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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Embedded function methods for compressible high speed turbulent flow

Fundamental issues relating to compressible turbulent flow are addressed. The focus has been on developing methods and testing concepts for attached flows rather than trying to force a conventional law of the wall into a zone of backflow. Although the dynamics of the near-wall flow in an attached turbulent boundary layer are relatively well documented, the dynamical features of a zone of reversed turbulent flow are not, nor are they well understood. Incompressibility introduces effects and issues that have been dealt with only marginally in the literature, therefore, the present work has been focussed on attached high-speed flows. The wall function method has been extended up through the supersonic to hypersonic speeds. Algorithms have been successfully introduced into the code that calculates the flow all the way to the wall, and testing is being carried out for progressively more complex flow situations.

Walker, J. D. A.↗
DOE OSTI2021

Characterization of mechanical discontinuities based on data-driven classification of compressional-wave travel times

Wave propagation and diffusive transport phenomena are influenced by the mechanical discontinuities in material. Here this study shows that certain bulk properties of the network of low-velocity mechanical discontinuities (e.g. air-filled cracks) in a material can be characterized by processing compressional-wave travel times using traditional data-driven classification techniques. To that end, we perform three tasks in chronological order: (1) use the discrete fracture network (DFN) method to create two-dimensional (2D) numerical models of crack-bearing material embedded with various types of low-velocity mechanical discontinuities, (2) use the fast marching method (FMM) to simulate the propagation of the wave/diffusion front from a single source through the 2D crack-bearing material to multiple receivers placed on the boundary of the material, and (3) train 9 data-driven classifiers to characterize the crack-bearing materials (i.e. bulk properties of the network of mechanical discontinuities in the crack-bearing material) by learning from the simulations of travel times detected by multiple receivers placed around the crack-bearing material. The classifiers identified the orientation, spatial distribution, and dispersion of the low-velocity mechanical discontinuities. Voting classifier performs the best among the 9 classifiers. For the characterization of bulk dispersion and distribution of discontinuities, the sensors located on the adjacent boundaries are more important; whereas for the characterization of bulk orientation of discontinuities, the sensors located on the opposite side are more important.

42 ENGINEERING↗
NASA NTRS1985

Overset grids in compressible flow

Numerical experiments have been performed to investigate the importance of boundary data handling with overset grids in computational fluid dynamics. Experience in using embedded grid techniques in compressible flow has shown that shock waves which cross grid boundaries become ill defined and convergence is generally degraded. Numerical boundary schemes were studied to investigate the cause of these problems and a viable solution was generated using the method of characteristics to define a boundary scheme. The model test problem investigated consisted of a detached shock wave on a 2-dimensional Mach 2 blunt, cylindrical body.

Eberhardt, S.↗
NASA NTRS1991

Kinematic domain decomposition for boundary-motion-induced flow simulations

A method is developed to solve the unsteady Navier-Stokes equations on a composite grid, which consists of subdomain grids moving with respect to each other. These subdomains are structured grids with different topologies. This method eliminates assuming the moving components to be instantaneously stationary, where deciding on the particular frozen instants is difficult and affects the solution adversely. Moreover, this method captures the boundary-motion-induced flow component. The method is demonstrated through a transonic flow past an airfoil, which experiences a combined motion of pitching and plunging. An O-grid around the airfoil is overlapped on a fine Cartesian grid, which is zonally embedded in a coarse Cartesian grid. The coarse grid is stationary but the other two grids are plunging. Only the O-grid is also sinusoidally pitching. The results are compared successfully with the experimental data.

Baysal, Oktay↗
DOE OSTI2023

Extensive 3D mapping of dislocation structures in bulk aluminum

Abstract Thermomechanical processing such as annealing is one of the main methods to tailor the mechanical properties of materials, however, much is unknown about the reorganization of dislocation structures deep inside macroscopic crystals that give rise to those changes. Here, we demonstrate the self-organization of dislocation structures upon high-temperature annealing in a mm-sized single crystal of aluminum. We map a large embedded 3D volume ( $$100\times 300\times 300$$ 100 × 300 × 300 $$\upmu$$ μ m $$^3$$ 3 ) of dislocation structures using dark field X-ray microscopy (DFXM), a diffraction-based imaging technique. Over the wide field of view, DFXM’s high angular resolution allows us to identify subgrains, separated by dislocation boundaries, which we identify and characterize down to the single-dislocation level using computer-vision methods. We demonstrate how even after long annealing times at high temperatures, the remaining low density of dislocations still pack into well-defined, straight dislocation boundaries (DBs) that lie on specific crystallographic planes. In contrast to conventional grain growth models, our results show that the dihedral angles at the triple junctions are not the predicted 120 $$^{\circ }$$ ∘ , suggesting additional complexities in the boundary stabilization mechanisms. Mapping the local misorientation and lattice strain around these boundaries shows that the observed strain is shear, imparting an average misorientation around the DB of $$\approx$$ ≈ 0.003 to 0.006 $$^{\circ }$$ ∘ .

36 MATERIALS SCIENCE↗
DOE OSTI2022

Single- and two-particle finite size effects in interacting lattice systems

Simulations of extended quantum systems are typically performed by extrapolating results of a sequence of finite-system-size simulations to the thermodynamic limit. In the quantum Monte Carlo community, twist-averaging was pioneered as an efficient strategy to eliminate one-body finite size effects. In the dynamical mean field community, cluster generalizations of the dynamical mean field theory were formulated to study systems with nonlocal correlations. In this work, we put the twist-averaging and the dynamical cluster approximation variant of the dynamical mean field theory onto equal footing, discuss commonalities and differences, and compare results from both techniques to the standard periodic boundary technique. At the example of Hubbard-type models with local, short-range and Yukawa-like longer range interactions we show that all methods converge to the same limit, but that the convergence speed differs in practice. We show that embedding theories are an effective tool for managing both one-body and two-body finite size effects, in particular if interactions are averaged over twist angles.

36 MATERIALS SCIENCE↗
NASA NTRS1985

A 3-D chimera grid embedding technique

A three-dimensional (3-D) chimera grid-embedding technique is described. The technique simplifies the construction of computational grids about complex geometries. The method subdivides the physical domain into regions which can accommodate easily generated grids. Communication among the grids is accomplished by interpolation of the dependent variables at grid boundaries. The procedures for constructing the composite mesh and the associated data structures are described. The method is demonstrated by solution of the Euler equations for the transonic flow about a wing/body, wing/body/tail, and a configuration of three ellipsoidal bodies.

Benek, J. A.↗
DOE OSTI2022

Design of a Combined Proportional Integral Derivative Controller to Regulate the Temperature Inside a High-Temperature Tubular Solar Reactor

Solar fuels are proven to be promising candidates for thermochemical energy storage. However, the transient nature of solar radiation is an obstacle to maintaining a stable operational temperature inside a solar reactor. To overcome this challenge, the temperature of a solar reactor can be regulated by controlling the incoming solar radiation or the feedstock flowrate inside the reactor. In this work, a combined proportional integral derivative (PID) controller is implemented to regulate the temperature inside a high-temperature tubular solar reactor with counter-current flowing gas/particles. The control model incorporates two control systems to regulate incoming solar radiation and gas flow simultaneously. The design of the controller is based on a reduced-order numerical model of a high-temperature tubular solar reactor that is vertically oriented with an upward gas flow and downward particle flow. The reactor receives heat circumferentially through its wall over a finite segment of its length. Formulation of the heat transfer model is presented by applying the energy balance for the reactor tube and considering heat and mass transfer inside. A set of governing differential equations are solved numerically by using the finite volume method to obtain reactor wall, particles, and gas temperatures along the reactor length with various boundary conditions. Simulation results are used to tune the PID controller parameters by utilizing the Ziegler–Nichols tuning method. Both the simulation results and the controller performance are visualized on the LABVIEW platform. The controller is challenged to track different temperature setpoints with different scenarios of transient solar radiation. Here, the performance of the PID controller was compared to experimental results obtained from an industrial PID controller embedded in a 7 kW electric furnace. Results show that the combined PID controller is successful in maintaining a stable temperature inside the reactor by regulating the incoming solar radiation and the flowrate via small steady-state error and reasonable settling time and overshoot.

14 SOLAR ENERGY↗
NASA NTRS2015

Estimation of Surface Temperature and Heat Flux by Inverse Heat Transfer Methods Using Internal Temperatures Measured While Radiantly Heating a Carbon/Carbon Specimen up to 1920 F

The ability to solve the heat conduction equation is needed when designing materials to be used on vehicles exposed to extremely high temperatures; e.g. vehicles used for atmospheric entry or hypersonic flight. When using test and flight data, computational methods such as finite difference schemes may be used to solve for both the direct heat conduction problem, i.e., solving between internal temperature measurements, and the inverse heat conduction problem, i.e., using the direct solution to march forward in space to the surface of the material to estimate both surface temperature and heat flux. The completed research first discusses the methods used in developing a computational code to solve both the direct and inverse heat transfer problems using one dimensional, centered, implicit finite volume schemes and one dimensional, centered, explicit space marching techniques. The developed code assumed the boundary conditions to be specified time varying temperatures and also considered temperature dependent thermal properties. The completed research then discusses the results of analyzing temperature data measured while radiantly heating a carbon/carbon specimen up to 1920 F. The temperature was measured using thermocouple (TC) plugs (small carbon/carbon material specimens) with four embedded TC plugs inserted into the larger carbon/carbon specimen. The purpose of analyzing the test data was to estimate the surface heat flux and temperature values from the internal temperature measurements using direct and inverse heat transfer methods, thus aiding in the thermal and structural design and analysis of high temperature vehicles.

Pizzo, Michelle↗
NASA NTRS1982

Conservative supra-characteristics method for splitting the hyperbolic systems of gasdynamics for real and perfect gases

A conservative flux difference splitting is presented for the hyperbolic systems of gasdynamics. The stable robust method is suitable for wide application in a variety of schemes, explicit or implicit, iterative or direct, for marching in either time or space. The splitting is modeled on the local quasi one dimensional characteristics system for multi-dimensional flow similar to Chakravarthy's nonconservative split coefficient matrix method; but, as the result of maintaining global conservation, the method is able to capture sharp shocks correctly. The embedded characteristics formulation is cast in a primitive variable the volumetric internal energy (rather than the pressure) that is effective for treating real as well as perfect gases. Finally the relationship of the splitting to characteristics boundary conditions is discussed and the associated conservative matrix formulation for a computed blown wall boundary condition is developed as an example. The theoretical development employs and extends the notion of Roe of constructing stable upwind difference formulae by sending split simple one sided flux difference pieces to appropriate mesh sites. The developments are also believed to have the potential for aiding in the analysis of both existing and new conservative difference schemes.

Lombard, C. K.↗
NASA NTRS1997

Toward Understanding Wake Vortices and Atmospheric Turbulence Interactions Using Large-Eddy Simulation

The vortices produced by an aircraft in flight are a complex phenomena created from a 'sheet of vorticity' leaving the trailing edge of the aircraft surfaces. This sheet tends to roll-up into two counter-rotating vortices. After a few spans downstream of the aircraft, the roll-up process is complete and the vortex pair may be characterized in a simple manner for modeling purposes. Our research will focus on what happens to these post roll-up vortices in the vicinity of an airport terminal. As the aircraft wake vortices descend, they are transported by the air mass which they are embedded and are decayed by both internal and external processes. In the vicinity of the airport, these external influences are usually due to planetary boundary layer (PBL) turbulence. Using large-eddy simulation (LES), one may simulate a variety of PBL conditions. In the LES method, turbulence is generated in the PBL as a response to surface heat flux, horizontal pressure gradient, wind shear, and/or stratification, and may produce convective or unstably stratified, neutral, or stably stratified PBL's. Each of these PBL types can occur during a typical diurnal cycle of the PBL. Thus it is important to be able to characterize these conditions with the LES method. Once this turbulent environment has been generated, a vortex pair will be introduced and the interactions are observed. The objective is to be able to quantify the PBL turbulence vortex interaction and be able to draw some conclusions of vortex behavior from the various scale interactions. This research is ongoing, and we will focus on what has been accomplished to date and the future direction of this research. We will discuss the model being used, show results that validate its use in the PBL, and present a nested-grid method proposed to analyze the entire PBL and vortex pair simultaneously.

DeCroix, David↗
DOE OSTI2025

Liquid Phase Modeling in Porous Media: Adsorption of Methanol and Ethanol in H-MFI in Condensed Water

Zeolites are used in the chemical and separation industries for their exceptional selectivity, adsorption capacity, regenerability, and stability in gas and liquid phase processing. Here, we developed an explicit solvation method for predicting solvent/condensed phase effects on adsorption free energies in microporous media such as zeolites based on the hybrid quantum mechanical/molecular mechanical free energy perturbation (QM/MM-FEP) technique. Our explicit solvation method for zeolite systems, called eSZS, aims to capture site-specific interactions during the adsorption process at the Brønsted acid sites of H-MFI zeolite while still considering the diverse configuration space of the solvent molecules. This strategy is ideal for chemical reactions or adsorbates that interact with the microporous medium in few distinct adsorbate/transition state configurations, i.e., the harmonic or similar approximations are acceptable for the adsorbate/transition state while such approximations break down for the solvent molecules that require extensive configuration space sampling. In this way, our approach effectively overcomes the limitations of implicit solvation models and classical force field methods for describing solvation effects on chemical reactions within porous materials such as zeolites. Specifically, in this study, we investigated various aspects of our hybrid QM/MM approach, including QM cluster size dependencies in a periodic electrostatically embedded cluster model (PEECM), rules for link atoms at the QM/MM boundary, and functional and basis set considerations for converged and reasonably accurate gas and aqueous phase methanol and ethanol adsorption free energy predictions in H-MFI. For gas phase adsorption of methanol and ethanol in H-MFI at a Brønsted acid site in T12 position, we compute adsorption free energies at 298 K of −0.61 and −0.75 eV, respectively, using a PEECM containing 50 Si and 1 Al atom with ωB97x-D/def2-TZVP level of theory. For solvent effect calculations, we sample the aqueous phase using grand canonical Monte Carlo (GCMC) simulations to (1) obtain a mean field of electrostatic interactions in the reaction system and (2) perform a rigorous free energy perturbation calculation. Similar to the experimentally and computationally observed endergonic solvation effects observed for hydrocarbon adsorption on metal surfaces, we also observe that a condensed aqueous environment destabilizes methanol and ethanol at these acid sites in H-MFI at 298 K. Specifically, the computed solvation free energies of adsorption (ΔΔG solv ) for methanol and ethanol are +0.44 and +0.54 eV, respectively. From this study, it is evident that adsorbates (methanol and ethanol) are competing with water for adsorption space inside the H-MFI zeolite, leading to an endergonic solvation effect. Here, we expect that the endergonic, aqueous solvent effect during adsorption in microporous zeolites is highly tunable by changing the pore size and hydrophobicity of the microporous material as this will affect the water density inside the pore structure.

Adsorption↗
NASA NTRS1979

Off-axis impact of unidirectional composites with cracks: Dynamic stress intensification

The dynamic response of unidirectional composites under off axis (angle loading) impact is analyzed by assuming that the composite contains an initial flaw in the matrix material. The analytical method utilizes Fourier transform for the space variable and Laplace transform for the time variable. The off axis impact is separated into two parts, one being symmetric and the other skew-symmetric with reference to the crack plane. Transient boundary conditions of normal and shear tractions are applied to a crack embedded in the matrix of the unidirectional composite. The two boundary conditions are solved independently and the results superimposed. Mathematically, these conditions reduce the problem to a system of dual integral equations which are solved in the Laplace transform plane for the transformation of the dynamic stress intensity factor. The time inversion is carried out numerically for various combinations of the material properties of the composite and the results are displayed graphically.

Sih, G. C.↗
NASA NTRS1989

Local grid refinement for transonic flow problems

The present use of locally refined Cartesian grids to solve transonic flow problems about three-dimensional aircraft configurations obviates surface-conforming grid generation through an embedding of surface-geometry paneling in the grid. Accurate resolution of flow close to the boundary, and in regions with strong velocity gradients, is achieved via hierarchical local refinement which subdivides a given grid cell into eight cells. Fast and reliable convergence is obtained by combining several preconditioners and damping strategies. Methods are suggested for preclusion of global convergence problems.

Melvin, Robin G.↗
NASA NTRS1987

An embedded function approach for turbulent flow prediction

In conventional prediction methods for turbulent flow influence on surface properties, very small mesh sizes and considerable computational effort is required to adequately resolve the intense velocity and temperature profile variations that occur in the wall-layer region. In this study, an approach is described wherein an outer region numerical solution is smoothly matched to a set of embedded analytic profile functions in the near-wall region; these wall-layer profile functions having been derived through consideration of the coherent structure of the time-dependent near-wall flow provide analytic expressions for the mean velocity and enthalpy profiles in the wall layer. The concept is demonstrated through example applications to turbulent boundary-layer flows in two dimensions. The technique is shown to be very efficient and it is demonstrated that a reduction of approximately half the mesh points across the 2-D layer may be realized (as compared to conventional methods) with no degradation in accuracy.

Walker, J. D. A.↗
NASA NTRS1993

Dynamic characteristics of specialty composite structures with embedded damping layers

Damping mechanics for simulating the damped dynamic characteristics in specialty composite structures with compliant interlaminar damping layers are presented. Finite-element based mechanics incorporating a discrete layer (or layer-wise) laminate damping theory are utilized to represent general laminate configurations in terms of lay-up and fiber orientation angles, cross-sectional thickness, shape, and boundary conditions. Evaluations of the method with exact solutions and experimental data illustrate the accuracy of the method. Additional applications investigate the potential for significant damping enhancement in angle-ply composite laminates with cocured interlaminar damping layers.

Saravanos, D. A.↗
NASA NTRSDate not supplied

Uncertainty Estimates for Sonic-Boom Pressure Signatures and Loudness Carpets

A non-intrusive uncertainty quantification method is applied to computational analysis of supersonic, low-boom aircraft. The mean and standard deviation statistics of the pressure waveforms and loudness metrics are evaluated through use of numerical quadrature. The probability density function (p.d.f.) of these outputs is evaluated via kernel density estimation. The simulations use an inviscid, embedded-boundary Cartesian-mesh flow solver in the nearfield combined with an augmented Burgers’ equation solver for propagation in the farfield. The results show that the p.d.f. of the waveform is bimodal at shocks, which makes the mean and standard deviation statistics inappropriate. Despite this limitation, we show that the moment statistics can provide effective assessment of discrepancies when comparing with experimental data. This is demonstrated by presenting uncertainty analysis of a wind-tunnel test and showing that we significantly improve the predictions when we include the test uncertainties in the simulation. Normal distributions are obtained for the ground signature and loudness metrics, which is primarily due to the careful shaping of the low-boom waveform. Separation of variables and error control are used to reduce computational cost. We demonstrate that this is an efficient approach in the sense of balancing numerical errors in the statistics quadrature with discretization errors in the solvers.

ARMD↗
NASA NTRS1980

Normal and shear impact of layered composite with a crack - Dynamic stress intensification

The dynamic response of a layered composite under normal and shear impact is analyzed by assuming that the composite contains an initial flaw in the matrix material. One of the objectives was to develop an analytical method for determining dynamic stress solutions which should lead to a numerical method which utilizes Fourier transform for the space variable and Laplace transform for the time variable. The time-dependent angle loading is separated into two parts: a symmetric and a skew-symmetric with reference to the crack plane. By superposition, the transient boundary conditions consist of applying normal and shear tractions to a crack embedded in a layered composite; one phase of the composite could represent the fiber while the other could be the matrix. Mathematically, these conditions reduce the problem to a system of dual integral equations solved in the transform plane for the transform of the dynamic stress-intensity factor.

Sih, G. C.↗