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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Comparison of multifidelity machine learning models for potential energy surfaces

Multifidelity modeling is a technique for fusing the information from two or more datasets into one model. It is particularly advantageous when one dataset contains few accurate results and the other contains many less accurate results. Within the context of modeling potential energy surfaces, the low-fidelity dataset can be made up of a large number of inexpensive energy computations that provide adequate coverage of the N-dimensional space spanned by the molecular internal coordinates. The high-fidelity dataset can provide fewer but more accurate electronic energies for the molecule in question. Here, we compare the performance of several neural network-based approaches to multifidelity modeling. We show that the four methods (dual, Δ-learning, weight transfer, and Meng–Karniadakis neural networks) outperform a traditional implementation of a neural network, given the same amount of training data. We also show that the Δ-learning approach is the most practical and tends to provide the most accurate model.

Chemistry↗
DOE OSTI2022

Emulation Framework for Distributed Large-Scale Systems Integration

Recent trends in systems engineering include integration of very large-scale systems, which entails significant challenges when they are geographically dispersed. In these scenarios, intelligent integration of distributed large-scale systems requires significant coordination among hardware elements as well as all software components. The approach of integrated systems (both computing platform and experimental equipment) for end-to-end orchestration is called federation. Virtual frameworks can aid in the testing, assessment, and implementation of a functional system of interconnected resources. We present an emulation framework that replicates the software environments of multi-site federations of computing systems and instruments. Our emulation framework allows systems engineers to reduce developmentcost and avoid disruptions to production infrastructure. Our framework was effectively used to develop and test software modules for various tasks including container orchestration and instrument access. For performance assessment, however, the emulated framework is severely limited in providing accurate network and IO measurements at 10 Gbps and higher data rates. The data transfer performance profiles estimated using these emulated measurements are usually inaccurate for high bandwidth and high latency connections, since emulation does not accurately reflect the critical network transport dynamics.We utilize measurements from a physical testbed with hardware network emulators to obtain data transfer profiles that closely match the expected profiles for the emulated federations. We show the effectiveness of our approach by an illustrative example of integrated (federated) multi-site ultra large-scale systems that are connected via high speed wide area networks.

Imam, Neena↗
DOE OSTI2022

Impact of FERC Order 2222 on DER Participation Rules in US Electricity Markets

Electricity markets in the bulk grid are beginning to implement market mechanisms that support the procurement of flexible capabilities from wide range of technologies, including distributed energy resources (DERs). The flexibility of these resources will help counterbalance supply uncertainties from large-scale integration of variable renewable generation. To encourage development of distributed and aggregated market participants, FERC Order 2222 was issued in September 2020 to require each Independent System Operator (ISO) in the US to implement rules that enable broader participation from aggregations of DERs in the bulk market. The following paper first describes the generic design of ISO markets before introducing the new market participation rules that ISOs have proposed for compliance with Order 2222. The paper then describes how software performance issues may continue to affect the eligibility requirements and offer structures for DER aggregations participating in ISOs, noting that continued research on computational methods may help reduce burdens for DER integration. The prospects for transmission and distribution system coordination is second major issue discussed, which will require minor changes to existing processes in the short term. In the longer term, there is more opportunity for more wide-ranging reforms, such as the development of a Distribution System Operator (DSO) framework. Newly proposed market rules may affect how Transactive Energy Systems (TES) will help facilitate efficient formation of DER aggregations and operation of the individual DERs within an aggregation. Within the TES context, the challenge is to fully understand how resource eligibility and operational and planning coordination methods will affect the design and implementation of TES.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

The Transactive Energy Network Template Metamodel

While transactive energy, which is defined as an allocation of electricity based on dynamically discovered values or prices, has been extensively studied, its uptake and use has been slow. This report describes a tool, the transactive network template, which should hasten the creation and uptake of transactive energy networks. Some basic principles of transactive energy are familiar from existing wholesale electricity markets. Locational prices are calculated today for zones within bulk electric transmission systems. Locational prices differ while accounting for the locational costs of electricity generation and the losses and constraints incurred when electricity is transmitted from generators and distributed to consumers. A transactive energy network might include these transmission zones. However, current research strives to apply transactive energy also in electricity distribution circuits, buildings, and even for individual generating and consuming devices. At the same time, researchers explore how to apply transactive energy in real time during increasingly shorter time intervals. Automated computational agents become necessary as transactive energy becomes applied to smaller circuit zones and at faster dynamic timescales. A transactive energy network is an example of a multi-agent system. Each zone in the network is represented by its transactive agent, which makes decisions for and acts on behalf of a business entity that is responsible for and manages one of the circuit regions. A transactive energy network is also an example of a decentralized, distributed control system. Control decisions and responsibilities are distributed among the network’s transactive agents. The transactive agents are independent; that is, there typically is no centralized authority or oversight function. Instead, transactive agents exchange transactive signals and thereby negotiate the prices and quantities of electricity that they will exchange. Initially, the circuit regions and responsibilities of transactive agents appear to be very dissimilar. Each circuit region may comprise transmission, distribution, or building-level circuits. Each has a unique position and electrical connectivity within the transactive energy network. Each possesses unique assets that either generate or consume electricity, and these (e.g., renewable energy generator, diesel generator, aggregate utility load, building load, space conditioning, refrigerator, etc.) may further differ in their price flexibility and in their strategies for responding to dynamic electricity prices. Given such diversity, an implementer’s first inclination might be to start from scratch to define all these devices and to engineer their seemingly unique interactions. Given that each implementer’s perspective may be narrow within a transactive energy network, it is unlikely that uniquely engineered systems would interact well. This is where the transactive network template is applicable. The transactive network template is a metamodel that has been developed to guide implementers as they configure their own transactive agent within a network of such agents. The object-oriented design of the transactive network template provides basic code object types that may be used and extended by implementers to represent each of the assets in their circuit region. These objects further facilitate the transactive agent’s necessary computations, which are divided among responsibilities to schedule power usage, balance electric supply and demand, and coordinate the exchange of electricity with the other transactive agents. This report addresses the conceptual transactive network template design. Implementers are directed to more formal design documents and reference implementations. A Python™-based1 reference implementation of the transactive network template has been coded, and three implementations have been configured to represent a national laboratory and two university campuses. Version 2 of the transactive node template generalizes the market class and its methods to facilitate multiple, and more diverse market coordination mechanisms than were facilitated by and demonstrated using Version 1. Version 3 includes new Appendix B, which addresses the designs of methods that would make dynamic prices track approved electricity rates. In the future, the author wishes to make the transactive network template more generally applicable to networks that require more accurate power flow. Development of the transactive network template is jointly funded by the U.S. Department of Energy (DOE) Energy Efficiency and Renewable Energy and the DOE Office of Electricity. In late 2015, one of the first projects to be funded by the DOE Grid Laboratory Modernization Laboratory Consortium was the Clean Energy and Transactive Campus project, led by Pacific Northwest National Laboratory. DOE funds were matched by an investment by the Washington Department of Commerce through its Clean Energy Fund. The transactive network template was developed to guide the implementation of transactive energy networks within this project’s scope.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Challenges for Megawatt-Scale Artificial Intelligence Rack Infrastructure

As artificial intelligence (AI) computing densities continue to increase, industry is pursuing megawatt-scale rack architectures that require tightly coordinated advances in electrical power delivery, thermal management, operations, and infrastructure integration. This document summarizes the primary technical challenges for achieving this target.

Nawaz, Kashif [ORNL] (ORCID:0000000251612491)↗
NASA NTRS1972

Flow field predictions for a slab delta wing at incidence

Theoretical results are presented for the structure of the hypersonic flow field of a blunt slab delta wing at moderately high angle of attack. Special attention is devoted to the interaction between the boundary layer and the inviscid entropy layer. The results are compared with experimental data. The three-dimensional inviscid flow is computed numerically by a marching finite difference method. Attention is concentrated on the windward side of the delta wing, where detailed comparisons are made with the data for shock shape and surface pressure distributions. Surface streamlines are generated, and used in the boundary layer analysis. The three-dimensional laminar boundary layer is computed numerically using a specially-developed technique based on small cross-flow in streamline coordinates. In the rear sections of the wing the boundary layer decreases drastically in the spanwise direction, so that it is still submerged in the entropy layer at the centerline, but surpasses it near the leading edge. Predicted heat transfer distributions are compared with experimental data.

Conti, R. J.↗
NASA NTRS1972

Further analytical study of hybrid rocket combustion

Analytical studies of the transient and steady-state combustion processes in a hybrid rocket system are discussed. The particular system chosen consists of a gaseous oxidizer flowing within a tube of solid fuel, resulting in a heterogeneous combustion. Finite rate chemical kinetics with appropriate reaction mechanisms were incorporated in the model. A temperature dependent Arrhenius type fuel surface regression rate equation was chosen for the current study. The governing mathematical equations employed for the reacting gas phase and for the solid phase are the general, two-dimensional, time-dependent conservation equations in a cylindrical coordinate system. Keeping the simplifying assumptions to a minimum, these basic equations were programmed for numerical computation, using two implicit finite-difference schemes, the Lax-Wendroff scheme for the gas phase, and, the Crank-Nicolson scheme for the solid phase.

Hung, W. S. Y.↗
NASA NTRS1974

Attitude dynamics simulation subroutines for systems of hinge-connected rigid bodies

Several computer subroutines are designed to provide the solution to minimum-dimension sets of discrete-coordinate equations of motion for systems consisting of an arbitrary number of hinge-connected rigid bodies assembled in a tree topology. In particular, these routines may be applied to: (1) the case of completely unrestricted hinge rotations, (2) the totally linearized case (all system rotations are small), and (3) the mixed, or partially linearized, case. The use of the programs in each case is demonstrated using a five-body spacecraft and attitude control system configuration. The ability of the subroutines to accommodate prescribed motions of system bodies is also demonstrated. Complete listings and user instructions are included for these routines (written in FORTRAN V) which are intended as multi- and general-purpose tools in the simulation of spacecraft and other complex electromechanical systems.

Fleischer, G. E.↗
NASA NTRS1974

LST and supporting technology

In order to realize the LST objectives of high angular resolution, extended wavelength coverage and faint object detection, the performance of the instruments must be matched to that of the telescope. To insure that adequate technology is available by 1976, an intensive SR & T program has been initiated which builds on previous work and is coordinated with work in other agencies. The primary areas of concern are detectors, on-board computers, and ultraviolet optical components. In the last area grating work is being emphasized. The on-board computer will be necessary to allow pre-processing of raw data and enable detector operation in a pulse counting mode. For detectors, the SEC Vidicon development will be continued but the use of solid-state arrays in the electron bombarded mode and channel plate detectors are being seriously considered. One challenging problem is to provide 2 K cooling to permit ultra-sensitive IR observations to be made.

Sobieski, S.↗
NASA NTRS1975

Numerical solutions for inviscid supersonic corner flows

Analytical solutions for inviscid supersonic corner flows are virtually nonexistent due to the complexity of the interference geometry. In view of this, numerical solutions for compressive-compressive and expansive-compressive corner flows are obtained. The governing equations are written in strong conservation-law form and are solved iteratively in nonorthogonal conical coordinates by use of a second-order, shock-capturing, finite-difference technique. The computed wave structure and surface pressure distributions are compared with high Reynolds number (Re greater than 2,500,000 ft) experimental data. The results clearly show that the wave structure in the corner is dominated by the inviscid field.

Shankar, V. S. V.↗
NASA NTRS1975

Numerical solutions for supersonic corner flow

Analytical solutions for inviscid supersonic corner flows are virtually nonexistent due to the complexity of the interference geometry. In view of this, numerical solutions for swept-compressive and swept-expansive corner flows are obtained. The governing equations are written in strong conservation-law form and are solved iteratively in nonorthogonal conical coordinates by use of a second-order, shock-capturing, finite-difference technique. The computed wave structure and surface pressure distributions are compared with high Reynolds number experimental data and show very good agreement. The results clearly show that supersonic corner flow at reasonably high Reynolds numbers including the effect of sweep is dominated by the inviscid field.

Shankar, V.↗
NASA NTRS1975

On the interaction structure of linear multi-input feedback control systems

The closely-related problems of designing reliable feedback stabilization strategy and coordinating decentralized feedbacks are considered. Two approaches are taken. A geometric characterization of the structure of control interaction (and its dual) was first attempted and a concept of structural homomorphism developed based on the idea of 'similarity' of interaction pattern. The idea of finding classes of individual feedback maps that do not 'interfere' with the stabilizing action of each other was developed by identifying the structural properties of nondestabilizing and LQ-optimal feedback maps. Some known stability properties of LQ-feedback were generalized and some partial solutions were provided to the reliable stabilization and decentralized feedback coordination problems. A concept of coordination parametrization was introduced, and a scheme for classifying different modes of decentralization (information, control law computation, on-line control implementation) in control systems was developed.

Wong, P. K.↗
NASA NTRS1977

Efficient bit-error detecting code

Two highly reliable codes termed "Modified b-adjacent interleaving codes" provide fail-safe operation of launch processing and control system in which common memory is coordination point for interconnection of up to 64 minicomputers. Codes detect and correct bit errors in computer data transmission.

Hockenberger, R. W.↗
NASA NTRS1977

Boundary-fitted curvilinear coordinate systems for solution of partial differential equations on fields containing any number of arbitrary two-dimensional bodies

A method is presented for automatic numerical generation of a general curvilinear coordinate system with coordinate lines coincident with all boundaries of a general multi-connected two-dimensional region containing any number of arbitrarily shaped bodies. No restrictions are placed on the shape of the boundaries, which may even be time-dependent, and the approach is not restricted in principle to two dimensions. With this procedure the numerical solution of a partial differential system may be done on a fixed rectangular field with a square mesh with no interpolation required regardless of the shape of the physical boundaries, regardless of the spacing of the curvilinear coordinate lines in the physical field, and regardless of the movement of the coordinate system in the physical plane. A number of examples of coordinate systems and application thereof to the solution of partial differential equations are given. The FORTRAN computer program and instructions for use are included.

Thompson, J. F.↗
NASA NTRS1976

Single pass Doppler positioning for Search and Rescue satellite missions

This paper describes the implementation of beacon location experiments involving the NASA Nimbus-6 and the Amateur Satellite Corporation (AMSAT) Oscar-6 and Oscar-7 spacecraft. The purpose of these experiments is to demonstrate the feasibility of determining the geographical location of a low power VHF 'distress beacon' via satellite. Doppler data collected during satellite passes is reduced in a mini-computer by means of a simple algorithm resulting in the simultaneous recovery of the unknown receiver coordinates and the unknown Doppler bias frequency. Results indicate point positioning to within a few kilometers - which is within the required accuracies for the positioning of downed aircraft for Search/Rescue missions.

Schmid, P. E.↗
NASA NTRS1975

Metal-to-metal charge transfer transitions - Interpretation of visible-region spectra of the moon and lunar materials

Prominent bands in the spectral profiles of Fe-Ti phases in lunar samples have been attributed to charge-transfer transitions between Fe and Ti cations, and a model is presented for calculating charge transfer energies from energy levels computed by the SCF-X(alpha) scattered wave molecular orbital method for isolated MO6 octahedral coordination clusters containing Fe(2+), Fe(3+), Ti(3+), and Ti(4+) cations. The calculated charge transfer energy for the Fe(2+) to Ti(4+) transition correlates well with a measured spectral feature around 0.6 micron in ilmenite, and, since ilmenite is a major constituent of mare basalts and dark-mantling material, the observed darkness and blueness of the regolith in lunar black spots is attributed primarily to this transition. The Ti(3+) to Ti(4+) transition is thought to contribute to some phases.

Loeffler, B. M.↗
NASA NTRS1979

Explicit large time-step schemes for the shallow water equations

Modifications to explicit finite difference schemes for solving the shallow water equations for meteorological applications by increasing the time step for the fast gravity waves are analyzed. Terms associated with the gravity waves in the shallow water equations are treated on a coarser grid than those associated with the slow Rossby waves, which contain much more of the available energy and must be treated with higher accuracy, enabling a several-fold increase in time step without degrading the accuracy of the solution. The method is presented in Cartesian and spherical coordinates for a rotating earth, using generalized leapfrog, frozen coefficient, and Fourier filtering finite difference schemes. Computational results verify the numerical stability of the approach.

Turkel, E.↗
NASA NTRS1983

Design of shock-free compressor cascades including viscous boundary layer effects

A computer code that generates shock-free transonic compressor cascade shapes while taking into account viscosity effects is developed. The mathematical model for the inviscid flow field is the full potential equation. The Kutta-Joukowski condition is satisfied by varying the free stream angle at downstream infinity. A boundary fitted computational grid of C-type is generated using a sequence of conformal mapping and nonorthogonal coordinate stretching and shearing transformations. The inviscid calculation is performed sequentially on up to four consecutively refined grids thereby accelerating the convergence of the solution process. The full potential equation is solved using a finite area technique and rotated, type-dependent finite differencing. Artificial viscosity of the first order is added in a fully conservative form. Shock-free cascade airfoil shapes are obtained using the fictitious gas concept of Sobieczky and the method of characteristics in the rheograph plane. Viscosity effects are incorporated via a boundary layer displacement thickness. The integral boundary layer code is based on Rotta's turbulence model and assumes transition region of zero length.

Dulikravich, G. S.↗