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At least 829 records · Page 46

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Construction of Nitrogen-abundant Graphyne Scaffolds via Mechanochemistry-Promoted Cross-Linking of Aromatic Nitriles with Carbide Toward Enhanced Energy Storage

The 2D graphyne-related scaffolds linked by carbon–carbon triple bonds have demonstrated promising applications in the field of catalysis and energy storage due to their unique features including high conductivity, permanent porosity, and electron-rich properties. However, the construction of related scaffolds is still mainly limited to the cross-linking of CaC 2 with multiple substituted aromatic halogens and there is still a lack of efficient methodology capable of introducing high-concentration heteroatoms within the architectures. The development of alternative and facile synthesis procedures to afford nitrogen-abundant graphyne materials is highly desirable yet challenging in the field of energy storage, particularly via the facile mechanochemical procedure under neat and ambient conditions. Here, in this study, graphyne materials with abundant nitrogen-containing species (nitrogen content of 6.9–29.3 wt.%), tunable surface areas (43–865 m 2 g -1 ), and hierarchical porosity are produced via the mechanochemistry-driven pathway by deploying highly electron-deficient multiple substituted aromatic nitriles as the precursors, which can undergo cross-linking reaction with CaC 2 to afford the desired nitrogen-doped graphyne scaffolds efficiently. Unique structural features of the as-synthesized materials contributed to promising performance in supercapacitor-related applications, delivering high capacitance of 254.5 F g -1 at 5 mV s -1 , attractive rate performance, and good long-term stability.

25 ENERGY STORAGE↗

NASA NTRS1990

Processing of DMSP magnetic data: Handbook of programs, tapes, and datasets

The DMSP F-7 satellite was an operational Air Force meteorological satellite which carried a magnetometer for geophysical measurements. The magnetometer was located within the body of the spacecraft in the presence of large spacecraft fields. In addition to stray magnetic fields, the data have inherent position and time inaccuracies. Algorithms were developed to identify and remove time varying magnetic field noise from the data. These algorithms are embodied in an automated procedure which fits a smooth curve through the data and then identifies outliers and which filters the predominant Fourier component of noise from the data. Techniques developed for Magsat were then modified and used to attempt determination of the spacecraft fields, of any rotation between the magnetometer axes and the spacecraft axes, and of any scale changes within the magnetometer itself. Software setup and usage are documented and program listings are included in the Appendix. The initial and resulting data are archived on magnetic cartridge and the formats are documented.

Langel, R. A.↗

NASA NTRS1980

Application of advanced computational procedures for modeling solar-wind interactions with Venus: Theory and computer code

Computational procedures are developed and applied to the prediction of solar wind interaction with nonmagnetic terrestrial planet atmospheres, with particular emphasis to Venus. The theoretical method is based on a single fluid, steady, dissipationless, magnetohydrodynamic continuum model, and is appropriate for the calculation of axisymmetric, supersonic, super-Alfvenic solar wind flow past terrestrial planets. The procedures, which consist of finite difference codes to determine the gasdynamic properties and a variety of special purpose codes to determine the frozen magnetic field, streamlines, contours, plots, etc. of the flow, are organized into one computational program. Theoretical results based upon these procedures are reported for a wide variety of solar wind conditions and ionopause obstacle shapes. Plasma and magnetic field comparisons in the ionosheath are also provided with actual spacecraft data obtained by the Pioneer Venus Orbiter.

Stahara, S. S.↗

NASA NTRS2014

Assimilation of Dual-Polarimetric Radar Observations with WRF GSI

Dual-polarimetric (dual-pol) radar typically transmits both horizontally and vertically polarized radio wave pulses. From the two different reflected power returns, more accurate estimate of liquid and solid cloud and precipitation can be provided. The upgrade of the traditional NWS WSR-88D radar to include dual-pol capabilities will soon be completed for the entire NEXRAD network. Therefore, the use of dual-pol radar network will have a broad impact in both research and operational communities. The assimilation of dual-pol radar data is especially challenging as few guidelines have been provided by previous research. It is our goal to examine how to best use dual-pol radar data to improve forecast of severe storm and forecast initialization. In recent years, the Development Testbed Center (DTC) has released the community Gridpoint Statistical Interpolation (GSI) DA system for the Weather Research and Forecasting (WRF) model. The community GSI system runs in independently environment, yet works functionally equivalent to operational centers. With collaboration with the NASA Short-term Prediction Research and Transition (SPoRT) Center, this study explores regional assimilation of the dual-pol radar variables from the WSR-88D radars for real case storms. Our presentation will highlight our recent effort on incorporating the horizontal reflectivity (ZH), differential reflectivity (ZDR), specific differential phase (KDP), and radial velocity (VR) data for initializing convective storms, with a significant focus being on an improved representation of hydrometeor fields. In addition, discussion will be provided on the development of enhanced assimilation procedures in the GSI system with respect to dual-pol variables. Beyond the dual-pol variable assimilation procedure developing within a GSI framework, highresolution (≤1 km) WRF model simulations and storm scale data assimilation experiments will be examined, emphasizing both model initialization and short-term forecast of precipitation fields and processes. Further details of the methodology of data assimilation, the impact of different dual-pol variables, the influence on precipitation forecast will be presented at the conference.

Li, Xuanli↗

NASA NTRS2014

Assimilation of Dual-Polarimetric Radar Observations with WRF GSI

Li, Xuanli↗

DOE OSTI2019

A fast Fourier transform-based mesoscale field dislocation mechanics study of grain size effects and reversible plasticity in polycrystals

A numerical implementation of a non-local polycrystal plasticity theory based on a mesoscale version of the field dislocation mechanics theory (MFDM) of Acharya and Roy (2006) is presented using small-strain elasto-viscoplastic fast Fourier transform-based (EVPFFT) algorithm developed by Lebensohn et al. (2012). In addition to considering plastic flow and hardening only due to SSDs (statistically stored dislocations) as in the classic EVPFFT framework, the proposed method accounts for the evolution of GND (geometrically necessary dislocations) densities solving a hyperbolic-type partial differential equation, and GND effects on both plastic flow and hardening. This allows consideration of an enhanced strain-hardening law that includes the effect of the GND density tensor. The numerical implementation of a reduced version of the MFDM is presented in the framework of the FFT-based augmented Lagrangian procedure of Michel et al. (2001). A Finite Differences scheme combined with discrete Fourier transforms is applied to solve both incompatibility and equilibrium equations. The numerical procedure named MFDM-EVPFFT is used to perform full field simulations of polycrystal plasticity considering different grain sizes and their mechanical responses during monotonic tensile and reversible tension-compression tests. Using Voronoi tessellation and periodic boundary conditions, voxelized representative volume elements (RVEs) with different grain sizes are generated. With MFDM-EVPFFT, a Hall-Petch type scaling law is obtained in contrast with the conventional crystal plasticity EVPFFT. In the case of reversible plasticity, a stronger Bauschinger effect is observed with the MFDM-EVPFFT approach in comparison with conventional EVPFFT. Here, the origin of these differences is analyzed in terms of heterogeneity, GND density and stress evolutions during the compression stage.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Supersymmetric analysis of the Dirac-Weyl operator within PT symmetry

Two-dimensional effective Hamiltonian for a massless Dirac electron interacting with a hyperbolic magnetic field is discussed within PT symmetry. Factorization method and polynomial procedures are used to solve Dirac equation for the constant Fermi velocity and the effective potential which is complex Scarf II potential. The more general effective Scarf II potential models are also obtained within pseudo-supersymmetry. Finally, an extension of Panella and Roy's work [Phys. Lett. A 376, 2580–2583 (2012)] to the both PT symmetric and real Scarf II partner potentials is given using the position dependent Fermi velocity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

SU-E-E-08: Applications of the Quantization of Coupled Circuits in Radiation Physics (design of Klystron, Bremsstrahlung, Synchrotron)

Purpose: During the past decade the quantization of coupled/forced electromagnetic circuits with or without Ohm’s resistance has gained the subject of some fundamental studies, since even problems of quantum electrodynamics can be solved in an elegant manner, e.g. the creation of quantized electromagnetic fields. In this communication, we shall use these principles to describe optimization procedures in the design of klystrons, synchrotron irradiation and high energy bremsstrahlung. Methods: The base is the Hamiltonian of an electromagnetic circuit and the extension to coupled circuits, which allow the study of symmetries and perturbed symmetries in a very apparent way (SU2, SU3, SU4). The introduction resistance and forced oscillators for the emission and absorption in such coupled systems provides characteristic resonance conditions, and atomic orbitals can be described by that. The extension to virtual orbitals leads to creation of bremsstrahlung, if the incident electron (velocity v nearly c) is described by a current, which is associated with its inductivitance and the virtual orbital to the charge distribution (capacitance). Coupled systems with forced oscillators can be used to amplify drastically the resonance frequencies to describe klystrons and synchrotron radiation. Results: The cross-section formula for bremsstrahlung given by the propagator method of Feynman can readily be derived. The design of klystrons and synchrotrons inclusive the radiation outcome can be described and optimized by the determination of the mutual magnetic couplings between the oscillators induced by the currents. Conclusions: The presented methods of quantization of circuits inclusive resistance provide rather a straightforward way to understand complex technical processes such as creation of bremsstrahlung or creation of radiation by klystrons and synchrotrons. They can either be used for optimization procedures and, last but not least, for pedagogical purposes with regard to a qualified understanding of radiation physics for students.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Floquet engineering with spatially nonuniform driving fields

In Floquet engineering, we apply a time-periodic modulation to change the effective behavior of a wave system. In this work, we generalize Floquet engineering to more fully exploit spatial degrees of freedom, expanding the scope of effective behaviors we can access. We develop a perturbative procedure to engineer space-time dependent driving forces that effectively transform broad classes of tight-binding systems into one another. We demonstrate several applications, including removing disorder, undoing Anderson localization, and enhancing localization to an extreme in spatially modulated waveguides. This procedure straightforwardly extends to other types of physical systems and different Floquet driving field implementations.

42 ENGINEERING↗

NASA NTRS1989

Navier-Stokes and viscous-inviscid interaction

Some considerations toward developing numerical procedures for simulating viscous compressible flows are discussed. Both Navier-Stokes and boundary layer field methods are considered. Because efficient viscous-inviscid interaction methods have been difficult to extend to complex 3-D flow simulations, Navier-Stokes procedures are more frequently being utilized even though they require considerably more work per grid point. It would seem a mistake, however, not to make use of the more efficient approximate methods in those regions in which they are clearly valid. Ideally, a general purpose compressible flow solver that can optionally take advantage of approximate solution methods would suffice, both to improve accuracy and efficiency. Some potentially useful steps toward this goal are described: a generalized 3-D boundary layer formulation and the fortified Navier-Stokes procedure.

Steger, Joseph L.↗

NASA NTRS1986

The interstellar carbon abundance. II - Rho Ophiuchi and Beta Scorpii

A procedure designed to obtain increased sensitivity from high-dispersion IUE spectra by using a flat-field spectrum to remove nonrandom noise due to the response pattern of the SEC vidicon detector is described. Application of this procedure to spectra of Rho Oph and Beta(1) Sco near the spin-forbidden interstellar 2325 line of C II yields 2 sigma upper limits on absorption of W (lambda) not greater than about 4 mA. The resulting depletion of carbon from the interstellar gas toward Rho Oph exceeds a factor of 1.4.

Welty, D. E.↗

NASA NTRS1987

A three-dimensional dual potential procedure with applications to wind tunnel inlets and interacting boundary layers

A dual potential decomposition of the velocity field into a scalar and a vector potential function is extended to three dimensions and used in the finite-difference simulation of steady three-dimensional inviscid rotational flows and viscous flow. The finite-difference procedure was used to simulate the flow through the 80 by 120 ft wind tunnel at NASA Ames Research Center. Rotational flow produced by the stagnation pressure drop across vanes and screens which are located at the entrance of the inlet is modeled using actuator disk theory. Results are presented for two different inlet vane and screen configurations. The numerical predictions are in good agreement with experimental data. The dual potential procedure was also applied to calculate the viscous flow along two and three dimensional troughs. Viscous effects are simulated by injecting vorticity which is computed from a boundary layer algorithm. For attached flow over a three dimensional trough, the present calculations are in good agreement with other numerical predictions. For separated flow, it is shown from a two dimensional analysis that the boundary layer approximation provides an accurate measure of the vorticity in regions close to the wall; whereas further away from the wall, caution has to be exercised in using the boundary-layer equations to supply vorticity to the dual potential formulation.

Rao, K. V.↗

NASA NTRS2001

Improving Ocean Angular Momentum Estimates Using a Model Constrained by Data

Ocean angular momentum (OAM) calculations using forward model runs without any data constraints have, recently revealed the effects of OAM variability on the Earth's rotation. Here we use an ocean model and its adjoint to estimate OAM values by constraining the model to available oceanic data. The optimization procedure yields substantial changes in OAM, related to adjustments in both motion and mass fields, as well as in the wind stress torques acting on the ocean. Constrained and unconstrained OAM values are discussed in the context of closing the planet's angular momentum budget. The estimation procedure, yields noticeable improvements in the agreement with the observed Earth rotation parameters, particularly at the seasonal timescale. The comparison with Earth rotation measurements provides an independent consistency check on the estimated ocean state and underlines the importance of ocean state estimation for quantitative. studies of the variable large-scale oceanic mass and circulation fields, including studies of OAM.

Ponte, Rui M.↗

NASA NTRS1974

A weak interaction study of the viscous flow about oscillating airfoils

An incompressible inviscid and a viscous flow calculation procedure is developed by assuming the viscous correction to the inviscid flow pressure distribution is small (weak interaction) to predict the flow about airfoils oscillating in pitch and heave. The calculations made in the investigation predict the detailed viscous flow regions including transition and separation phenomena and provide a detailed analysis of leading edge separation, transition, and reattachment. Results from the calculation show the leading edge viscous flow field to be quasi-steady although the imposed inviscid pressure distribution shows significant unsteady effects. Although unable to predict the flow field about a stalled airfoil, the indications are that the present procedure can indicate the onset of catastrophic flow separation.

Shamroth, S. J.↗

NASA NTRS1983

Numerical computation of transonic flow governed by the full-potential equation

Numerical solution techniques for solving transonic flow fields governed by the full potential equation are discussed. In a general sense relaxation schemes suitable for the numerical solution of elliptic partial differential equations are presented and discussed with emphasis on transonic flow applications. The presentation can be divided into two general categories: An introductory treatment of the basic concepts associated with the numerical solution of elliptic partial differential equations and a more advanced treatment of current procedures used to solve the full potential equation for transonic flow fields. The introductory material is presented for completeness and includes a brief introduction (Chapter 1), governing equations (Chapter 2), classical relaxation schemes (Chapter 3), and early concepts regarding transonic full potential equation algorithms (Chapter 4).

Holst, T. L.↗

NASA NTRS1995

Determination of Quantum Chemistry Based Force Fields for Molecular Dynamics Simulations of Aromatic Polymers

Ab initio quantum chemistry calculations for model molecules can be used to parameterize force fields for molecular dynamics simulations of polymers. Emphasis in our research group is on using quantum chemistry-based force fields for molecular dynamics simulations of organic polymers in the melt and glassy states, but the methodology is applicable to simulations of small molecules, multicomponent systems and solutions. Special attention is paid to deriving reliable descriptions of the non-bonded and electrostatic interactions. Several procedures have been developed for deriving and calibrating these parameters. Our force fields for aromatic polyimide simulations will be described. In this application, the intermolecular interactions are the critical factor in determining many properties of the polymer (including its color).

Jaffe, Richard↗

NASA NTRS1987

Navier-Stokes analysis of two- and three-dimensional flow field in solid rocket motors with segment joints

A multidimensional implicit Navier-Stokes analysis which uses numerical solution of ensemble-averaged Navier-Stokes equations in a nonorthogonal bodyfitted cylindrical-polar coordinate system has been applied to simulation of the internal flow field in solid-propellant rocket motor chambers with segment joints. The calculation procedure incorporates a two-equation (k-epsilon) turbulence model and utilizes a consistently split, linearized block-implicit algorithm for numerical solution of the governing equations. Computations performed to simulate the axisymmetric flow field in the vicinity of the aft field joint in the Space Shuttle SRB using 14,725 grid points show the presence of a region of reversed axial flow near the downstream edge of the slot. Calculations were also performed for two cases involving asymmetric three-dimensional flow in the vicinity of the aft field joint in the SRB using 721,525 grid points to estimate circumferential velocities and pressure gradients at the joint.

Sabnis, J. S.↗

NASA NTRS1994

On the Validation of Satellite-Derived Sea Ice Surface Temperature

The surface temperature of sea ice controls the rate of ice growth and heat exchange between the ocean and the atmosphere. An algorithm for the satellite retrieval of ice surface temperature has recently been published, but due to the lack of validation data has not been extensively tested. In this paper, data from a recent Arctic field experiment is used in an attempt to validate that algorithm. While the procedure is, in principle, straightforward, we demonstrate that validation is complicated by a variety of factors, including incorrectly assumed atmospheric conditions, undetected clouds in the satellite data, spatial and temporal variability in the surface temperature field, and surface and satellite measurement errors. Comparisons between surface temperatures determined from upwelling broadband longwave radiation, spatial measurements of narrow-band radiation, thermocouples buried just below the snow surface, and narrow-band satellite data show differences of 1 to 3 deg. C. The range in these independent measurements indicates the need for specially designed validation experiments utilizing narrow-band radiometers on aircraft to obtain broad spatial coverage.

Key, J.↗