace aging infrastructure and modernize the grid. Buildings that coordinate electricity use with grid conditions are a flexible and cost-effective resource to address the evolving power system challenges. Outfitted with smart technologies, GEBs are energy-efficient buildings with smart technologies characterized by the active use of distributed energy resources to optimize energy use for grid services, occupant needs and preferences, and cost reductions in a continuous and integrated way. In doing so, GEBs can play a key role in promoting greater affordability, resilience, environmental performance, and reliability. The report finds that, over the next two decades, GEBs could deliver between $100 and $200 billion in savings to the US power system and cut CO 2 emissions by 80 million tons per year by 2030, or 6% of total power sector CO 2 emissions. The report also provides 14 recommendations for addressing the top barriers to overcome barriers to GEB adoption and deployment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Finite element algorithms for compressible flow computation on a supercomputer

Methods of applying computational fluid dynamics techniques to engineering problems are discussed. The linking factors between theoretical and applied research are the shape and weight functions which produce the Galerkin finite element schemes. The flow is unsteady, viscous, heat conducting and compressible, and steady-state flows are the asymptotic limit of unsteady flows. All flows are described by the time-averaged Navier-Stokes equations (NSE) with mass and energy conservation. Local curvilinear intrinsic coordinates are applied to discretize the NSE in arbitrary geometric domains. A modified weighted residuals approach defines the discrete analogs of the physical systems modeled and a general interpolants method is used to derive families of numerical models, both implicit and explicit, finite difference and finite elemnt, from a single point of departure. Time-dependent element approximations are achieved with a progressive assembly of generalized elements method. Hyperbolic steady-state Euler algorithms and quasi-parabolic are spatial marching algorithms for solving the discretized equations. Application of the techniques is illustrated through calculation of the compressible flow around a hypersonic flight vehicle at 100,000 ft at zero angle of attack at speeds of Mach 4-10.

Spradley, L. W.↗

Vacuum polarization in a strong external field

Vacuum polarization in the field of a high-Z finite-size nucleus is examined, and the polarization charge density in coordinate space of order alpha(Z alpha)exp n not less than 3 is calculated. Energy-level shifts of K- and L-shell electrons in hydrogenlike systems are given.

Soff, Gerhard↗

Control and Optimization of Energy Storage System in Power Distribution System

The widespread adoption of electric vehicles (EVs) and transportation electrification is encumbered by two chief barriers: i) the limited driving range of EVs in the market today and ii) inadequate fast-charging infrastructure for long-distance trips. Extreme fast charging (XFC) technology can recharge EVs in less than 10 minutes for 200 miles range. Firstly, a novel robust optimization-based mixed integer linear programming model is proposed to size a battery energy storage system (BESS) and PV system in an XFCS. In this part, it is assumed that the sizing and location of the XFCS are known. Secondly, the aforesaid assumption is relaxed, and a strategic multi-period coordinated planning model is proposed to optimally site and size BESS-assisted charging stations in a highway transportation network and PV systems in a power distribution network by considering the coupling between both networks. Optimal operation and control of BESS-assisted EV charging stations are vital to alleviate the adverse impact of extreme fast charging of EVs on the host power network. A joint solution is proposed to mitigate the steady state and transient impact of extremefast charging of EVs and ensure grid-friendly integration of XFCSs with the host grid. Lastly, to make the operation of the XFCS cost-effective, a multi-layered energy management framework is proposed for the XFCS by considering forecast uncertainties, monthly demand charges reduction, and BESS degradation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Development of Integrated Mechanical Pods

This presentation highlights early wins, updated progress, and upcoming developments on ‘national-scale shared development platform’ for rapid prototyping, testing and validation of various integrated Mechanical Pod solutions and form factors. Such pod solutions consist of a set of all-electric heat pump mechanical equipment that have integrated functionalities through built-in controls, with heating, cooling, hot water, ventilation (including energy recovery), electrical management, and battery storage within a single package. The presentation draws inspiration from the success of bathroom pods in the US modular construction industry, UK’s efforts with unitizing mechanical systems as ‘utility cupboards’, and VEIC’s early wins in design-build of all-electric Mechanical Pod solutions in Vermont. The presentation includes researchers and partners involved with NREL in Design for Manufacturing and Assembly (DfMA), Virtual Design and Construction (VDC), and digital twin based process optimization modeling of integrated Mechanical Pod solutions. The presentation aims to highlight early wins from such a platform and how various physical and virtual tools are currently being employed as part of NREL’s ongoing multi-year project funded by US DOE. Streamlined procurement, coordination, installation, and O&M of Mechanical Pods such that the majority of work is delegated to the off-site modular factory implies monetary savings. Such a seemingly basic shift in location of the construction process leads to great reduction in complexity, first cost, lead time, and waste, and greater opportunities for innovative compartmentalization and integration of mechanical systems appropriately sized for each apartment or hotel guest room. However, past studies on unitized combination systems show that high installation costs, maintenance issues, challenges with system integration, limitations in existing electrical infrastructure, and lack of architecturally appealing solutions are key barriers. NREL and partners aim to address key barriers through DfMA approach, rapid prototyping and testing, and digital twin process optimization modeling. The presentation is also a call for interested entities to partner with NREL as part of the national-scale development platform, help drive both product and process innovation, and encourage open source sharing of learnings. Learning objectives include (1) learn about the vision of national-scale shared development platform for process-product innovation on integrated mechanical pod solutions and how to get involved, (2) gain an understanding of the components of an all-electric, high performance home, design characteristics and equipment included in an all-electric mechanical pod, integration of mechanical systems within a modular factories’ assembly line, and the system’s commissioning, operation and maintenance. The pre-planning and coordination with the factory and sub-contractors are also highlighted, (3) gain an understanding of using process modeling tools to quantify resource-constrained performance of operations (such as integration of energy efficiency strategies) to manufacture modules of varying design, (4) gain insights on virtual design, rapid prototyping, and emulated testing of various form factors across different climatic conditions. The need for such preliminary testing with open source sharing of learnings will also be highlighted.

30 DIRECT ENERGY CONVERSION↗

Evaluating cross-sectoral impacts of climate change and adaptations on the energy-water nexus: a framework and California case study

Abstract Electricity and water systems are inextricably linked through water demands for energy generation, and through energy demands for using, moving, and treating water and wastewater. Climate change may stress these interdependencies, together referred to as the energy-water nexus, by reducing water availability for hydropower generation and by increasing irrigation and electricity demand for groundwater pumping, among other feedbacks. Further, many climate adaptation measures to augment water supplies—such as water recycling and desalination—are energy-intensive. However, water and electricity system climate vulnerabilities and adaptations are often studied in isolation, without considering how multiple interactive risks may compound. This paper reviews the fragmented literature and develops a generalized framework for understanding these implications of climate change on the energy-water nexus. We apply this framework in a case study to quantify end-century direct climate impacts on California’s water and electricity resources and estimate the magnitude of the indirect cross-sectoral feedback of electricity demand from various water adaptation strategies. Our results show that increased space cooling demand and decreased hydropower generation are the most significant direct climate change impacts on California’s electricity sector by end-century. In California’s water sector, climate change impacts directly on surface water availability exceed demand changes, but have considerable uncertainty, both in direction and magnitude. Additionally, we find that the energy demands of water sector climate adaptations could significantly affect California’s future electricity system needs. If the worst-case water shortage occurs under climate change, water-conserving adaptation measures can provide large energy savings co-benefits, but other energy-intensive water adaptations may double the direct impacts of climate change on the state’s electricity resource requirement. These results highlight the value of coordinated adaptation planning between the energy and water sectors to achieve mutually beneficial solutions for climate resilience.

54 ENVIRONMENTAL SCIENCES↗