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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 883 records · Page 49

Implementation of Vigneron's streamwise pressure gradient approximation in the PNS equations

For single sweep parabolized Navier-Stokes solvers, the streamwise pressure gradient must be modified in the subsonic region to eliminate numerical instabilities. The accuracy of this modification on the solution of the parabolized Navier-Stokes equations with Vigneron's technique is shown to depend on how the numerical approximation of the pressure gradient is formed. A simple test case of supersonic laminar flow over a flat plate is computed with two different numerical methods for solving the PNS equations. Significant errors in the temperature profile and skin friction coefficient are demonstrated using a fully conservative differencing treatment of Vigneron's splitting for the pressure gradient typically used in parabolized Navier-Stokes solvers. The physical reason for this error is discussed. An alternate formulation is demonstrated which minimizes these errors.

Morrison, Joseph H.↗

Designing Bolted Joints Between Composite Plates

Simplified methods developed for use in preliminary design and analysis of bolted joints between flat composite-material plates loaded in tension. Analysis also applicable to joints between composite and metal plates. Methods based on approximate equations for limiting stresses in single-bolt joint in five modes of failure: local-bearing-failure, net tension, wedge-type splitting, shear-out, and tension with shear-out.

Chamis, Christos C.↗

Noise Generation in Hot Jets

A prediction method based on the generalized acoustic analogy is presented, and used to evaluate aerodynamic noise radiated from high speed hot jets. The set of Euler equations are split into their respective non-radiating and residual components. Under certain conditions, the residual equations are rearranged to form a wave equation. This equation consists of a third-order wave operator, plus a number of nonlinear terms that are identified with the equivalent sources of sound and their statistical characteristics are modeled. A specialized RANS solver provides the base flow as well as turbulence quantities and temperature fluctuations that determine the source strength. The main objective here is to evaluate the relative contribution from various source elements to the far-field spectra and to show the significance of temperature fluctuations as a source of aerodynamic noise in hot jets.

Khavaran, Abbas↗

Three dimensional imaging utilizing structured light

This paper describes a method of remote sensing 3-dimensional structure of the proximity utilizing a laser, a holographic grating, and a single regular CCD camera. Basically, the laser beam is split by a holographic grating to form a regular spaced grid of laser beams that are projected into the field of view of a CCD camera.

Chang, Johnny↗

A numerical method for solving the three-dimensional parabolized Navier-Stokes equations

A numerical technique that solves the parabolized form of the Navier-Stokes equations is presented. Such a method makes it possible to obtain very detailed descriptions of the flowfield in a relatively modest CPU time. The present approach is based on a space-marching technique, uses a finite volume discretization and an upwind flux-difference splitting scheme for the evaluation of the inviscid fluxes. Second order accuracy is achieved following the guidelines of the the ENO schemes. The methodology is used to investigate three-dimensional supersonic viscous flows over symmetric corners. Primary and secondary streamwise vortical structures embedded in the boundary layer and originated by the interaction with shock waves are detected and studied. For purpose of validation, results are compared with experimental data extracted from literature. The agreement is found to be satisfactory. In conclusion, the numerical method proposed seems to be promising as it permits, at a reasonable computational expense, investigation of complex three-dimensional flowfields in great detail.

Dambrosio, Domenic↗

Density split statistics: Joint model of counts and lensing in cells

We present density split statistics, a framework that studies lensing and counts-in-cells as a function of foreground galaxy density, thereby providing a large-scale measurement of both 2-point and 3-point statistics. Our method extends our earlier work on trough lensing and is summarized as follows: given a foreground (low redshift) population of galaxies, we divide the sky into subareas of equal size but distinct galaxy density. We then measure lensing around uniformly spaced points separately in each of these subareas, as well as counts-in-cells statistics (CiC). The lensing signals trace the matter density contrast around regions of fixed galaxy density. Through the CiC measurements this can be related to the density profile around regions of fixed matter density. Together, these measurements constitute a powerful probe of cosmology, the skewness of the density field and the connection of galaxies and matter. In this paper we show how to model both the density split lensing signal and CiC from basic ingredients: a non-linear power spectrum, clustering hierarchy coefficients from perturbation theory and a parametric model for galaxy bias and shot-noise. Furthermore, using N-body simulations, we demonstrate that this model is sufficiently accurate for a cosmological analysis on year 1 data from the Dark Energy Survey.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Ab Initio Methods for L-edge X-ray Absorption Spectroscopy

The theoretical prediction of X-ray absorption spectra (XAS) has become common- place in electronic structure theory. The ability to better model and understand L-edge spectra is of great interest in the study of transition metal complexes and a wide variety of solid state materials. However, until recently few rst-principles works have mod- eled L-edge XAS due to the presence of strong spin-orbit coupling in the 2p orbitals which splits the observed peaks into multiple groups of features. Therefore, a proper description of spin-orbit coupling is vital for the successful prediction of L-edge spectra. A number of new approaches that incorporate spin-orbit coupling have recently made advances in the computation of L-edge spectra. In this review, we describe recent work in computational L-edge XAS and how these methods may continue to improve in the future. Comparison of the advantages and disadvantages of the various approaches are considered, with special attention to not only the computational cost of the level of theory, but also the various approaches that can be used to compute the absorption spectra with a large number of high energy excited states.

Kasper, Joseph M.↗

Direct Laser Writing of Multimetal Bifunctional Catalysts for Overall Water Splitting

Water electrolysis is of interest as a sustainable way to produce clean hydrogen and oxygen fuel and help mitigate the rising problems of climate change while meeting global energy demands. High-efficiency, stable, and earth-abundant bifunctional catalysts are needed to enable more effective electrochemical cells for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). Here, we investigate the synthesis, composition, performance, and mechanism of multimetal catalysts serving dual functionality in both OER and HER of water electrolysis. Through a laser synthesis method, we synthesized heterogeneous catalysts of nanocrystalline multimetallic alloy pockets embedded within an amorphous oxide matrix. We evaluated the performance and composition of a range of mixed transition-metal oxide materials for both OER and HER, ultimately synthesizing a Cr 0.01 Fe 0.27 Co 0.34 Ni 0.38 O x /C y catalyst that has a stable, high-rate, and competitive overall water splitting performance of 1.76 V at 100 mA cm –2 in an alkaline medium. Using density functional theory to gain insight as the active site and mechanism, we propose that the inclusion of a minor amount of Cr increases the degeneracy of energetic states that lowers the cost of forming the O 2 p–d bond and H 1 s–d bond due to the hybridization of s, p, and d orbitals from Cr. Using a two-electrode water electrolysis cell with a constant potential of 1.636 V to mimic the setup for fuel production, we found the catalyst to be stable at 14–15 mA cm –2 for 40 h. Furthermore, this laser synthesis method allowing for facile and rapid synthesis of complex multimetal systems demonstrates how doping a Fe, Co, and Ni heterogeneous amorphous/nanocrystalline structure with small amounts of Cr is important for bifunctional catalytic behavior, particularly for increasing HER functionality in advancing our understanding for future electrocatalytic design.

08 HYDROGEN↗

Design Considerations and Analysis of Multi-Level Erasure Coding in Large-Scale Data Centers

Multi-level erasure coding (MLEC) has seen large deployments in the field, but there is no in-depth study of design considerations for MLEC at scale. In this paper, we provide comprehensive design considerations and analysis of MLEC at scale. We introduce the design space of MLEC in multiple dimensions, including various code parameter selections, chunk placement schemes, and various repair methods. We quantify their performance and durability, and show which MLEC schemes and repair methods can provide the best tolerance against independent/correlated failures and reduce repair network traffic by orders of magnitude. To achieve this, we use various evaluation strategies including simulation, splitting, dynamic programming, and mathematical modeling. We also compare the performance and durability of MLEC with other EC schemes such as SLEC and LRC and show that MLEC can provide high durability with higher encoding throughput and less repair network traffic over both SLEC and LRC.

Wang, Meng↗

Low-Cost Preform and Molding Processes

The entry cost for prototyping a composite component for manufacture using automated, high rate processes is prohibitively expensive in many cases, especially for small business, where tooling costs may be several $100k. Discussions with industry also indicate that many small companies, tier 1 and 2 suppliers, have an interest to mold composite parts but do not want to deal with the capital cost, material handling issues, and labor associated with dry fiber preforming operations. While the molders may locate near the end user for logistics reasons, it may be more cost effective for the performer to remain regional and invest in capital equipment to support preform automation, thus keeping costs to a minimum. This project was designed to explore and demonstrate several options to meet these industry needs. Dry fiber preforming approaches were evaluated which allow for low pressure resin infusion, single sided tooling options such a vacuum assisted resin transfer molding (VARTM) or low pressure resin transfer molding (RTM-light). Unlike sheet molding compound, SMC compression molding where typical molding pressures of 1000 psi are required to push material into the desired location; positioning of a dry fiber preform into the desired location on the tool allows for low molding pressures of 10-50 psi. Lower molding pressures allow for use of low cost, additive fabrication of polymeric tooling. Polymeric tooling is suitable for rapid part prototyping and limited production. Dry fiber preforming approaches evaluated included use of commercial chopped strand mat, robotic chopper gun deposition, and continuous fiber preform augmentation using tailored fiber placement (TFP). Use of chopped strand mat does not require a robotic deposition method, however a cutting table is generally required and there is typically 20-30% scrap generation. While various fiber areal weights are available, the preform is not readily optimized for minimal fiber use or weight savings. In contrast, a robotic chopper gun approach allows for localized deposition where fiber is required to meet structural requirements. The robotic method is highly automated and minimizes fiber scrap, however the capital cost of the equipment and engineering labor for programming can result in higher preform cost compared to chopped strand mat in certain cases depending on preform complexity. Dry fiber preforming using the robotic chopper gun method allows for creation of three dimensional forms. This approach may be ideal for molding in-house, or if the preforms stack together densely to allow for efficient shipping. Applications evaluated for this program considered trade-off between fabrication of a fully 3D preform versus production of a flat preform which is designed to readily drape into the final desired shape. Such a preform design greatly simplifies robotic programming and requires no specialized tooling. The flat preforms are easily stacked and shipped to the final molding location. Flat preforms are much easier to augment with TFP continuous fiber to provide local reinforcement. The demonstration and evaluation of these preforming and tooling methods were completed on three component applications. The first application was a battery box cover for an electric vehicle which was highly three dimensional. The second demonstrator article was comprised of complex contours and was used to demonstrate the use of TFP and RTM-light molding process. The third demonstration article was the roof of an operator’s cab for large construction equipment. The roof is relatively flat however it is comprised of complex changes in thickness which clearly demonstrate the advantage of robotic chopper gun approach as compared to using numerous preform layers of chopped strand mat. The cost trades for the various preforming methods are summarized to help guide the reader as to preforming method considerations. Finally, these demonstrations all used glass fiber roving. A fourth, exploratory task was added to evaluate the ability to make preforms using Zoltek’s carbon fiber split tow roving. We were able to adapt the chopper gun to make flat preforms for laminate testing, but further development effort would be required to make suitable preforms.

36 MATERIALS SCIENCE↗

An explicit algorithm for a fluid approach to nonlinear optics propagation using splitting and rezoning techniques

The paper presents a three-dimensional analysis of the nonlinear light matter interaction in a hydrodynamic context. It is reported that the resulting equations are a generalization of the Navier-Stokes equations subjected to an internal potential which depends solely upon the fluid density. In addition, three numerical approaches are presented to solve the governing equations using an extension of McCormack predict-corrector scheme. These are a uniform grid, a dynamic rezoned grid, and a splitting technique. It is concluded that the use of adaptive mapping and splitting techniques with McCormack two-level predictor-corrector scheme results in an efficient and reliable code whose storage requirements are modest compared with other second order methods of equal accuracy.

Mattar, F. P.↗

Band-pass filtering of one year of daily mean pressures on Mars

The sol-mean atmospheric pressures measured at the two Viking landers exhibit fluctuations ranging in period from seasonal to a few days. The time series are highly nonstationary, which severely limits standard methods such as power-spectrum analysis. Advantage is taken of the rather precise annual periodicity of these data to design sharp numerical filters and use them to split the series at each lander into six time series, each containing oscillations associated with a discrete frequency band. This analysis reveals 2- to 4-sol waves during the cold seasons at both landers, and 8-sol waves during the spring at Lander 2, confirming previous results from spectral analysis. As previously predicted, high-frequency waves appear suppressed during the second dust storm. Certain low-frequency signals, probably associated with the global dust storms, are detected and demonstrated to be significant for the first time.

Niver, D. S.↗

Model-size reduction for the buckling and vibration analyses of anisotropic panels

A computational procedure is presented for reducing the size of the model used in the buckling and vibration analyses of symmetric anisotropic panels to that of the corresponding orthotropic model. The key elements of the procedure are the application of an operator splitting technique through the decomposition of the material stiffness matrix of the panel into the sum of orthotropic and nonorthotropic (anisotropic) parts and the use of a reduction method through successive application of the finite element method and the classical Rayleigh-Ritz technique. The effectiveness of the procedure is demonstrated by numerical examples.

Noor, A. K.↗

Surface pressure fluctuations due to impinging vortical flows upon an airfoil

A vortical flow impinging upon an airfoil is studied for the case of a strong vortical flow passing close by the airfoil leading and trailing edge. The vortical flow, having a nonuniform vorticity distribution in the core, is distorted and splits as it nears the leading edge of the airfoil. Significant pressure fluctuation occurs near the leading edge, which becomes a source of noise and vibration. A vortex method and a panel method are used to calculate the highly nonlinear, unsteady and rotational flow during the interaction. The flow is assumed to be two dimensional, incompressible and inviscid. The nonuniform vorticity in the vortex core is represented by multiple, discrete vortex elements whose strengths are variable depending on the initial velocity profile. Detailed surface pressure and vortex velocity vectors are calculated. The surface pressure is decomposed into quasi-steady and unsteady pressure, sometimes called 'impulsive pressure'. The first time derivative of the pressure related the strength of the noise, and its r.m.s. values are also calculated.

Lee, D. J.↗

Numerical Modeling of a Vortex Stabilized Arcjet

Arcjet thrusters are being actively considered for use in Earth orbit maneuvering applications. Experimental studies are currently the chief means of determining an optimal thruster configuration. Earlier numerical studies have failed to include all of the effects found in typical arcjets including complex geometries, viscosity, and swirling flow. Arcjet geometries are large area ratio converging nozzles with centerbodies in the subsonic portion of the nozzle. The nozzle walls serve as the anode while the centerbody functions as the cathode. Viscous effects are important because the Reynolds number, based on the throat radius, is typically less than 1,000. Experimental studies have shown that a swirl or circumferential velocity component stabilizes a constricted arc. This dissertation describes the equations governing flow through a constricted arcjet thruster. An assumption that the flowfield is in local thermodynamic equilibrium leads to a single fluid plasma temperature model. An order of magnitude analysis reveals the governing fluid mechanics equations are uncoupled from the electromagnetic field equations. A numerical method is developed to solve the governing fluid mechanics equations, the Thin Layer Navier-Stokes equations. A coordinate transformation is employed in deriving the governing equations to simplify the application of boundary conditions in complex geometries. An axisymmetric formulation is employed to include the swirl velocity component as well as the axial and radial velocity components. The numerical method is an implicit finite-volume technique and allows for large time steps to reach a converged steady-state solution. The inviscid fluxes are flux-split, and Gauss-Seidel line relaxation is used to accelerate convergence. Converging-diverging nozzles with exit-to-throat area ratios up to 100:1 and annular nozzles were examined. Quantities examined included Mach number and static wall pressure distributions, and oblique shock structures. As the level of swirl and viscosity in the flowfield increased the mass flow rate and thrust decreased. The technique was used to predict the flow through a typical arcjet thruster geometry. Results indicate swirl and viscosity play an important role in the complex geometry of an arcjet.

Pawlas, Gary E.↗

On the Performance of TCP Spoofing in Satellite Networks

In this paper, we analyze the performance of Transmission Control Protocol (TCP) in a network that consists of both satellite and terrestrial components. One method, proposed by outside research, to improve the performance of data transfers over satellites is to use a performance enhancing proxy often dubbed 'spoofing.' Spoofing involves the transparent splitting of a TCP connection between the source and destination by some entity within the network path. In order to analyze the impact of spoofing, we constructed a simulation suite based around the network simulator ns-2. The simulation reflects a host with a satellite connection to the Internet and allows the option to spoof connections just prior to the satellite. The methodology used in our simulation allows us to analyze spoofing over a large range of file sizes and under various congested conditions, while prior work on this topic has primarily focused on bulk transfers with no congestion. As a result of these simulations, we find that the performance of spoofing is dependent upon a number of conditions.

Ishac, Joseph↗

Sustainable Oxide Electrocatalyst for Hydrogen- and Oxygen-Evolution Reactions

In this work, an electrocatalyst for water splitting based on earth-abundant metals is reported. This perovskite-oxide catalyst, CaSrFe 0.75 Co 0.75 Mn 0.5 O 6-δ (CSFCM), is examined using both experimental and computational methods. It demonstrates a combination of properties, which include (a) very high activity for the oxygen-evolution reaction with an overpotential of eta = 0.19 V at 10 mA/cm 2 , (b) high stability over 1000 cycles of catalysis, (c) the ability to catalyze the hydrogen-evolution reaction effectively in both acidic and basic conditions, and (d) catalytic activity as a single-phase bulk material without the need for any additional processing, multicomponent composite preparation, or nanofabrication. Therefore, the catalytic activity of CSFCM is intrinsic, making it a good benchmark compound for future studies of electrocatalytic parameters. This work also highlights the impact of systematic structural design on electrocatalytic activity. Results from density functional theory calculations indicate that in addition to an optimal e g occupancy of similar to 1, an additional descriptor, i.e., maximizing the number of free e g carriers, correlates with the electrocatalytic activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Band structures and Z 2 invariants of two-dimensional transition metal dichalcogenide monolayers from fully relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals

Two-dimensional (2D) materials exhibit a wide range of remarkable phenomena, many of which owe their existence to the relativistic spin-orbit coupling (SOC) effects. To understand and predict properties of materials containing heavy elements, such as the transition-metal dichalcogenides (TMDs), relativistic effects must be taken into account in first-principles calculations. We present an all-electron method based on the four-component Dirac Hamiltonian and Gaussian-type orbitals (GTOs) that overcomes complications associated with linear dependencies and ill-conditioned matrices that arise when diffuse functions are included in the basis. Until now, there has been no systematic study of the convergence of GTO basis sets for periodic solids either at the nonrelativistic or the relativistic level. Here, in this study, we provide such a study of relativistic band structures of the 2D TMDs in the hexagonal (2H), tetragonal (1T), and distorted tetragonal (1T') structures, along with a discussion of their SOC-driven properties (Rashba splitting and Z 2 topological invariants). We demonstrate the viability of our approach even when large basis sets with multiple basis functions involving various valence orbitals (denoted triple- and quadruple-ζ) are used in the relativistic regime. Our method does not require the use of pseudopotentials and provides access to all electronic states within the same framework. Our study paves the way for direct studies of material properties, such as the parameters in spin Hamiltonians, that depend heavily on the electron density near atomic nuclei where relativistic and SOC effects are the strongest.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗