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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 541 records · Page 30

Meta-GGA exchange-correlation free energy density functional to increase the accuracy of warm dense matter simulations

We discuss strategies for thermalization of the ground-state meta-generalized gradient approximation (meta-GGA) exchange-correlation (XC) functionals. A simple but accurate scheme is implemented via universal additive thermal correction to XC using a perturbative-like self-consistent approach. The additive correction with explicit temperature dependence is applied to the ground-state deorbitalized, strongly constrained and appropriately normed (SCAN-L) meta-GGA XC leading to thermal XC functional denoted here as T-SCAN-L. Thermal T-SCAN-L meta-GGA functional shows significant improvement in density functional theory calculation accuracy for warm dense matter by a factor of 3 to 10, achieving unprecedented accuracy of total pressure between a few tenths and 1% when compared to traditional XC functionals, as demonstrated by the comparison to pathintegral Monte Carlo simulations for helium equation of state. Furthermore, the T-SCAN-L calculations of dc conductivity of warm dense aluminum also give better agreement with experiments over other XC functionals such as PBE and SCAN-L.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Rethinking the Price Formation Problem–Part 1: Participant Incentives under Uncertainty

Operators of organized wholesale electricity markets attempt to form prices in such a way that the private incentives of market participants are consistent with a socially optimal commitment and dispatch schedule. In the U.S. context, several competing price formation schemes have been proposed to address the non-convex production cost functions characteristic of most generation technologies. Here, this paper considers how the design and analysis of price formation policies for non-convex markets are affected by the uncertainty inherent in electricity demand and supply. We argue that by excluding uncertainty, the analytical framework underlying existing policies mischaracterizes the incentives of market participants, leading to inefficient price formation and poor incentives for flexibility. We establish favorable theoretical properties of a new construct, ex ante convex hull pricing , and demonstrate the difference between this idealized benchmark and existing methods on a large-scale test system. Given increased operational uncertainty with a transition to wind and solar generation, distortions caused by poor incentives for flexibility are likely to grow without improved price formation in organized wholesale markets.

24 POWER TRANSMISSION AND DISTRIBUTION↗

RAPTURE User's Manual

This User's Guide serves as a brief introduction to the RAPTURE radiation effects analysis code. It includes an overview of the input format, RAPTURE's error- and consistency-checking of the user-provided input files, the automatic-differentiation and convergce-checking schemes employed by RAPTURE, and the RAPTURE output files. A variety of example problems are included in this Guide which collectively demonstrate RAPTURE's current capabilities and provide a suite of test problems and template input files for the user. This Guide includes, for each problem, the problem description, RAPTURE input files, and comparison of the RAPTURE solution with solutiong generated with the Monte Carlo transport code ITS, the legacy deterministic code ADEPT, and, where possible, published experimental results. An appendix includes a description of all keywords and options in the RAPTURE input file.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Orbit determination for earth survey satellites

A technique is described for improving the positioning accuracy of earth survey satellites. Tracking data from Landsat-1, taken in contiguous spans equal in length to the repeat period of 18 days, have been reduced in a least-squares orbit-determination scheme to estimate two pairs of lumped resonance coefficients. Seven separate data spans yielded resonance coefficient pairs consistent to better than 10% of their values, based on the GEM-1 gravity model. Constraint equations were developed. The resonance terms were embedded in the GEM-8 gravity field to yield further improvements in orbital fit to the tracking data, and tests suggest a 20 m position capability for Landsat orbits when the resonance model is adopted. The lumped terms may be used to improve the perturbation model for all Landsat orbits, and the approach is applicable to the orbit of any satellite whose repeat period is long enough for geopotential resonance to have a significant effect on its motion.

Dunn, P. J.↗

State and model error estimation for elliptic systems: Applications to large antenna static shape determination

This paper outlines the application of various estimation approaches to the problem of static shape determination for large antenna systems. The problem consists of estimating the shape of an antenna surface from measurements of its static deflection. The estimation schemes are based on any one of the modeling options of a single PDE for early insight and understanding, coarse-resolution multiple-PDE models for parametric studies and fine-resolution piecewise-continuum models for detailed design. For any one of these three models, estimator design can be developed using an infinite-dimensional approach, where the necessary finite-element truncation and approximation is conducted after the analytical design has taken place, or it can be based on a finite-dimensional approach, where the model is truncated before the estimation problem is formulated. One of the main objectives of the paper is to develop both approaches while simultaneously investigating their differences and similarities. Simulation results of an application of the finite-dimensional approach to a large parabolic reflector are presented.

Rodriguez, G.↗

Mathematical models for space shuttle ground systems

Math models are a series of algorithms, comprised of algebraic equations and Boolean Logic. At Kennedy Space Center, math models for the Space Shuttle Systems are performed utilizing the Honeywell 66/80 digital computers, Modcomp II/45 Minicomputers and special purpose hardware simulators (MicroComputers). The Shuttle Ground Operations Simulator operating system provides the language formats, subroutines, queueing schemes, execution modes and support software to write, maintain and execute the models. The ground systems presented consist primarily of the Liquid Oxygen and Liquid Hydrogen Cryogenic Propellant Systems, as well as liquid oxygen External Tank Gaseous Oxygen Vent Hood/Arm and the Vehicle Assembly Building (VAB) High Bay Cells. The purpose of math modeling is to simulate the ground hardware systems and to provide an environment for testing in a benign mode. This capability allows the engineers to check out application software for loading and launching the vehicle, and to verify the Checkout, Control, & Monitor Subsystem within the Launch Processing System. It is also used to train operators and to predict system response and status in various configurations (normal operations, emergency and contingent operations), including untried configurations or those too dangerous to try under real conditions, i.e., failure modes.

Tory, E. G.↗

The calculation of high-temperature equilibrium and nonequilibrium specific heat data for N2, O2 and NO

Specific heat data for high-temperature air species are needed to compute the temperature and enthalpy of gas mixtures in aerothermodynamics flowfield calculations. Accurate data are known only for temperatures under 6000 K, but are required for temperatures exceeding 25,000 K. In the present study, CP data are computed for N2, O2 and NO. The calculations are based on summations over all the vibration-rotation energy levels for all known bound electronic states. Estimates are made for the error introduced by the neglect of possible additional high-lying electronic states. In addition, a scheme for the partitioning of the internal energy into vibrational, rotational and electronic contributions is presented which consistently accounts for the nonseparable nature of the various energy modes. The multitemperature specific heat data are recommended for use in nonequilibrium flowfield models.

Jaffe, Richard L.↗

Recovery strategies for microburst encounters using reactive and forward-look wind shear detection

The threat of convective microburst wind shear phenomena to aircraft is studied. An attempt was made to quantify the benefits of forward-look sensing and to develop and test a candidate set of strategies for recovery from inadvertent microburst encounters during the landing approach. A batch simulation of various wind shear encounters was carried out; the simulation consisted of a point-mass aircraft model, an analytical microburst, and a simple wind shear detection scheme. It was found that forward-look alerts given 10 sec prior to microburst entry permitted recoveries to be made with little altitude loss.

Hinton, David A.↗

Linking consistency with object/thread semantics - An approach to robust computation

This paper presents an object/thread based paradigm that links data consistency with object/thread semantics. The paradigm can be used to achieve a wide range of consistency semantics from strict atomic transactions to standard process semantics. The paradigm supports three types of data consistency. Object programmers indicate the type of consistency desired on a per-operation basis and the system performs automatic concurrency control and recovery management to ensure that those consistency requirements are met. This allows programmers to customize consistency and recovery on a per-application basis without having to supply complicated, custom recovery management schemes. The paradigm allows robust and nonrobust computation to operate concurrently on the same data in a well defined manner. The operating system needs to support only one vehicle of computation - the thread.

Chen, Raymond C.↗

Aviation Safety Modeling and Simulation (ASMM) Propulsion Fleet Modeling: A Tool for Semi-Automatic Construction of CORBA-based Applications from Legacy Fortran Programs

Within NASA's Aviation Safety Program, NASA GRC participates in the Modeling and Simulation Project called ASMM. NASA GRC s focus is to characterize the propulsion systems performance from a fleet management and maintenance perspective by modeling and through simulation predict the characteristics of two classes of commercial engines (CFM56 and GE90). In prior years, the High Performance Computing and Communication (HPCC) program funded, NASA Glenn in developing a large scale, detailed simulations for the analysis and design of aircraft engines called the Numerical Propulsion System Simulation (NPSS). Three major aspects of this modeling included the integration of different engine components, coupling of multiple disciplines, and engine component zooming at appropriate level fidelity, require relatively tight coupling of different analysis codes. Most of these codes in aerodynamics and solid mechanics are written in Fortran. Refitting these legacy Fortran codes with distributed objects can increase these codes reusability. Aviation Safety s modeling and simulation use in characterizing fleet management has similar needs. The modeling and simulation of these propulsion systems use existing Fortran and C codes that are instrumental in determining the performance of the fleet. The research centers on building a CORBA-based development environment for programmers to easily wrap and couple legacy Fortran codes. This environment consists of a C++ wrapper library to hide the details of CORBA and an efficient remote variable scheme to facilitate data exchange between the client and the server model. Additionally, a Web Service model should also be constructed for evaluation of this technology s use over the next two- three years.

Sang, Janche↗

Autonomous Path-Following for a Tilt-Wing, Distributed Electric Propulsion, Vertical Take-Off and Landing Unmanned Aerial System in Hover Mode

This paper presents an autonomous path-following control architecture for a tilt-wing, distributed electric propulsion, vertical take-off and landing unmanned aerial system in hover mode and presents indoor flight test results. The test-bed vehicle is a subscale model with the same configuration as the NASA GL-10 aircraft. The control architecture consists of an inner-loop attitude controller, outer-loop trajec­tory controller, and a trajectory generation scheme. The flight test results show that the vehicle can satisfactorily follow a path prescribed by a list of waypoints around the indoor flight room.

Cooper, John R.↗

Higher-Order Compact Schemes for Numerical Simulation of Incompressible Flows

A higher order accurate numerical procedure has been developed for solving incompressible Navier-Stokes equations for 2D or 3D fluid flow problems. It is based on low-storage Runge-Kutta schemes for temporal discretization and fourth and sixth order compact finite-difference schemes for spatial discretization. The particular difficulty of satisfying the divergence-free velocity field required in incompressible fluid flow is resolved by solving a Poisson equation for pressure. It is demonstrated that for consistent global accuracy, it is necessary to employ the same order of accuracy in the discretization of the Poisson equation. Special care is also required to achieve the formal temporal accuracy of the Runge-Kutta schemes. The accuracy of the present procedure is demonstrated by application to several pertinent benchmark problems.

Wilson, Robert V.↗

NETRA: A parallel architecture for integrated vision systems. 1: Architecture and organization

Computer vision is regarded as one of the most complex and computationally intensive problems. An integrated vision system (IVS) is considered to be a system that uses vision algorithms from all levels of processing for a high level application (such as object recognition). A model of computation is presented for parallel processing for an IVS. Using the model, desired features and capabilities of a parallel architecture suitable for IVSs are derived. Then a multiprocessor architecture (called NETRA) is presented. This architecture is highly flexible without the use of complex interconnection schemes. The topology of NETRA is recursively defined and hence is easily scalable from small to large systems. Homogeneity of NETRA permits fault tolerance and graceful degradation under faults. It is a recursively defined tree-type hierarchical architecture where each of the leaf nodes consists of a cluster of processors connected with a programmable crossbar with selective broadcast capability to provide for desired flexibility. A qualitative evaluation of NETRA is presented. Then general schemes are described to map parallel algorithms onto NETRA. Algorithms are classified according to their communication requirements for parallel processing. An extensive analysis of inter-cluster communication strategies in NETRA is presented, and parameters affecting performance of parallel algorithms when mapped on NETRA are discussed. Finally, a methodology to evaluate performance of algorithms on NETRA is described.

Choudhary, Alok N.↗

NGEE Arctic Integrated Modeling (IM2): Improved subgrid hillslope hydrologic connectivity

This data product represents the integration of new code capability for arctic tundra hillslope hydrologic processes into the Energy Exascale Earth System Model (E3SM), through the E3SM Land Model (ELM) component. This code integration is the result of collaborative effort between the NGEE Arctic project and the E3SM project. The current ELM represents water movement primarily through vertical processes, such as precipitation, canopy interception, evaporation, infiltration, and soil water movement. Lateral water movement—such as surface runoff, subsurface flow, and river transport—plays a significant role in the hydrological cycle, especially in regions with varied topography. While E3SM includes a runoff routing component representing water transport in the river network, the lateral transport of water at the subgrid scale within the land model has previously not been taken into account. With the recent development of topographic units within the ELM subgrid data structure, there is an opportunity to simulate hillslope hydrologic connectivity by introducing water transport along topographic gradients. We expect that more realistic representation of hillslope hydrologic processes will lead to improved predictions of both soil water content and river network flows. Lateral transport of water at and near the surface is represented as a sub-grid process in this new code development. Water is tracked as it moves from higher to lower elevations within a gridcell. This capability uses the nested hierarchical sub-grid scheme within ELM to connect water fluxes from sub-grid elements with higher elevation to those with lower elevation. This data record consists of a single document (pdf format) that describes the theoretical basis for the hillslope hydrology processes added to ELM, and describes the modifications made to the ELM code. The Methods section of this metadata record includes a link to the public E3SM code repository where the exact code modifications as integrated in E3SM can be accessed. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

Thornton, Peter E [ORNL] (ORCID:0000000247595158)↗

Laboratory tests of CO2 laser collective Thomson scattering for measurements of ion temperature in the divertor

Collective Thomson scattering (CTS) is a diagnostic method that measures the ion velocity distribution of a plasma. CO2 laser CTS measurements are challenging because of the inherently small Doppler broadening and scattering signals that are difficult to detect. We implemented a heterodyne detection scheme to measure spectrum changes of less than a GHz. To maximize the collected light at small scattering angles, we designed a unique light collection approach consisting of a customized conical-shaped (axicon) lens with a hole in the center. The axicon lens is used to collect the scattered light emitted within an annular cross-section from the scattering volume while the probe beam is passed through the hole at the center of the lens. The performance of the heterodyne detection scheme and annular collection approach was demonstrated using a Transverse Excited Atmospheric pressure CO2 laser with a pulse energy of 160 mJ at λ = 10.59 µm.

Instruments & Instrumentation↗

Effects of renormalon scheme and perturbative scale choices on determinations of the strong coupling from e + e − event shapes

We study the role of renormalon cancellation schemes and perturbative scale choices in extractions of the strong coupling constant α s ( m Z ) and the leading nonperturbative shift parameter Ω 1 from resummed predictions of the e + e − event shape thrust. We calculate the thrust distribution to N L 3 L ′ resummed accuracy in soft-collinear effective theory (SCET) matched to the fixed-order O ( α s 2 ) prediction, and perform a new high-statistics computation of the O ( α s 3 ) matching in , although we do not include the latter in our final α s fits due to some observed systematics that require further investigation. We are primarily interested in testing the phenomenological impact sourced from varying amongst three renormalon cancellation schemes and two sets of perturbative scale profile choices. We then perform a global fit to available data spanning center-of-mass energies between 35–207 GeV in each scenario. Relevant subsets of our results are consistent with prior SCET-based extractions of α s ( m Z ) , but we are also led to a number of novel observations. Notably, we find that the combined effect of altering the renormalon cancellation scheme and profile parameters can lead to few-percent-level impacts on the extracted values in the α s − Ω 1 plane, indicating a potentially important systematic theory uncertainty that should be accounted for. We also observe that fits performed over windows dominated by dijet events are typically of a higher quality than those that extend into the far tails of the distributions, possibly motivating future fits focused more heavily in this region. Finally, we discuss how different estimates of the three-loop soft matching coefficient c S ˜ 3 can also lead to measurable changes in the fitted { α s , Ω 1 } values. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Energy management of three-dimensional minimum-time intercept

A real-time computer algorithm to control and optimize aircraft flight profiles is described and applied to a three-dimensional minimum-time intercept mission. The proposed scheme has roots in two well known techniques: singular perturbations and neighboring-optimal guidance. Use of singular-perturbation ideas is made in terms of the assumed trajectory-family structure. A heading/energy family of prestored point-mass-model state-Euler solutions is used as the baseline in this scheme. The next step is to generate a near-optimal guidance law that will transfer the aircraft to the vicinity of this reference family. The control commands fed to the autopilot (bank angle and load factor) consist of the reference controls plus correction terms which are linear combinations of the altitude and path-angle deviations from reference values, weighted by a set of precalculated gains. In this respect the proposed scheme resembles neighboring-optimal guidance. However, in contrast to the neighboring-optimal guidance scheme, the reference control and state variables as well as the feedback gains are stored as functions of energy and heading in the present approach. Some numerical results comparing open-loop optimal and approximate feedback solutions are presented.

Kelley, H. J.↗

Accurate prediction of core-level spectra of radicals at density functional theory cost via square gradient minimization and recoupling of mixed configurations

State-specific orbital optimized approaches are more accurate at predicting core-level spectra than traditional linear-response protocols, but their utility had been restricted due to the risk of "variational collapse" down to the ground state. We employ the recently developed square gradient minimization algorithm to reliably avoid variational collapse and study the effectiveness of orbital optimized density functional theory (DFT) at predicting second period element 1s core-level spectra of open-shell systems. Several density functionals (including SCAN, B3LYP, and ωB97X-D3) are found to predict excitation energies from the core to singly occupied levels with high accuracy (≤0.3 eV RMS error) against available experimental data. Higher excited states are, however, more challenging by virtue of being intrinsically multiconfigurational. We thus present a configuration interaction inspired route to self-consistently recouple single determinant mixed configurations obtained from DFT, in order to obtain approximate doublet states. This recoupling scheme is used to predict the C K-edge spectra of the allyl radical, the O K-edge spectra of CO + , and the N K-edge of NO 2 with high accuracy relative to experiment, indicating substantial promise in using this approach for the computation of core-level spectra for doublet species [vs more traditional time dependent DFT, equation of motion coupled cluster singles and doubles (EOM-CCSD), or using unrecoupled mixed configurations]. Finally, we also present general guidelines for computing core-excited states from orbital optimized DFT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗