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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Quantifying Outer- and Inner-Coordination Sphere Effects Using Uranium Redox Chemistry in Molten Salt Solutions

Defining the relative influence of intramolecular and intermolecular forces is a fundamental problem in chemistry that is difficult to quantify. To address this challenge, we developed a method to evaluate the relative impact of direct chemical bonding in the inner-coordination sphere vs effects from cations in the outer-coordination sphere by comparative analysis of uranium redox reactivity in various molten salts. We observed that outer-coordination sphere cations (M 1+ ) and inner-coordination sphere anions (X 1– ) both affected uranium redox reactivity, with more polarizing M 1+ and larger X 1– favoring uranium in low oxidation states. Changing M 1+ (Li, Na, K) shifted the U IV + e 1– ⇌ U III (U IV/III ) and U III + 3e 1– → U 0 metal potentials by +330 and +240 mV, respectively. Changing X 1– (Cl, Br, I) caused larger shifts of +440 mV for the U IV/III redox potential and +1060 mV for the U 0 metal deposition potential. Using Coulomb’s Law, we correlated these potentials with electrostatic interactions between UIII and the molten salt. This model provided a facile way of predicting redox chemistry within molten salts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Modulating coordinate site occupancy in high-entropy spinel electrocatalysts

High entropy spinel oxides provide a versatile platform for electrocatalysis because multiple metal cations can be incorporated into a single crystalline lattice, enabling tunable electronic structures. However, controlling how these cations distribute between tetrahedral and octahedral coordination sites remains a major challenge, limiting rational catalyst design. Here, we modulate cation coordination site occupancy between tetrahedral and octahedral sites in a Co–Fe–Cr–Mn–Ni framework by introducing a sixth cation (Zn, Ga, Mg, or Al) with distinct site preference energies. Using density functional theory, synchrotron X-ray absorption spectroscopy, and magnetic circular dichroism, we demonstrate that Zn preferentially occupies tetrahedral sites, driving increased octahedral occupancy of cobalt. This redistribution increases the population of octahedrally coordinated cobalt in mixed oxidation states, enhances electrical conductivity, and improves oxygen evolution reaction activity. Our findings establish coordination site occupancy as a critical design parameter, providing a strategic pathway for tailoring multicomponent spinel electrocatalysts with optimized performance.

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

Q -score as a reliability measure for protein, nucleic acid and small-molecule atomic coordinate models derived from 3DEM maps

Atomic coordinate models are important for the interpretation of 3D maps produced with cryoEM and cryoET (3D electron microscopy; 3DEM). In addition to visual inspection of such maps and models, quantitative metrics can inform about the reliability of the atomic coordinates, in particular how well the model is supported by the experimentally determined 3DEM map. A recently introduced metric, Q-score, was shown to correlate well with the reported resolution of the map for well fitted models. Here, we present new statistical analyses of Q-score based on its application to ∼10 000 maps and models archived in the EMDB (Electron Microscopy Data Bank) and PDB (Protein Data Bank). Further, we introduce two new metrics based on Q-score to represent each map and model relative to all entries in the EMDB and those with similar resolution. We explore through illustrative examples of proteins, nucleic acids and small molecules how Q-scores can indicate whether the atomic coordinates are well fitted to 3DEM maps and also whether some parts of a map may be poorly resolved due to factors such as molecular flexibility, radiation damage and/or conformational heterogeneity. These examples and statistical analyses provide a basis for how Q-scores can be interpreted effectively in order to evaluate 3DEM maps and atomic coordinate models prior to publication and archiving.

B factors↗
DOE OSTI2024

Optimal Coordination of Electric Vehicles for Grid Services using Deep Reinforcement Learning

Recent research has shown the effectiveness of reinforcement learning (RL) in coordinating electric vehicles (EVs) with vehicle-to-grid capabilities for grid services. However, many of these studies rely on lookup table and deep Q-network techniques, which can be impractical when dealing with continuous states and actions. In addition, existing RL designs inadequately account for battery aging effects, EV user satisfaction, uncertain departure and arrival time, and trip distance, which may compromise effective coordination. This paper aims to bridge these gaps by developing an innovative deep deterministic policy gradient-based RL framework for optimal coordination of EVs. Case studies were carried out using a test system with 100 EVs, and numerical analysis results showed that the proposed RL framework can effectively coordinate EVs to maximize economic benefits and user satisfaction while ensuring the expected battery lifespan.

Das, Avijit↗
DOE OSTI2024

TrustDER: Trusted, Private and Scalable Coordination of Distributed Energy Resources

In this project, the Stanford and SLAC Teams have developed a Trusted, Private and Scalable platform for coordinating Coordination of Distributed Energy Resources (TrustDER). This is a layered system that ensures private, trusted and scalable coordination and monitoring of DERs. It accommodates a variety of resources, such as solar generation, gensets and loads, with a particular focus on battery systems-based resources, as they are a transformational technology experiencing fast growth in adoption by large critical facilities. The platform can be used as standalone or added to existing aggregation systems to enable trust, privacy and resilience. TrustDER consists of layers that address each of the shortcomings of the existing state of the art. Each layer in the platform can operate independently but provides information to the layers above it to enable a novel form of overall coordination architecture. The project consists of several tasks, with each task dedicated to the design of each layer. Task 2 Resource Virtualization defined a software abstraction layer for distributed energy resources (DERs). The goal of this abstraction was to simplify the implementation of algorithms utilizing cooperation of DERs resources in a variety of use cases. Task 3 is on Secure ID for Asset Authentication. Identity Management Systems (IDMS) are a foundational infrastructure for interactions between entities (organizations, users, devices, and services). Secure ID is blockchain-based a distributed identity management system allowing (1) identity provisioning, (2) authentication, (3) authorization, and (4) identity data sharing for IoT-enabled assets on the electricity grid. In this project, the SLAC team focused on designing and testing Keymaker, a protocol for authenticating device identity managed by Secure ID. Task 5 Private and Safe Integration is focused on the design and evaluation of a DER cooperation scheme which allows for the aggregation of DERs without impacting network reliability. The approach is designed based on realistic assumptions regarding data availability, communication infrastructure limitations, and privacy. Task 6 Scalable Distributed Privacy for Information explored how virtualized batteries could be managed privately. Specifically, it examined the case in which a principal provides a partitioned battery to multiple clients. Task 7 Use Cases was to ensure that this technology was applied in relevant situations and scenarios. Primarily, this means that virtualization needed to be employed in a manner that either improved flexibility, bolstered security or privacy, or decreased costs.

25 ENERGY STORAGE↗
DOE OSTI2024

Innovating the next generation of commercial smart building software

Nearly 30% of commercial building energy use is wasted due to equipment faults and HVAC controls problems. The result is increased emissions, compromised comfort and productivity, and less reliable coordination of building power needs with a clean grid. The energy impact alone represents $17 billion in potential savings. Today’s smart building software provides a robust solution to address these operational deficiencies. Energy management and information systems (EMIS) are saving up to 9% on average, with two-year paybacks. They are being incorporated into energy management processes, commissioning services, and utility programs. As effective as they are, two barriers prevent even deeper benefits; limited personnel to fix problems once they are identified, and the expense and time to manually implement changes in control systems. In partnership with the research community, the EMIS industry is developing new capabilities to overcome these barriers. Moving beyond siloed products for either fault detection and diagnostics, or optimal control, these new capabilities empower users to not only automatically identify faults, but also to push corrective action, and control improvements to their buildings. In this paper, several areas for enhancements are documented: ‘one-time’ correction of faults such as setpoints, schedules, and economizer lockouts; short-term active testing for automated proportional integral derivative (PID) loop tuning and functional testing; and continuous supervisory control for demand flexibility and year-round efficiency. Results are presented from a pair of partner implementations out of a dozen providers integrating these enhancements into their products, including field tests from across the country, and insights into operator acceptance and integration into operations and maintenance practices.

Casillas, Armando↗
NASA NTRS1972

The effects of tracking station coordinate uncertainties on GEOS-2 orbital accuracy

Laser and minitrack observational data from GEOS-2 collected during the period April 23, 1971 to May 1971, have been used for the purpose of assessing the influence of tracking station location on the accuracy of orbit determination. These data were processed using a unified set of coordinates for the tracking station locations. Concurrently, these data were processed using nonunified station locations referred to a variety of geodetic datums. The resultant orbits based on the two different sets of station locations were compared and relative differences in the position of the satellite were determined. Differences between the two groups of orbits fitted over four-day data spans ranged from 250 meters to 500 meters for orbits derived from laser data only. For orbits observed from Minitrack data alone the relative differences in GEOS-2 spacecraft position ranged from 50 meters to 190 meters. Utilizing the laser data alone in each arc, definitive orbits were computed using the unified and nonunified station location coordinates. The differences in the satellite position in the overlap region when using the unified laser station coordinates ranged from 25 meters to 150 meters, whereas when using the nonunified laser station coordinates the differences in position ranges from 180 to 650 meters.

Glazer, J.↗
NASA NTRS1972

Large-deformation modal coordinates for nonrigid vehicle dynamics

The derivation of minimum-dimension sets of discrete-coordinate and hybrid-coordinate equations of motion of a system consisting of an arbitrary number of hinge-connected rigid bodies assembled in tree topology is presented. These equations are useful for the simulation of dynamical systems that can be idealized as tree-like arrangements of substructures, with each substructure consisting of either a rigid body or a collection of elastically interconnected rigid bodies restricted to small relative rotations at each connection. Thus, some of the substructures represent elastic bodies subjected to small strains or local deformations, but possibly large gross deformations, in the hybrid formulation, distributed coordinates referred to herein as large-deformation modal coordinates, are used for the deformations of these substructures. The equations are in a form suitable for incorporation into one or more computer programs to be used as multipurpose tools in the simulation of spacecraft and other complex electromechanical systems.

Likins, P. W.↗
NASA NTRS1973

COSPAR, IAU, LSI Colloquium on Lunar Dynamics and Observational Coordinate Systems: Revised abstracts

The proceedings of a colloquium on lunar dynamics and observational coordinate systems are presented. Discussions were held on the establishment of a fundamental reference system and on the lunar ephemerides. Abstracts of the subjects discussed at the meeting are submitted. Some of the topics discussed are: (1) coordinates of the Apollo retroreflectors, (2) determination of lunar baselines, (3) numerical series for the variations of lunar coordinates, (4) fundamental craters for establishing a lunar coordinate system, and (5) composite lunar gravity fields.

Moutsoulas, M.↗
NASA NTRS1973

Coordinated adaptive filters for motion simulators.

A new approach to providing motion drive signals to a flight simulator utilizing coordinated adaptive filters is presented. Some motivation for the use of coordinated washout is discussed, along with conditions that determine the burden of coordination. The coordinated adaptive filters are derived, based on continuous steepest descent, and the application of the filters to simulated flight data is demonstrated.

Parrish, R. V.↗
NASA NTRS1973

Transformation between orbital parameters in different coordinate systems of the general relativistic Schwarzschild problem.

The relationships between the osculating orbital elements for a family of solutions of the general relativistic Schwarzschild problems are developed. These relationships provide a method for evaluating orbital elements in different Schwarzschild coordinate systems without the necessity of fitting to real data every time the system of coordinates is changed. The objectivity of different coordinate systems is discussed. Considerations of orbital motions favor the standard Schwarzschild metric, but the propagation of light signals is more objective in the metric of Painleve. Because the orbital motions usually dominate the representation of data, the standard Schwarzschild coordinates are the best objective choice for most applications.

Georgevic, R. M.↗
NASA NTRS1973

Correlation of ERTS MSS data and earth coordinate systems

The author has identified the following significant results. Experience has revealed a problem in the analysis and interpretation of ERTS-1 multispectral scanner (MSS) data. The problem is one of accurately correlating ERTS-1 MSS pixels with analysis areas specified on aerial photographs or topographic maps for training recognition computers and/or evaluating recognition results. It is difficult for an analyst to accurately identify which ERTS-1 pixels on a digital image display belong to specific areas and test plots, especially when they are small. A computer-aided procedure to correlate coordinates from topographic maps and/or aerial photographs with ERTS-1 data coordinates has been developed. In the procedure, a map transformation from earth coordinates to ERTS-1 scan line and point numbers is calculated using selected ground control points nad the method of least squares. The map transformation is then applied to the earth coordinates of selected areas to obtain the corresponding ERTS-1 point and line numbers. An optional provision allows moving the boundaries of the plots inward by variable distances so the selected pixels will not overlap adjacent features.

Malila, W. A.↗
NASA NTRS1974

Coordinate systems for the space shuttle program

A minimal set of well defined coordinate systems necessary for the interchange of data within the space shuttle program is presented. The document format consists of four parts: (1) a list of the subscripts identifying the coordinate systems, (2) a glossary explaning the terms used within the coordinate system definitions, (3) figures defining, both graphically and verbally, each coordinate system, and (4) an appendix (published separately) showing the relationships (transformations) between similar systems.

Davis, L. D.↗
NASA NTRS1973

Correlation of ERTS MSS data and earth coordinate systems

Experience has revealed a problem in the analysis and interpretation of ERTS multispectral scanner (MSS) data. The problem is one of accurately correlating ERTS MSS pixels (picture elements) with analysis areas specified on aerial photographs or topographic maps for training recognition computers and/or evaluating recognition results. A computer-aided procedure to correlate coordinates from topographic maps and/or aerial photographs with ERTS data coordinates has been developed. In the procedure, a map transformation from earth coordinates to ERTS scan line and point numbers is calculated using selected ground control points and the method of least squares. The map transformation is then applied to the earth coordinates of selected areas to obtain the corresponding ERTS point and line numbers.

Malila, W. A.↗
NASA NTRS1974

Conservation equations of gasdynamics in curvilinear coordinate systems

Description of a new method of writing the conservation equations of gasdynamics in curvilinear coordinates which eliminates undifferentiated terms. It is thus possible to readily apply difference schemes derived for Cartesian coordinates which conserve mass, momentum, and energy in the total flow field. The method is derived for orthogonal coordinates, and then extended to cover the most general class of coordinate transformations, using general tensor analysis. Several special features of the equations are discussed.

Vinokur, M.↗
NASA NTRS1975

Some notions of decentralization and coordination in large-scale dynamic systems

Some notions of decentralization and coordination in the control of large-scale dynamic systems are discussed. Decentralization and coordination have always been important concepts in the study of large systems. Roughly speaking decentralization is the process of dividing a large problem into subproblems so that it can be handled more easily. Coordination is the manipulation of the subproblem so that the original problem is solved. The various types of decentralization and coordination that have been used to control dynamic systems are discussed. The emphasis was to distinguish between on-line and off-line operations to understand the results available by indicating the aspects of the problem which are decentralized.

Chong, C. Y.↗
NASA NTRS1974

Multilateration - A nondegenerate method of obtaining station coordinates and satellite ephemerides

A technique for the determination of three-dimensional station coordinates and satellite ephemerides is developed which is based on the principle of multilateration. The method makes use of a system of six ground stations which simultaneously measure the slant range between each station and one or two satellites. It is demonstrated that a minimum of six stations is required in order to yield a system which will be free of mathematical degeneracies. It will be seen that the method of multilateration is not dependent upon the position of the satellite or any other dynamical considerations in the equations used to determine the relative station coordinates. In fact, the satellite coordinates are obtained as a direct by-product of the method. Numerical results are presented which indicate that the method of multilateration can determine the relative three-dimensional station coordinates with an accuracy that is limited only by the hardware measurement system. If a highly accurate laser ranging system is used, then accuracies in the 1-cm range can be expected.

Ong, K. M.↗
NASA NTRS1975

Use of numerically generated body-fitted coordinate systems for solution of the Navier-Stokes equations

A procedure for numerical solution of the time-dependent, two-dimensional incompressible Navier-Stokes equations that can treat the unsteady laminar flow about bodies of arbitrary shape, such as two-dimensional airfoils, multiple airfoils, and submerged hydrofoils, as naturally as it can deal with the flow about simple bodies. The solution is based on a method of automatic numerical generation of a general curvilinear coordinate system with coordinate lines coincident with all boundaries of a general multiconnected region containing any number of arbitrarily shaped bodies. The curvilinear coordinates are generated as the solution of two elliptical partial differential equations with Dirichlet boundary conditions, one coordinate being specified to be constant on each of the boundaries, and a distribution of the other being specified along the boundaries. The solution compares excellently with the Blasius boundary layer solution for the flow past a semiinfinite flat plate.

Thompson, J. F.↗