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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Disconnected Hadronic Vacuum Polarization Contribution to the Muon g-2 with HISQ

We describe a computation of the contribution to the anomalous magnetic moment of the muon from the disconnected part of the hadronic vacuum polarization. We use the highly-improved staggered quark (HISQ) formulation for the current density with gauge configurations generated with four flavors of HISQ sea quarks. The computation is performed by stochastic estimation of the current density using the truncated solver method combined with deflation of low-modes. The parameters are tuned to minimize the computational cost for a given target uncertainty in the current-current correlation function. The calculation presented here is carried out on a single gauge-field ensemble of size $32^3\times48$ with an approximate lattice spacing of $\sim0.15$ fm and with physical sea-quark masses. We describe the methodology and the analysis procedure

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Teaching Freight Mode Choice Models New Tricks Using Interpretable Machine Learning Methods

Understanding and forecasting the intricate freight mode choice behavior under various industry, policy, and technology contexts is essential in freight planning and policymaking. Numerous models have been developed in prior studies to provide insights into freight mode selection, the majority of which use discrete choice models such as multinomial logit (MNL) models. However, logit models often rely on linear specifications of independent variables, despite potential nonlinear relationships in the data. Moreover, there often lacks a heuristic and efficient approach to identify such complex relationships to define the logit model specifications. To fill this gap, we developed an MNL model for freight mode choice using the insights from state-of-the- art machine learning (ML) models. ML models can capture the nonlinear nature of the complex decision-making process, and recent advances in 'explainable AI' have greatly improved their interpretability. The interpretable ML methods help enhance the performance of MNL models and advance knowledge of freight mode choice. Specifically, the influential factors and their relationship with individual modes are identified using SHapley Additive exPlanations (SHAP) to improve the MNL's performance. The workflow is demonstrated in a case study of Austin, Texas, and the SHAP results reveal multiple nonlinear relationships predicted by ML models. Incorporating those relationships into MNL model specifications improves the interpretability and accuracy of the MNL model compared to a conventional MNL model. Findings from this study can be used to guide freight planning and inform policymakers and practitioners on how key factors affect freight decision-making.

ADVANCED PROPULSION SYSTEMS,MATHEMATICS AND COMPUT↗
NASA NTRS1992

Acoustic modes in fluid networks

Pressure and flow rate eigenvalue problems for one-dimensional flow of a fluid in a network of pipes are derived from the familiar transmission line equations. These equations are linearized by assuming small velocity and pressure oscillations about mean flow conditions. It is shown that the flow rate eigenvalues are the same as the pressure eigenvalues and the relationship between line pressure modes and flow rate modes is established. A volume at the end of each branch is employed which allows any combination of boundary conditions, from open to closed, to be used. The Jacobi iterative method is used to compute undamped natural frequencies and associated pressure/flow modes. Several numerical examples are presented which include acoustic modes for the Helium Supply System of the Space Shuttle Orbiter Main Propulsion System. It should be noted that the method presented herein can be applied to any one-dimensional acoustic system involving an arbitrary number of branches.

Michalopoulos, C. D.↗
DOE OSTI2016

Efficient photon coupling from a diamond nitrogen vacancy center by integration with silica fiber

A central goal in quantum information science is to efficiently interface photons with single optical modes for quantum networking and distributed quantum computing. Here, we introduce and experimentally demonstrate a compact and efficient method for the low-loss coupling of a solid-state qubit, the nitrogen vacancy (NV) center in diamond, with a single-mode optical fiber. In this approach, single-mode tapered diamond waveguides containing exactly one high quality NV memory are selected and integrated on tapered silica fibers. Numerical optimization of an adiabatic coupler indicates that near-unity-efficiency photon transfer is possible between the two modes. Experimentally, we find an overall collection efficiency between 16% and 37% and estimate a single photon count rate at saturation above 700 kHz. This integrated system enables robust, alignment-free, and efficient interfacing of single-mode optical fibers with single photon emitters and quantum memories in solids.

Optics↗
NASA NTRS1991

Block Lanczos Algorithm For Gyroscopic Systems

Report describes details of implementation of procedure for accurate and economical computation of natural frequencies and associated vibrational modes of elastic structure rotating along arbitrary axis. Block version of Lanczos algorithm derived for solution of eigenvalue and eigenvector problems. Fully exploits sparsity of associated matrices and employs only real numbers in all relevant computations. Capable of determining multiple roots and proves to be most efficient when compared to other similar existing techniques.

Gupta, Kajal K.↗
DOE OSTI2016

Radiative Heat Transfer Calculation on 16384 GPUs Using a Reverse Monte Carlo Ray Tracing Approach with Adaptive Mesh Refinement

Modeling thermal radiation is computationally challenging in parallel due to its all-to-all physical and resulting computational connectivity, and is also the dominant mode of heat transfer in practical applications such as next-generation clean coal boilers, being modeled by the Uintah framework. However, a direct all-to-all treatment of radiation is prohibitively expensive on large computers systems whether homogeneous or heterogeneous. DOE Titan and the planned DOE Summit and Sierra machines are examples of current and emerging GPU-based heterogeneous systems where the increased processing capability of GPUs over CPUs exacerbates this problem. These systems require that computational frameworks like Uintah leverage an arbitrary number of on-node GPUs, while simultaneously utilizing thousands of GPUs within a single simulation. We show that radiative heat transfer problems can be made to scale within Uintah on heterogeneous systems through a combination of reverse Monte Carlo ray tracing (RMCRT) techniques combined with AMR, to reduce the amount of global communication. In particular, significant Uintah infrastructure changes, including a novel lock and contention-free, thread-scalable data structure for managing MPI communication requests and improved memory allocation strategies were necessary to achieve excellent strong scaling results to 16384 GPUs on Titan.

Computer Science↗
NASA NTRS1994

Numerical design of advanced multi-element airfoils

The current study extends the application of computational fluid dynamics to three-dimensional high-lift systems. Structured, overset grids are used in conjunction with an incompressible Navier-Stokes flow solver to investigate flow over a two-element high-lift configuration. The computations were run in a fully turbulent mode using the one-equation Baldwin-Barth turbulence model. The geometry consisted of an unswept wing which spanned a wind tunnel test section. Flows over full and half-span Fowler flap configurations were computed. Grid resolution issues were investigated in two dimensional studies of the flapped airfoil. Results of the full-span flap wing agreed well with experimental data and verified the method. Flow over the wing with the half-span was computed to investigate the details of the flow at the free edge of the flap. The results illustrated changes in flow streamlines, separation locations, and surface pressures due to the vortex shed from the flap edge.

Mathias, Donovan L.↗
NASA NTRS1973

A description of a general use automated data reduction system

A data system developed for use in tests in arc jet facilities has the flexibility to accommodate various types of data, time resolution, and number of data signals. Data are tape-recorded, because a direct link to the IBM 360/67 computer is prohibited for safety reasons. The system is analogous to manual data reduction to promote user understanding and acceptance. Data computations may be performed in an interactive ('conversational') mode, for minimum delay in data reduction, or by card input. Reduced data are listed and also stored for plotting of further computational use. Operational costs of the system are reasonable, and both large and small data reduction tasks are handled readily.

Wakefield, R. M.↗
NASA NTRS1975

Remote sensor digital image data analysis using the General Electric Image 100 analysis system (a study of analysis speed, cost, and performance)

The author has identified the following significant results. It was found that the high speed man machine interaction capability is a distinct advantage of the image 100; however, the small size of the digital computer in the system is a definite limitation. The system can be highly useful in an analysis mode in which it complements a large general purpose computer. The image 100 was found to be extremely valuable in the analysis of aircraft MSS data where the spatial resolution begins to approach photographic quality and the analyst can exercise interpretation judgements and readily interact with the machine.

Mcmurtry, G. J.↗
NASA NTRS1986

Effects of eddy initial conditions on nonlinear forcing of planetary scale waves by amplifying baroclinic eddies

The previous study of Young and Villere concerning growth of planetary scale waves forced by wave-wave interactions of amplifying intermediate scale baroclinic eddies is extended to investigate effects of different eddy initial conditions. A global, spectral, primitive equation model is used for the calculations. For every set of eddy initial conditions considered, growth rates of planetary modes are considerably greater than growth rates computed from linear instability theory for a fixed zonally independent basic state. However, values of growth rates ranged over a factor of 3 depending on the particular set of eddy initial conditions used. Nonlinear forcing of planetary modes via wave-wave coupling becomes more important than baroclinic growth on the basic state at small values of the intermediate-scale modal amplitudes. The relative importance of direct transfer of kinetic energy from intermediate scales of motion to a planetary mode, compared to baroclinic conversion of available potential energy to kinetic energy within that planetary mode, depends on the individual case. In all cases, however, the transfer of either kinetic or available potential energy to the planetary modes was accomplished principally by wave-wave transfer from intermediate scale eddies, rather than from the zonally averaged state. The zonal wavenumber 2 planetary mode was prominent in all solutions, even in those for which eddy initial conditions were such that a different planetary mode was selectively forced at the start. General characteristics of the structural evolution of the planetary wave components of total heat and momentum flux, and modal structures themselves, were relatively insensitive to variations in eddy initial conditions, even though quantitative details varied from case to case.

Young, Richard E.↗
DOE OSTI2026

Fusion dynamics of Majorana zero modes

Braiding and fusion of Majorana zero modes are key elements of any future topological Majorana-based quantum computer. In this article, we investigate the fusion dynamics of Majorana zero modes in the spinless Kitaev model, as well as in a spinful model describing magnet-superconductor hybrid structures. We consider various scenarios allowing us to reproduce the fusion rules of the Ising anyon model. Particular emphasis is given to the charge of the fermion obtained after fusing two Majorana zero modes: as long as it remains on the superconductor, charge quantization is absent. When moving the fermion to a nonsuperconducting region, such as a quantum dot, nearly quantized charge can be measured. Our findings confirm for both platforms that fusion dynamics of Majorana zero modes can indeed be used for the readout of Majorana qubits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

Attitude control of Mariner Jupiter-Saturn spacecraft

A major challenge of the Mariner Jupiter-Saturn '77 spacecraft was devising a suboptimal attitude controller that could meet the demanding mission requirements. The challenge was met by implementing a discrete stochastic controller for a specially designed onboard computer. The paper describes the design and operation of the controller, based on a simple model of spacecraft dynamics. Two types of cruising modes are considered: inertial cruise, where spacecraft attitude is determined from gyro position outputs, and celestial cruise, where position information is obtained from sun sensors and a star tracker. These two cruise modes under conditions of disturbances were simulated on computer, and the results showed that the controller maintained the spacecraft attitude with low rates. An appendix gives details on the single-step predictor.

Bahrami, K. A.↗
NASA NTRS1992

A new class of g-modes in neutron stars

Because a neutron star is born hot, its internal composition is close to chemical equilibrium. In the fluid core, this implies that the ratio of the number densities of charged particles (protons and electrons) to neutrons is an increasing function of the mass density. This composition gradient stably stratifies the matter giving rise to a Brunt-Vaisala frequency N of about 500/s. Consequently, a neutron star core provides a cavity that supports gravity modes (g-modes). These g-modes are distinct from those previously identified with the thermal stratification of the surface layers and the chemical stratification of the crust. We compute the lowest-order, quadrupolar, g-modes for cold, Newtonian, neutron star models with M/solar M = 0.581 and M/solar M = 1.405, and show that the crustal and core g-modes have similar periods. We also discuss damping mechanisms and estimate damping rates for the core g-modes. Particular attention is paid to damping due to the emission of gravitational radiation.

Reisenegger, Andreas↗
NASA NTRSDate not supplied

Higher-Order Approximations for Stabilizing Zero-Energy Modes in Peridynamics Crystal Plasticity Models with Large Horizon Interactions

The non-ordinary state-based peridynamics theory combines non-local dynamic techniques with a desirable correspondence material principle, allowing for the use of continuum mechanics constitutive models. Such an approach presents a unique capability for solving problems involving discontinuities (e.g., strain localization, fracture, and fragmentation). However, the correspondence-based peridynamics models often suffer from zero-energy mode instabilities in numerical implementation, primarily due to the approximations of the non-local deformation gradient tensor. This paper focuses on a computational scheme for eliminating the zero-energy mode oscillations using a choice of influence functions that improve the truncation error in a higher-order Taylor series expansion of the deformation gradient. The novelty here is a tensor-based derivation of the linear constraint equations, which can be used to systematically identify the particle interaction weight functions for various user-specified horizon radii. In this paper, the proposed higher-order stabilization scheme is demonstrated for multi-dimensional examples involving polycrystalline and composite microstructures, along with comparisons against conventional finite element methods. The proposed stabilization scheme is shown to be highly effective in suppressing the spurious zero-energy mode oscillations in all numerical examples while enabling efficient simulations of strain localizations across material interfaces.

Non-Ordinary State-Based Peridynamics↗
DOE OSTI2020

Mode-specific pressure effects on the relaxation of an excited nitromethane molecule in an argon bath

The vibrational and rotational mode-specific relaxations of CH 3 NO 2 with 50 kcal/mol of initial internal energy in an argon bath is computed at 300 K at pressures of 10-400 atm. This work uses archived information from our previously published [J. Chem. Phys. 142, 014303 (2015)] molecular dynamics simulations and employs our previous published [J. Chem. Phys. 151, 034303 (2019)] method for projecting time-dependent Cartesian velocities onto normal mode eigenvectors. The computed relaxations cover three types of energies: vibrational, rotational, and Coriolis. In general, rotational and Coriolis relaxations in all modes are initially fast followed by an orders of magnitude slower relaxation. For all modes, that slower relaxation rate is approximately comparable to the vibrational relaxation rate. For all three types of energies, there are small-scale mode-to-mode variations. Of particular prominence is the exceptionally fast relaxation shared in common by the external rotation about the C-N axis, the internal hindered rotation of the CH 3 group relative to the NO 2 group, and the symmetric stretch of the CH 3 group.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Application of the parareal algorithm to simulations of ELMs in ITER plasma

This paper explores the application of the parareal algorithm to simulations of ELMs in ITER plasma. The primary focus of this research is identifying the parameters that lead to optimum performance. Since the plasma dynamics vary extremely fast during an ELM cycle, a straightforward application of the algorithm is not possible and a modification to the standard parareal correction is implemented. The size of the time chunks also have an impact on the performance and needs to be optimized. in conclusion, a computational gain of 7.8 is obtained with 48 processors to illustrate that the parareal algorithm can be successfully applied to ELM plasma.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

High-order upwind schemes for the wave equation on overlapping grids: Maxwell's equations in second-order form

High-order accurate upwind approximations for the wave equation in second-order form on overlapping grids are developed. Although upwind schemes are well established for first-order hyperbolic systems, it was only recently shown by Banks and Henshaw how upwinding could be incorporated into the second-order form of the wave equation. This new upwind approach is extended here to solve the time-domain Maxwell's equations in second-order form; schemes of arbitrary order of accuracy are formulated for general curvilinear grids. Taylor time-stepping is used to develop single-step space-time schemes, and the upwind dissipation is incorporated by embedding the exact solution of a local Riemann problem into the discretization. Second-order and fourth-order accurate schemes are implemented for problems in two and three space dimensions, and overlapping grids are used to treat complex geometry and problems with multiple materials. Stability analysis of the upwind-scheme on overlapping grids is performed using normal mode theory. The stability analysis and computations confirm that the upwind scheme remains stable on overlapping grids, including the difficult case of thin boundary grids when the traditional non-dissipative scheme becomes unstable. The accuracy properties of the scheme are carefully evaluated on a series of classical scattering problems for both perfect conductors and dielectric materials in two and three space dimensions. Finally, the upwind scheme is shown to be robust and provide high-order accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Electrode roughness dependent electrodeposition of sodium at the nanoscale

Na metal is an attractive anode material for rechargeable Na ion batteries, however, the dendritic growth of Na can cause serious safety issues. Along with modifications of solid-electrolyte interphase (SEI), engineering the electrode has been reported to be effective in suppressing Na dendritic growth, likely by reducing localized current density accumulation. However, fundamental understanding of Na growth at the nanoscale is still limited. Here, we report an in-situ study of Na electrodeposition in electrochemical liquid cells with the electrodes in different surface roughness, e.g., flat or sharp curvature. Real time observation using transmission electron microscopy (TEM) reveals the Na electrodeposition with remarkable details. Relatively large Na grains (in the micrometer scale) are achieved on the flat electrode surface. The local SEI thickness variations impact the growth rate, thus the morphology of individual grains. In contrast, small Na grains (in tens of nanometers) grow explosively on the electrode at the point with sharp curvature. The newly formed Na grains preferentially deposit at the base of existing grains close to the electrode. Further studies using continuum-based computational modeling suggest that the growth mode of an alkali metal (e.g. Na) is strongly influenced by the transport properties of SEI. Our direct observation of Na deposition in combination with the theoretical modeling provides insights for comprehensive understanding of electrode roughness and SEI effects on Na electrochemical deposition.

25 ENERGY STORAGE↗