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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 1,567 records · Page 87

All sources NASA NTRS DOE OSTI

DOE OSTI2015

Anomalous small-angle X-ray scattering of nanoporous two-phase atomistic models for amorphous silicon–germanium alloys

The present work deals with a detailed analysis of the anomalous small-angle X-ray scattering in amorphous silicon–germanium alloy using the simulation technique. We envisage the nanoporous two-phase alloy model consisting in a mixture of Ge-rich and Ge-poor domains and voids at the nanoscale. By substituting Ge atoms for Si atoms in nanoporous amorphous silicon network, compositionally heterogeneous alloys are generated with various composition-contrasts between the two phases. After relaxing the as-generated structure, we compute its radial distribution function, and then we deduce by the Fourier transform technique its anomalous X-ray scattering pattern. Using a smoothing procedure, the computed X-ray scattering patterns are corrected for the termination errors due to the finite size of the model, allowing so a rigorous quantitative analysis of the anomalous small-angle scattering. Our simulation shows that, as expected, the anomalous small-angle X-ray scattering technique is a tool of choice for characterizing compositional heterogeneities coexisting with structural inhomogeneities in an amorphous alloy. Furthermore, the sizes of the compositional nanoheterogeneities, as measured by anomalous small-angle X-ray scattering technique, are X-ray energy independent. A quantitative analysis of the separated reduced anomalous small-angle X-ray scattering, as defined in this work, provided a good estimate of their size.

36 MATERIALS SCIENCE↗

NASA NTRS1995

Analysis of developing laminar flows in circular pipes using a higher-order finite-difference technique

A higher-order finite-difference technique is developed to calculate the developing-flow field of steady incompressible laminar flows in the entrance regions of circular pipes. Navier-Stokes equations governing the motion of such a flow field are solved by using this new finite-difference scheme. This new technique can increase the accuracy of the finite-difference approximation, while also providing the option of using unevenly spaced clustered nodes for computation such that relatively fine grids can be adopted for regions with large velocity gradients. The velocity profile at the entrance of the pipe is assumed to be uniform for the computation. The velocity distribution and the surface pressure drop of the developing flow then are calculated and compared to existing experimental measurements reported in the literature. Computational results obtained are found to be in good agreement with existing experimental correlations and therefore, the reliability of the new technique has been successfully tested.

Gladden, Herbert J.↗

NASA NTRS1994

Constraints on galactic distributions of gamma-ray burst sources from BATSE observations

The paradigm that gamma-ray bursts originate from Galactic sources is studied in detail using the angular and intensity distributions observed by the Burst and Transient Source Experiment (BATSE) on NASA's Compton Gamma Ray Observatory (CGRO). Monte Carlo models of gamma-ray burst spatial distributions and luminosity functions are used to simulate bursts, which are then folded through mathematical models of BATSE selection effects. The observed and computed angular intensity distributions are analyzed using modifications of standard statistical homogeneity and isotropy studies. Analysis of the BATSE angular and intensity distributions greatly constrains the origins and luminosities of burst sources. In particular, it appears that no single population of sources confined to a Galactic disk, halo, or localized spiral arm satisfactorily explains BATSE observations and that effects of the burst luminosity function are secondary when considering such models. One family of models that still satisfies BATSE observations comprises sources located in an extended spherical Galactic corona. Coronal models are limited to small ranges of burst luminosity and core radius, and the allowed parameter space for such models shrinks with each new burst BATSE observes. Multiple-population models of bursts are found to work only if (1) the primary population accounts for the general isotropy and inhomogeneity seen in the BATSE observations and (2) secondary populations either have characteristics similar to the primary population or contain numbers that are small relative to the primary population.

Hakkila, Jon↗

DOE OSTI2024

ARQUIN: Architectures for Multinode Superconducting Quantum Computers

Many proposals to scale quantum technology rely on modular or distributed designs wherein individual quantum processors, called nodes, are linked together to form one large multinode quantum computer (MNQC). One scalable method to construct an MNQC is using superconducting quantum systems with optical interconnects. However, internode gates in these systems may be two to three orders of magnitude noisier and slower than local operations. Surmounting the limitations of internode gates will require improvements in entanglement generation, use of entanglement distillation, and optimized software and compilers. Still, it remains unclear what performance is possible with current hardware and what performance algorithms require. In this article, we employ a systems analysis approach to quantify overall MNQC performance in terms of hardware models of internode links, entanglement distillation, and local architecture. We show how to navigate tradeoffs in entanglement generation and distillation in the context of algorithm performance, lay out how compilers and software should balance between local and internode gates, and discuss when noisy quantum internode links have an advantage over purely classical links. Here, we find that a factor of 10–100× better link performance is required and introduce a research roadmap for the co-design of hardware and software towards the realization of early MNQCs. While we focus on superconducting devices with optical interconnects, our approach is general across MNQC implementations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Heat transfer in directly-irradiated high-temperature solid–gas flows laden with polydisperse particles

Heat transfer in directly-irradiated high-temperature solid–gas flows laden with polydisperse particles is investigated using a novel transient three-dimensional computational fluid dynamics model. The model couples particle–gas hydrodynamics of solid–gas flows laden with polydisperse particles, radiative heat transfer in non-grey absorbing, emitting and anisotropically-scattering multi-component participating media, conduction heat transfer in the gas phase, and interfacial convection heat transfer. The multiphase particle-in-cell method is used to predict high-fidelity solid–gas flow characteristics, such as the local discrete particle size distribution, with increased computational efficiency by combining the advantages of both Eulerian and Lagrangian methods. The multi-component radiative transfer model is implemented using an advanced collision-based Monte Carlo ray-tracing method. The number of the prescribed discrete particle components is found to be the key parameter affecting the computational accuracy and efficiency, which primarily depends on the size distribution of the particles. For the model particle–gas flow featuring free-falling Gamma-distributed ceramic particles exposed to concentrated solar irradiation, the particle volume fraction, radiative, fluid flow and thermal characteristics appear to converge with the increasing number of the discrete particle components. Five particle components are sufficient to obtain physically meaningful results. A further increase in the number of the particle components only slightly increases the accuracy of the numerical predictions at the expense of a rapidly increasing computational time. For five particle components, the particle vertical velocity at the receiver exit for particles with the diameter of 43.4 μm is 57% of that for the particles with the diameter of 202.8 μm. The temperatures of these two particle components increase from the initial ambient values by factors of 2 and 1.2, respectively, during the simulation time. In conclusion, the model developed allows for increased fidelity of particle–gas flow simulations with significant radiative effects.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Atomistic Investigations of the Effects of Si/Al Ratio and Al Distribution on the Adsorption Selectivity of n -Alkanes in Brønsted-Acid Zeolites

The adsorption of n -alkanes onto Brønsted-acid sites is a key step in the catalytic cracking of alkanes. Employing configurational-bias Monte Carlo simulations, we have investigated how the ratio of equilibrium adsorption constants for central C-C bonds relative to terminal bonds of n -alkanes (i.e., the adsorption selectivity ratio) in Brønsted-acid zeolites is influenced by the Si/Al ratio and the Al distribution. A new computational approach was implemented, and the developed force field was validated by a comprehensive comparison between simulation results and experimental data for a number of Brønsted-acid zeolites. While the adsorption selectivity seems to be relatively insensitive to the Si/Al ratio, our results reveal that the Al distribution plays a crucial role in determining the adsorption selectivity. Changes in the Al distribution result in a change of as much as 2-fold in the adsorption selectivity ratio for n -hexane. The selectivity generally shows larger variations with respect to Al distribution in zeolites with a larger Si/Al ratio. The two factors identified by this work that substantially influence the selectivity ratio are the siting of Al atoms among T-sites and their spatial proximity, and an atomic-level understanding of each of these effects was achieved. The siting of Al atoms at more or less selective T-sites significantly influences the overall selectivity ratio, and Al atoms in close proximity can synergistically enhance the adsorption of central C-C bonds, leading to a higher selectivity ratio relative to isolated Al atoms. Finally, we anticipate that these results will have important implications for future large-scale computational screenings and the development of advanced synthesis approaches to target certain Al distributions in zeolites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

An adjoint method for neoclassical stellarator optimization

Stellarators remain an enticing route to steady-state fusion power. However, to achieve the required confinement, the magnetic geometry must be highly optimized. This optimization requires navigating high-dimensional spaces, often necessitating the use of gradient-based methods. The gradient of the neoclassical fluxes is expensive to compute with classical methods, requiring $O(N)$ flux computations, where $N$ is the number of parameters. To reduce the cost of the gradient computation, we present an adjoint method for computing the derivatives of moments of the neoclassical distribution function for stellarator optimization. The linear adjoint method allows derivatives of quantities which depend on solutions of a linear system, such as moments of the distribution function, to be computed with respect to many parameters from the solution of only two linear systems. This reduces the cost of computing the gradient to the point that the finite-collisionality neoclassical fluxes can be used within an optimization loop. With the neoclassical adjoint method, we compute solutions of the drift kinetic equation and an adjoint drift kinetic equation to obtain derivatives of neoclassical quantities with respect to geometric parameters. When the number of parameters in the derivative is large ( $O(10^{2})$ ), this adjoint method provides up to a factor of 200 reduction in cost. We demonstrate adjoint-based optimization of the field strength to obtain minimal bootstrap current on a surface. With adjoint-based derivatives, we also compute the local sensitivity to magnetic perturbations on a flux surface and identify regions where tight tolerances on error fields are required for control of the bootstrap current or radial transport. Moreover, the solve for the ambipolar electric field is accelerated using a Newton method with derivatives obtained from the adjoint method.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Optimal Demand Response Incorporating Distribution LMP with PV Generation Uncertainty

The utilization of aggregated demand-side flexibility via demand response (DR) has become a promising pathway for the integration of renewable energy resources in power systems. Nowadays, there are several management strategies for DR such as the price-based transactive control strategies. However, many of such existing price-based control strategies neglect the physics and operational constraints of the underlying distribution networks when computing the price, raising concerns regarding their theoretical and practical values. This paper studies this issue and investigates optimal DR (ODR) by incorporating the distribution locational marginal price (DLMP). In particular, we discuss DR in connection with DLMPs and propose a multiperiod bilevel optimization problem to find the ODR strategy. Here, the objective is to minimize the peak load, load fluctuation, and payments of load aggregators. In addition, a robust bilevel ODR model is formulated to provide a robust ODR strategy while minimizing operating costs under the worst-case realization of uncertainties; this mitigates the impact of forecasting errors on renewable energy resources. Then, we propose an efficient solution approach by employing the Karush-Kuhn-Tucker conditions and strong duality. Simulation results are presented to illustrate the mutual impacts of the interaction between DR and DLMP and the benefits of the robust ODR strategy.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

QCOR; A Language Extension Specification for the Heterogeneous Quantum-Classical Model of Computation

Quantum computing (QC) is an emerging computational paradigm that leverages the laws of quantum mechanics to perform elementary logic operations. Existing programming models for QC were designed with fault-tolerant hardware in mind, envisioning stand-alone applications. However, the susceptibility of near-term quantum computers to noise limits their stand-alone utility. To better leverage limited computational strengths of noisy quantum devices, hybrid algorithms have been suggested whereby quantum computers are used in tandem with their classical counterparts in a heterogeneous fashion. This modus operandi calls out for a programming model and a high-level programming language that natively and seamlessly supports heterogeneous quantum-classical hardware architectures in a single-source-code paradigm. Motivated by the lack of such a model, we introduce a language extension specification, called QCOR, which enables single-source quantum-classical programming. Programs written using the QCOR library–based language extensions can be compiled to produce functional hybrid binary executables. After defining QCOR’s programming model, memory model, and execution model, we discuss how QCOR enables variational, iterative, and feed-forward QC. Additionally, QCOR approaches quantum-classical computation in a hardware-agnostic heterogeneous fashion and strives to build on best practices of high-performance computing. The high level of abstraction in the language extension is intended to accelerate the adoption of QC by researchers familiar with classical high-performance computing.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Applying the Risk Management Framework: The Distributed Energy Resource Risk Manager

As part of a multiyear effort, the National Renewable Energy Laboratory (NREL) has dedicated resources to understand and identify cybersecurity weaknesses in distributed energy resources (DERs) by performing assessments. Due to a lack of standardization and rapidly increasing adoption of DERs, there is a critical need to address cybersecurity needs for DER systems in an interactive way. Furthermore, federal agencies, which are required to obtain an authority to operate, are challenged by the complexities of including their DERs. To help meet this need, in early 2020, NREL released the Distributed Energy Resources Cybersecurity Framework (DERCF) and accompanying Web application. This process is supported by the Risk Management Framework (RMF) developed by the National Institute of Standards and Technology. This project, referred to as the DERCF RMF application, expands on the existing DERCF work to include methods that support walking a user through the seven RMF steps. The tool will be available for download at no cost from [link ]. The purpose of this paper is to describe the steps the DERCF team at NREL took to understand Steps 1-5 of the RMF process. Additionally, this document will identify future work on the first five steps as well as a plan for Steps 6 and 7.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1974

Real time computer data system for the 40 x 80 ft wind tunnel facility at Ames Research Center

The wind tunnel realtime computer system is a distributed data gathering system that features a master computer subsystem, a high speed data gathering subsystem, a quick look dynamic analysis and vibration control subsystem, an analog recording back-up subsystem, a pulse code modulation (PCM) on-board subsystem, a communications subsystem, and a transducer excitation and calibration subsystem. The subsystems are married to the master computer through an executive software system and standard hardware and FORTRAN software interfaces. The executive software system has four basic software routines. These are the playback, setup, record, and monitor routines. The standard hardware interfaces along with the software interfaces provide the system with the capability of adapting to new environments.

Cambra, J. M.↗

NASA NTRS1990

Near-field noise of a single-rotation propfan at an angle of attack

The near field noise characteristics of a propfan operating at an angle of attack are examined utilizing the unsteady pressure field obtained from a 3-D Euler simulation of the propfan flowfield. The near field noise is calculated employing three different procedures: a direct computation method in which the noise field is extracted directly from the Euler solution, and two acoustic-analogy-based frequency domain methods which utilize the computed unsteady pressure distribution on the propfan blades as the source term. The inflow angles considered are -0.4, 1.6, and 4.6 degrees. The results of the direct computation method and one of the frequency domain methods show qualitative agreement with measurements. They show that an increase in the inflow angle is accompanied by an increase in the sound pressure level at the outboard wing boom locations and a decrease in the sound pressure level at the (inboard) fuselage locations. The trends in the computed azimuthal directivities of the noise field also conform to the measured and expected results.

Nallasamy, M.↗

NASA NTRS1990

Near-field noise of a single rotation propfan at an angle of attack

The near-field noise characteristics of a propfan operating at an angle of attack are examined utilizing the unsteady pressure field obtained from a three-dimensional Euler simulation of the propfan flowfield. The near-field noise is calculated employing three different procedures: a direct computation method in which the noise field is extracted directly from the Euler solution, and two acoustic-analogy-based frequency domain methods which utilize the computed unsteady pressure distribution on the propfan blades as the source term. The inflow angles considered are -0.4, 1.6, and 4.6 degrees. The results of the direct computation method and one of the frequency domain methods show qualitative agreement with measurements. They show that an increase in the inflow angle is accompanied by an increase in the sound pressure level at the outboard wing boom locations and a decrease in the sound pressure level at the (inboard) fuselage locations. The trends in the computed azimuthal directivities of the noise field also conform to the measured and expected results.

Nallasamy, M.↗

NASA NTRS1996

Holographic Vibration Testing With Video/Computer Imaging

In improved system for holographic vibration testing, holographic interferograms indicating shapes of vibrational modes recorded by video camera under computer control. Results available almost immediately, and images distributed simultaneously to multiple computer terminals connected to vibration-testing computer via local-area network. Designed to replace prior photography-based system for identifying natural vibrational modes of propfan blades; adaptable to similar vibration testing of other objects.

Miller, Christopher J.↗

DOE OSTI2019

GridAPPS-D™

Distribution utilities need better tools to get the full benefit of the abundance of data within their systems. GridAPPS-D™ is a free, open-source, data integration and application development platform. It enables development of portable, advanced applications by standardizing the data exchange interfaces between devices in the field, distributed apps in the systems, and applications in the control room. Contact: Ron Melton, ron.melton@pnnl.gov. For developers: https://github.com/GRIDAPPSD.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Lattice QCD calculation of the pion generalized parton distribution

We present the results of a Lattice QCD computation of pion generalized parton distribution (GPD), employing perturbative matching up to next-to-next-to-leading order (NNLO). The computations are based on an ensemble of Nf=2+1 highly improved staggered quarks (HISQ) with a pion mass of 300 MeV and a lattice spacing of 0.04 fm. Centered on the zero-skewness limit, we utilize a recently proposed Lorentz-invariant definition of GPD, which is derived from Lorentz-invariant amplitudes. We analyze and compare these amplitudes in both Breit and non-Breit kinematic frames at comparable momentum transfers, validating their frame-independent nature. To obtain light-cone GPD, we integrate hybrid scheme renormalization with the large momentum effective theory (LaMET). Moreover, we determine the first three iso-vector generalized form factors (GFFs) of the pion using the ratio scheme renormalization and leading-twist factorization, achieving NNLO accuracy.

Ding, Heng-Tong↗

NASA NTRS1978

Velocity, temperature, and electrical conductivity profiles in hydrogen-oxygen MHD duct flows

This paper presents results of two-dimensional duct flow computations for radial distributions of velocity, temperature, and electrical conductivity. Calculations were carried out for the flow conditions representative of NASA Lewis hydrogen-oxygen combustion driven MHD duct. Results are presented for two sets of computations: (1) profiles of developing flow in a smooth duct, and (2) profiles of fully developed pipe flow with a specified streamwise shear stress distribution. The predicted temperature and electrical conductivity profiles for the developing flows compared well with available experimental data.

Greywall, M. S.↗

NASA NTRS1981

Numerical optimization techniques for bound circulation distribution for minimum induced drag of Nonplanar wings: Computer program documentation

A two dimensional advanced panel far-field potential flow model of the undistorted, interacting wakes of multiple lifting surfaces was developed which allows the determination of the spanwise bound circulation distribution required for minimum induced drag. This model was implemented in a FORTRAN computer program, the use of which is documented in this report. The nonplanar wakes are broken up into variable sized, flat panels, as chosen by the user. The wake vortex sheet strength is assumed to vary linearly over each of these panels, resulting in a quadratic variation of bound circulation. Panels are infinite in the streamwise direction. The theory is briefly summarized herein; sample results are given for multiple, nonplanar, lifting surfaces, and the use of the computer program is detailed in the appendixes.

Kuhlman, J. M.↗