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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

CO oxidation over a ligand coordinated single site Rh catalyst: identification of the active complex

Single atom catalysis has evolved as a promising strategy to enhance atom utilization efficiency, lower reaction temperatures, and control reaction pathways in heterogeneous catalytic reactions. An important challenge using supported single atom catalysts is the stability of metal single atoms during reactions. Here, we present an approach to stabilize single rhodium atoms on a titania support via a metal–ligand coordination strategy. We explore the reaction activity and mechanism of CO oxidation, as well as the stability under oxidative reaction conditions. Kinetic studies suggest that, with an excess of oxygen in the feed gas, oxygen activation is more facile on defective titania surfaces than on pristine titania surfaces. In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) analysis shows that on the pristine titania surface, the 1,10-phenanthroline-5,6-dione (PDO) coordinated Rh catalyst (Rh–PDO/TiO 2 ) catalyzes CO oxidation via the formation of carbonate-like species, which is similar to what occurs on Rh nanoparticle catalysts. However, on the defective titania surface, no carbonate species form for Rh–PDO/def-TiO 2 . The supported Rh–ligand catalysts are also shown to be very stable in such a reaction environment at elevated temperatures, potentially allowing for wide applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Geometry optimization speedup through a geodesic approach to internal coordinates

We present a new geodesic-based method for geometry optimization in a basis set of redundant internal coordinates. Overall, our method updates the molecular geometry by following the geodesic generated by a displacement vector on the internal coordinate manifold, which dramatically reduces the number of steps required to converge to a minimum. Our method can be implemented in any existing optimization code, requiring only implementation of derivatives of the Wilson B-matrix and the ability to numerically solve an ordinary differential equation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Boron coordination change in barium borate melts and glasses and its contribution to configurational heat capacity, entropy, and fragility

High-energy x-ray diffraction from molten and glassy BaB 2 O 4 and BaB 4 O 7 has been performed using aerodynamic levitation and laser heating over a wide range of temperatures. Remarkably, even in the presence of a heavy metal modifier dominating x-ray scattering, it was possible to extract accurate values for the tetrahedral, sp 3 , boron fraction, N 4 , which declines with increasing temperature, using bond valence-based mapping from the measured mean B–O bond lengths while accounting for vibrational thermal expansion. These are used within a boron-coordination-change model to extract enthalpies, ΔH, and entropies, ΔS, of isomerization between sp 2 and sp 3 boron. The results for BaB 4 O 7 , ΔH = 22(3) kJ mol -1 boron, ΔS = 19(2) J mol -1 boron K -1 , agree quantitatively with those found previously for Na 2 B 4 O 7 . Analytical expressions for N 4 (J, T) and associated configurational heat capacity, $C_{P}^{conf}$(J, T), and entropy, S conf (J, T), contributions are extended to cover a wide composition range 0 ≤ J = BaO/B 2 O 3 ≤ 3 using a model for ΔH(J) and ΔS(J) derived empirically for lithium borates. Maxima in the $C_{P}^{conf}$(J, T g ) and fragility index contributions are thereby predicted for J ≲ 1, higher than the maximum observed and predicted in N 4 (J, T g ) at J ≃ 0.6. We discuss the utility of the boron-coordination-change isomerization model in the context of borate liquids containing other modifiers and the prospect of neutron diffraction to aid in empirical determinations of modifier-dependent effects, illustrated by new neutron diffraction data on Ba 11 B 4 O 7 glass, its well-known α-polymorph, and lesser-known δ-phase.

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

Computation of generalised magnetic coordinates asymptotically close to the separatrix

Integrals to calculate generalised magnetic coordinates from an input magnetic flux function asymptotically close to the separatrix are presented, and implemented in the GPEC/DCON code suite. These integrals allow characterisation of the magnetic equilibrium of a diverted tokamak, in magnetic coordinates, arbitrarily close to the last closed flux surface, avoiding the numerical issues associated with calculating diverging field-line integrals near a magnetic x-point. Finally, these methods may assist ongoing efforts to develop robust asymptotic equilibrium behaviour for spectral 3D MHD codes at the separatrix.

equilibrium edge truncation↗
DOE OSTI2024

Structural characterization of a new samarium–sodium heterometallic coordination polymer

Lanthanide-containing materials are of interest in the field of crystal engineering because of their unique properties and distinct structure types. In this context, a new samarium–sodium heterometallic coordination polymer, poly[tetrakis(μ 2 -2-formyl-6-methoxyphenolato)samarium(III)sodium(I)], {[SmNa(C 8 H 7 O 3 ) 4 ]·solvent} n ( Sm-1 ), was synthesized and crystallized via slow evaporation from a mixture of ethanol and acetonitrile. The compound features alternating Sm III and Na I ions, which are linked by ortho -vanillin ( o -vanillin) ligands to form a mono-periodic chain-like coordination polymer. The chains propagate along the [001] direction. Residual electron density of disordered solvent molecules in the void space could not be reasonably modeled, thus the SQUEEZE function was applied. The structural, vibrational, and optical properties are reported.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Dynamic Economic Dispatch Considering Transmission–Distribution Coordination and Automatic Regulation Effect

With the rapid increase of renewable energy sources, the variability and uncertainty in power systems are significantly increased, and the power system operation is facing more and more challenges. In the traditional dynamic economic dispatch (DED) of transmission systems, the frequency and voltage regulation effects are not actively utilized. In addition, the transmission systems and distribution systems are optimized separately; the transmission–distribution coordination effect is not considered. In this article, a new DED is proposed. The optimal scheduling results are obtained by making a balance between operating cost and reliability cost. Both the automatic regulation effect and transmission–distribution coordination effect are explored and exploited in terms of the equivalent reserve, which can reduce the reserve provided by generating units, and can further enhance the security and economics of power system operation. The validity and effectiveness of the proposed model are illustrated by case studies.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Distribution Feeder-Scale Fast Frequency Response via Optimal Coordination of Net-load Resources Part I: Solution Design

This work is the first of a two-part series that develops and experimentally demonstrates a first-of-its-kind hierarchical control solution for optimally dispatching thousands of deferrable loads and distributed energy resources (DERs) across a distribution feeder to provide fast frequency response (FFR) within 500 ms to the bulk power system. This approach rapidly coordinates resources online after a frequency event occurs, allowing fast-changing, behind-the-meter (BTM) resources to be incorporated and aggregate FFR power set points to be achieved more quickly and accurately than existing approaches. We also present a solution for determining the optimal amount of headroom to operate solar inverters with to minimize opportunity cost while ensuring the FFR response viability of a building with the inverter and deferrable loads. In Part I, we develop practical algorithms for fast, cost-based optimal dispatch at multiple aggregation scales (single building, multiple buildings, and full distribution feeder), establish their optimality, and demonstrate via simulation that they are faster than state-of-the-art, coordinated frequency response approaches. In Part II, the entire platform is implemented and experimentally verified using a unique power hardware-in-the-loop demonstration, including more than 100 powered loads and DERs connected to a real-world distribution network model and over 10,000 net-load resources dispatched.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Evaluation of Aggregated EV Flexibility With TSO-DSO Coordination

Electric vehicles (EVs) are becoming a promising source of grid ancillary services due to the temporal and spatial charging flexibility, quick response and storage capability. Such advantages are increasing with government policy promotion and technology improvement. However, the exploration of EV flexibility requires the coordination of both transmission system operators (TSOs) and distribution system operators (DSOs), to ensure the safe and reliable operation of power network. In this paper, we propose a coordinated evaluation method that determines the optimal utilization of EV temporal flexibility without compromising EV owners’ usage. At the distribution level, DSOs first evaluate EV aggregators’ operational boundaries to exploit distribution level services. At the transmission level, TSOs then determine EV charging schedules and ancillary service capacity simultaneously, taking into account the requirement from DSOs. Here, we validate the model in a case study using the IEEE 123 node test feeder and EV charging sessions obtained from a transportation simulation tool that uses real-world data.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2018

IAEA Coordinated Research Project on HTGR Physics, Thermal-Hydraulics, and Depletion Uncertainty Analysis Prismatic HTGR Benchmark Specification: Phase II

In February 2009, the Technical Working Group on Gas Cooled Reactors of the International Atomic Energy Agency (IAEA) recommended that the proposed Coordinated Research Project (CRP) on the High-Temperature Gas Cooled Reactor (HTGR) Uncertainty Analysis in Modeling (UAM) be implemented. This CRP is a continuation of the previous IAEA and Organisation for Economic Cooperation and Development (OECD)/Nuclear Energy Agency (NEA) international activities on verification and validation of available analytical capabilities for HTGR simulation for design and safety evaluations. Within the framework of these activities different numerical and experimental benchmark problems were performed, and insight was gained about specific physics phenomena and the adequacy of analysis methods. Because the prismatic design specification included in this report is based directly on the OECD/NEA Modular HTGR (MHTGR) 350 MW benchmark, participants in both activities can leverage their core models developed for the OECD/NEA benchmark for this CRP benchmark with only minor changes. The CRP on the HTGR UAM Phase II specifications is also directly linked to the Phase I specification document, since the core models required for Phase II exercises are constructed using the lattice models and cross-section libraries developed for Phase 1. It was decided at the Third Research Coordination Meeting (RCM) in May 2017 that the initial scope of CRP activities will be reduced to match the formally approved remaining contract period (June 2019), as well as limited funding and resource availability. A summary of the revised Phases I–IV exercise definitions is provided here.

42 ENGINEERING↗
DOE OSTI2017

Coordinated Control of Wind Turbine and Energy Storage System for Reducing Wind Power Fluctuation

This paper proposes a method for the coordinated control of a wind turbine and an energy storage system (ESS). Because wind power (WP) is highly dependent on wind speed, which is variable, severe stability problems can be caused in power systems, especially when the WP has a high penetration level. To solve this problem, many power generation corporations or grid operators have begun using ESSs. An ESS has very quick response and good performance for reducing the impact of WP fluctuation; however, its installation cost is high. Therefore, it is important to design the control algorithm by considering both the ESS capacity and WP fluctuation. Thus, we propose a control algorithm to mitigate the WP fluctuation by using the coordinated control between the wind turbine and the ESS by considering the ESS capacity and the WP fluctuation. Using de-loaded control, according to the WP fluctuation and ESS capacity, we can expand the ESS lifespan and improve grid reliability by avoiding the extreme value of state of charge (SoC) (i.e., 0 or 1 pu). The effectiveness of the proposed method was validated via MATLAB/Simulink by considering a small power system that includes both a wind turbine generator and conventional generators that react to system frequency deviation. We found that the proposed method has better performance in SoC management, thereby improving the frequency regulation by mitigating the impact of the WP fluctuation on the small power system.

17 WIND ENERGY↗
NASA NTRS1965

Dipolar coordinates

Derivation of dipolar coordinates and basic vector formulas in dipolar coordinate system - application to magnetohydrodynamic problems

VECTOR↗
NASA NTRS2002

Coordination challenges for autonomous spacecraft

While past flight projects involved a single spacecraft in isolation, over forty proposed future missions involve multiple coordinated spacecraft. This paper presents characteristics of such missions in terms of properties of the phenomena being measured as well as the rationale for using multiple spacecraft. We describe the coordination problems associated with operating these missions and identify needed technologies.

multiple agents coordination planning scheduling M↗
NASA NTRS1996

Marching Cubes in Cylindrical and Spherical Coordinates

Isosurface extraction is a common analysis and visualization technique for three-dimensional scalar data. Marching Cubes is the most commonly-used algorithm for finding polygonal representations of isosurfaces in such data. We extend Marching Cubes to produce geometry for data sets that lie in spherical and cylindrical coordinate systems as well as show the steps for derivation of transformations for other coordinate systems.

techniques marching cubes isosurfaces coordinate s↗
NASA NTRS2004

Argumentation for coordinating shared activities

an increasing need for space missions to be able to collaboratively (and competitively) develop plans both within and across missions. In addition, interacting spacecraft that interleave onboard planning and execution must reach consensus on their commitments to each other prior to execution. In domains where missions have varying degrees of interaction and different constraints on communication and computation, the missions will require different coordination protocols in order to efficiently reach consensus with in their imposed deadlines. We describe a Shared Activity Coordination (SHAC) framework that provides a decentralized algorithm for negotiating the scheduling of shared activities over the lifetimes of multiple agents and a foundation for customizing protocols for negotiating planner interactions. We investigate variations of a few simple protocols based on argumentation and distributed constraints satisfaction techniques and evaluate their abilities to reach consistent solutions according to computation, time, and communication costs in an abstract domain where spacecraft propose joint measurements.

Mars↗
NASA NTRS2003

Continual coordination through shared activities

Interacting agents that interleave planning and execution must reach consensus on their commitments to each other. In domains where agents have varying degrees of interaction and different constraints on communication and computation, agents will require different coordination protocols in order to efficiently reach consensus in real time. We briefly describe a largely unexplored class of realtime, distributed planning problems (inspired by interacting spacecraft missions), new challenges they pose, and a general approach to solving the problems. These problems involve self-interested agents that have infrequent communication but collaborate on joint activities. We describe a Shared Activity Coordination (SHAC) framework that provides a decentralized algorithm for negotiating the scheduling of shared activities over the lifetimes of separate missions, a soft, real-time approach to reaching consensus during execution with limited communication, and a foundation for customizing protocols for negotiating planner interactions. We apply SHAC to a realistic simulation of interacting Mars missions and illustrate the simplicity of protocol development.

planning↗
NASA NTRS2003

Shared Activity Coordination

Interacting agents that interleave planning and execution must reach consensus on their commitments to each other. In domains where agents have varying degrees of interaction and different constraints on communication and computation, agents will require different coordination protocols in order to efficiently reach consensus in real time. We briefly describe a largely unexplored class of real-time, distributed planning problems (inspired by interacting spacecraft missions), new challenges they pose, and a general approach to solving the problems. These problems involve self-interested agents that have infrequent communication but collaborate on joint activities. We describe a Shared Activity Coordination (SHAC) framework that provides a decentralized algorithm for negotiating the scheduling of shared activities in a dynamic environment, a soft, real-time approach to reaching consensus during execution with limited communication, and a foundation for customizing protocols for negotiating planner interactions. We apply SHAC to a realistic simulation of interacting Mars missions and illustrate the simplicity of protocol development.

coordination↗
NASA NTRSDate not supplied

Effects of Communication Modality on Pilot-Controller Coordination during a Simulated m:N Operation

The last decade or so has seen growing interest in new control paradigms and concepts of operation for uncrewed aircraft systems (UAS) in which multiple aircraft are piloted remotely by a single or relatively small number of people. Referred to as “one-to-many” and “many-to- many” (alternatively, “multi-operator, multi-vehicle”)—and frequently expressed as the corresponding ratios, 1:N and m:N—such novel configurations of aircraft and the people who manage them are seen as critical to the path to future operations involving UAS. Examples of industry domains interested in these control paradigms are small package delivery services utilizing small UAS and passenger-carrying, short-range “Urban Air Mobility” (UAM) operations. Stakeholders in such operations have identified communication and coordination of flight activity with air traffic controllers (ATC) as a barrier to operations. In contrast to present-day flight operations, in which a pilot communicates with one ATC on one radio frequency for one aircraft, multi-vehicle operations potentially entail a significant increase in pilot task load for management of comms. New concepts, such as UAS Service Suppliers (USSs) and Providers of Services to UAM (PSUs), have been proposed to address the known bottleneck for Air Traffic Management (ATM) presented by multi-vehicle operations. While progress has been steadily made over years developing USSs and PSUs, it is generally expected that initial UAM operations will rely on traditional voice-over-radio communication with ATC for purposes of ATM. The current study was a human-in-the-loop simulation that had participants, each possessing a Private Pilot License, act as the ground-based pilot-in- command for multiple vehicles in a hypothetical UAM service in the San Francisco Bay Area. The experiment utilized a 2-by-3, within-subjects design in which the pilot’s Vehicle Load (4 vs. 12) and Comm System (Voice, Datalink, and a Hybrid) were manipulated. The task given to pilots was to use the Comm System to coordinate flight activity for all aircraft with appropriate controllers, having to obtain departure and arrival clearances at “vertiport” facilities and transition clearances for any intermediate airspaces along the route. Pilots were additionally responsible for compliance with vectoring instructions issued by ATC. Subjective workload questionnaires (NASA-TLX) were administered following each experimental trial. Screen recordings of the pilot’s Ground Control Station (GCS) and audio recordings of trials were subsequently coded to obtain performance metrics: response times and error rates. Presented in this paper are results related to pilot responses to vectoring instructions issued by ATC. Workload was found to be significantly higher in the 12-Vehicle condition compared to the 4-Vehicle condition, nearly maxing out the NASA-TLX overall workload scale. There was no significant difference made by the Comm System on workload ratings. Pilots’ response times to communications were fastest in the Voice condition, although overall “service time” for compliance was shorter in Datalink and Hybrid conditions in most cases. Errors by pilots were frequent in both Vehicle Load conditions, most perniciously when using the Voice system. The results of this study suggest tradeoffs in advantages and disadvantages of the three comm systems. Recommendations for communication system design are provided taking the tradeoffs into account.

urban air mobility↗
DOE OSTI2022

Grid-Interactive Electric Vehicle and Building Coordination Using Coupled Distributed Control: Preprint

As an increasing number of controllable devices are introduced onto the grid, they can individually provide ancillary services in support of grid stability. However, the goals of each device differ due to their type and individual objectives, causing instances where they may conflict. To reduce the chances of these devices contributing to grid instability, these devices must effectively communicate in a cooperative manner to both meet their own needs while providing services to the grid. Previous work demonstrates that the NALD (Network Lasso-ADMM - Limited Communication - DMPC) algorithm allows coordination between two subsystems that use different control algorithms (building and charging stations) to provide services to the grid and individually optimize their performance in a specific scenario. The ideal NALD algorithm should be generalized to allow plug-and-play capabilities across devices of differing characteristics. This paper takes a step toward generalizability by updating the electric vehicle charging objective and re-defining the communication scheme compared to prior work to generalize the coordination and, as a result, improve the performance of the NALD algorithm.

ADVANCED PROPULSION SYSTEMS,ENERGY CONSERVATION, C↗