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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 739 records · Page 41

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NASA NTRS1994

Radiative interactions in multi-dimensional chemically reacting flows using Monte Carlo simulations

The Monte Carlo method (MCM) is applied to analyze radiative heat transfer in nongray gases. The nongray model employed is based on the statistical narrow band model with an exponential-tailed inverse intensity distribution. The amount and transfer of the emitted radiative energy in a finite volume element within a medium are considered in an exact manner. The spectral correlation between transmittances of two different segments of the same path in a medium makes the statistical relationship different from the conventional relationship, which only provides the non-correlated results for nongray methods is discussed. Validation of the Monte Carlo formulations is conducted by comparing results of this method of other solutions. In order to further establish the validity of the MCM, a relatively simple problem of radiative interactions in laminar parallel plate flows is considered. One-dimensional correlated Monte Carlo formulations are applied to investigate radiative heat transfer. The nongray Monte Carlo solutions are also obtained for the same problem and they also essentially match the available analytical solutions. the exact correlated and non-correlated Monte Carlo formulations are very complicated for multi-dimensional systems. However, by introducing the assumption of an infinitesimal volume element, the approximate correlated and non-correlated formulations are obtained which are much simpler than the exact formulations. Consideration of different problems and comparison of different solutions reveal that the approximate and exact correlated solutions agree very well, and so do the approximate and exact non-correlated solutions. However, the two non-correlated solutions have no physical meaning because they significantly differ from the correlated solutions. An accurate prediction of radiative heat transfer in any nongray and multi-dimensional system is possible by using the approximate correlated formulations. Radiative interactions are investigated in chemically reacting compressible flows of premixed hydrogen and air in an expanding nozzle. The governing equations are based on the fully elliptic Navier-Stokes equations. Chemical reaction mechanisms were described by a finite rate chemistry model. The correlated Monte Carlo method developed earlier was employed to simulate multi-dimensional radiative heat transfer. Results obtained demonstrate that radiative effects on the flowfield are minimal but radiative effects on the wall heat transfer are significant. Extensive parametric studies are conducted to investigate the effects of equivalence ratio, wall temperature, inlet flow temperature, and nozzle size on the radiative and conductive wall fluxes.

Liu, Jiwen↗

DOE OSTI2022

Subcell limiting strategies for discontinuous Galerkin spectral element methods

Here, we present a general family of subcell limiting strategies to construct robust high-order accurate nodal discontinuous Galerkin (DG) schemes. The main strategy is to construct compatible low order finite volume (FV) type discretizations that allow for convex blending with the high-order variant with the goal of guaranteeing additional properties, such as bounds on physical quantities and/or guaranteed entropy dissipation. For an implementation of this main strategy, four main ingredients are identified that may be combined in a flexible manner: (i) a nodal high-order DG method on Legendre–Gauss–Lobatto nodes, (ii) a compatible robust subcell FV scheme, (iii) a convex combination strategy for the two schemes, which can be element-wise or subcell-wise, and (iv) a strategy to compute the convex blending factors, which can be either based on heuristic troubled-cell indicators, or using ideas from flux-corrected transport methods. By carefully designing the metric terms of the subcell FV method, the resulting methods can be used on unstructured curvilinear meshes, are locally conservative, can handle strong shocks efficiently while directly guaranteeing physical bounds on quantities such as density, pressure or entropy. We further show that it is possible to choose the four ingredients to recover existing methods such as a provably entropy dissipative subcell shock-capturing approach or a sparse invariant domain preserving approach. We test the versatility of the presented strategies and mix and match the four ingredients to solve challenging simulation setups, such as the KPP problem (a hyperbolic conservation law with non-convex flux function), turbulent and hypersonic Euler simulations, and MHD problems featuring shocks and turbulence.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1992

Navier-Stokes simulations of unsteady transonic flow phenomena

Numerical simulations of two classes of unsteady flows are obtained via the Navier-Stokes equations: a blast-wave/target interaction problem class and a transonic cavity flow problem class. The method developed for the viscous blast-wave/target interaction problem assumes a laminar, perfect gas implemented in a structured finite-volume framework. The approximately factored implicit scheme uses Newton subiterations to obtain the spatially and temporally second-order accurate time history of the blast-waves with stationary targets. The inviscid flux is evaluated using either of two upwind techniques, while the full viscous terms are computed by central differencing. Comparisons of unsteady numerical, analytical, and experimental results are made in two- and three-dimensions for Couette flows, a starting shock-tunnel, and a shock-tube blockage study. The results show accurate wave speed resolution and nonoscillatory discontinuity capturing of the predominantly inviscid flows. Viscous effects were increasingly significant at large post-interaction times. While the blast-wave/target interaction problem benefits from high-resolution methods applied to the Euler terms, the transonic cavity flow problem requires the use of an efficient scheme implemented in a geometrically flexible overset mesh environment. Hence, the Reynolds averaged Navier-Stokes equations implemented in a diagonal form are applied to the cavity flow class of problems. Comparisons between numerical and experimental results are made in two-dimensions for free shear layers and both rectangular and quieted cavities, and in three-dimensions for Stratospheric Observatory For Infrared Astronomy (SOFIA) geometries. The acoustic behavior of the rectangular and three-dimensional cavity flows compare well with experiment in terms of frequency, magnitude, and quieting trends. However, there is a more rapid decrease in computed acoustic energy with frequency than observed experimentally owing to numerical dissipation. In addition, optical phase distortion due to the time-varying density field is modelled using geometrical constructs. The computed optical distortion trends compare with the experimentally inferred result, but underpredicts the fluctuating phase difference magnitude.

Atwood, C. A.↗

DOE OSTI2024

Dynamic data-driven multiscale modeling for predicting the degradation of a 316L stainless steel nuclear cladding material

Here, we have developed a long short-term memory stacked ensemble (LSTM-SE) surrogate modeling approach that can provide rapid predictions of microstructural evolution and the resultant mechanical properties of American Iron and Steel Institute (AISI) 316L series stainless steel (316LSS) fuel cladding under conditions of varying temperature and radiation dose rate. To acquire training data, we developed and implemented a kinetic Monte Carlo (KMC) model to simulate precipitation kinetics of M 23 C 6 , γ', and G phases within SS316L cladding. Experimentally reported precipitation kinetics of SS316L in literature were linked to the kinetic parameters of the simulated precipitation in our KMC model. The model was then used to simulate microstructure evolution under synthetically generated treatments of varying temperature and radiation dose rate, for periods of up to 3000 hours. Changes in volume fraction, number density, and particle size of precipitates were recorded, and particle area fractions were correlated using statistical methods to develop the surrogate model. Simultaneously, the mechanical properties of the simulated microstructures were evaluated using microstructure-based finite element method (FEM) analysis to determine the elastic modulus, yield stress, ultimate tensile strength, and elongation to failure of the aged microstructures. Using this approach, our surrogate model can predict precipitation behavior within 0.25% volume fraction and mechanical properties within 6% relative error from the values predicted by the KMC and FEM models using 50 training simulations as input. The trained recurrent neural network-based model can return estimations of precipitation kinetics and mechanical properties ~1000 times faster than the physics-based codes. This work demonstrates, as a proof of concept, that reactor material service lifetimes under variable service conditions can be predicted for a statistics-based model from a practicably obtainable dataset.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Dynamic Data-Driven Multiscale Modeling for Predicting Microstructure and Mechanical Properties of 316L Stainless Steel

We have developed a long short-term memory stacked ensemble (LSTM-SE) surrogate modeling approach that can provide rapid predictions of microstructural evolution and the resultant mechanical properties of American Iron and Steel Institute (AISI) 316L series stainless steel (316LSS) fuel cladding under conditions of varying temperature and radiation dose rate. To acquire training data, we developed and implemented a kinetic Monte Carlo (KMC) model to simulate precipitation kinetics of M 23 C 6 , γ', and G phases within SS316L cladding. Experimentally reported precipitation kinetics of SS316L in literature were linked to the kinetic parameters of the simulated precipitation in our KMC model. The model was then used to simulate microstructure evolution under synthetically generated treatments of varying temperature and radiation dose rate, for periods of up to 3000 hours. Changes in volume fraction, number density, and particle size of precipitates were recorded, and particle area fractions were correlated using statistical methods to develop the surrogate model. Simultaneously, the mechanical properties of the simulated microstructures were evaluated using microstructure-based finite element method (FEM) analysis to determine the elastic modulus, yield stress, ultimate tensile strength, and elongation to failure of the aged microstructures. Using this approach, our surrogate model can predict precipitation behavior within 0.25% volume fraction and mechanical properties within 6% relative error from the values predicted by the KMC and FEM models using 50 training simulations as input. The trained recurrent neural network-based model can return estimations of precipitation kinetics and mechanical properties ~1000 times faster than the physics-based codes. This work demonstrates, as a proof of concept, that reactor material service lifetimes under variable service conditions can be predicted for a statistics-based model from a practicably obtainable dataset.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Stochastic reconstruction and microstructure modeling of SMC chopped fiber composites

Here, to establish an integrated Processing-Microstructure-Property workflow for the prediction of material behaviors, this paper presents a new stochastic pseudo-3D microstructure reconstruction method for Sheet Molding Compounds (SMC) chopped fiber composites. The proposed method captures the bi-level microstructural features of SMC composites. At the higher level, a Voronoi diagram-based algorithm is developed to reconstruct the unique substructure features of SMC fiber tows. The geometry of Voronoi cells is adjusted by a Simulated Annealing (SA) algorithm to match the geometrical statistics of the real fiber tows. At the lower level, the algorithm assigns fiber orientation to each Voronoi cell (which represents a fiber tow). The fiber orientation angles are recovered from a statistical fiber orientation tensor. The proposed method is employed to establish a multi-layer pseudo-3D SMC Representative Volume Element (RVE) model for Finite Element Analysis (FEA) of SMC microstructure. This model enables the prediction of mechanical properties based on the material processing information (e.g. fiber orientation tensor obtained from compression molding simulation), and the microstructure information obtained from microscopic imaging for an SMC composite. Lastly, the predicted properties are successfully validated by experimental tensile tests.

36 MATERIALS SCIENCE↗

DOE OSTI2018

FEM modeling of plastic flow and strain-induced phase transformation in BN under high pressure and large shear in a rotational diamond anvil cell

In this study, combined three-dimensional plastic flow and strain-induced phase transformation (PT) in boron nitride (BN) under high pressure and large shear in a rotational diamond anvil cell (rotational DAC or RDAC) are investigated. Geometrically nonlinear frameworks including finite elastic, transformational, and plastic deformations and finite element method (FEM) are utilized. Quantitative information is obtained on the evolutions of the stress tensor, plastic strain, volume fraction of phases in the entire sample, and slip-cohesion transitions, all during torsion under a fixed compressive load in RDAC. The effects of the applied compressive stress and the sample radius on PT and plastic flow are discussed. In comparison with DAC, the same amount of the high-pressure phase can be obtained at a much lower pressure in RDAC, which reduces the required force and the risk of diamond fracture. Also, RDAC has a potential to complete PT during torsion under pressure close to the minimum possible. A quasi-homogeneous pressure can be obtained in a transforming sample in RDAC under a proper choice of properties and parameters of a gasket. A number of experimental phenomena, including the pressure self-multiplication and quasi-homogeneous pressures in DAC and RDAC, are reproduced and interpreted. Finally, the simulation results provide a significant insight into coupled PTs and plastic flow in material in RDAC, and are important for the optimum design of experiments and the extraction of material parameters for PT, as well as for the optimization and control of PTs by the variation of various parameters.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Combustion Research I.1 Sprays, Flow, Heat Transfer and Turbulent Mixing

LANL is working with the Partnership for Advance Combustion Engines (PACE) a DOE sponsored consortium of national laboratories for the research and development for creating smarter engine design tools for sustainable transportation. Much of that effort is focused on heat, mass and momentum transfer within and engine. LANL’s focus in 2019, in particular under PACE has been spray modeling and engine mixture formulation, development of conjugate heat transfer analysis (heat transfer to the environment surrounding the combustion chamber). Our efforts relay on the Fast, Easy, Accurate and Robust Continuum Engineering (FEARCE) software developed at LANL as the next generation of engine modeling software for turbulent reactive and multiphase flow, a 2019 R&D 100 winner. This work is relevant to the DOE Vehicle Technologies Office efforts at addressing national energy security as well. Less dependence on petroleum products leads to greater energy security. By Environmental Protection Agency standards, some vehicles are now reaching 42–50 mpg mark. These are conventional gasoline engines. With continued investment and research into new technical innovations, the potential exists to save more than 4 million barrels of oil per day or approximately $200 to $400 million per day. This would be a significant decrease in emissions and use of petroleum and a very large stimulus to the U.S. economy. Better understanding of fuel injection and fuel–air mixing, thermodynamic combustion losses, and combustion/emission formation processes enhances our ability to minimize fuel use and unwanted emissions. Helping to accomplish this understanding, the FEARCE modeling program is working to provide state-of-theart capability for accurately simulating combustion processes: to have a predictive methodology in a software helping industry and researchers not only meet national goals on fuel usage and emissions, but global goals. In addition, a predictive, robust, and accurate capability for simulating the engine combustion process helps to minimize time and labor for development of new engine technology.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2022

An Immersed Finite Element Lagrangian-Eulerian Code-Coupling Framework

This report presents an assessment of immersed Eulerian-Lagrangian code-coupling techniques suitable for use in a broad range of mechanics applications. The coupling algorithm is based on an immersed finite element method that considers the Lagrangian and Eulerian overlap regions in the overall variational formulation. In this report the basic formulation details are presented followed by various aspects of the code-coupling algorithm using OpenIFEM as the Lagrangian/coupling framework. A series of representative test cases that illustrate the code-coupling algorithm are discussed. The current work provides an in-depth investigation into the immersed finite element method for the purposes of providing a rigorous coupling technique that is minimally invasive in the respective Eulerian and Lagrangian codes. A number of extensions to the base immersed finite element method have been examined. These extension include nodal and quadrature-based indicator functions, a Lagrangian volume-fraction calculation in regions of overlap, and the use of penalty constraints between the Lagrangian and Eulerian domains. A unique MPI-based coupling strategy that retains the independent MPI structure of each code has been demonstrated.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1989

Numerical computation of shock wave-turbulent boundary layer interaction in transonic flow over an axisymmetric curved hill

A control-volume based finite difference computation of a turbulent transonic flow over an axisymmetric curved hill is presented. The numerical method is based on the SIMPLE algorithm, and hence the conservation of mass equation is replaced by a pressure correction equation for compressible flows. The turbulence is described by a k-epsilon turbulence model supplemented by a near-wall turbulence model. In the method, the dissipation rate in the region very close to the wall is obtained from an algebraic equation and that for the rest of the flow domain is obtained by solving a partial differential equation for the dissipation rate. The other flow equations are integrated up to the wall. It is shown that the present turbulence model yields the correct location of the compression shock. The other computational results are also in good agreement with experimental data.

Kim, S.-W.↗

NASA NTRS1989

Two-dimensional Euler computations on a triangular mesh using an upwind, finite-volume scheme

A numerical procedure was developed for the finite-volume solution of the Euler equations on unstructured triangular meshes based on a flux-difference split upwind method. Techniques for implementing Roe's (1985) approximate Reimann solver together with the preprocessing MUSCL differencing on unstructured grids are presented. Applications and comparisons with structured grid problems are carried out for a supersonic shock reflection problem, the supersonic flow over a blunt body, the transonic flow over NACA 0012 and RAE 2822 airfoils, and the flow about a double element Karman-Trefftz airfoil.

Whitaker, D. L.↗

NASA NTRS1991

Characteristics of 3D turbulent jets in crossflow

Three dimensional turbulent jets in crossflow at low to medium jet-to-crossflow velocity ratios are computed with a finite volume numerical procedure which utilizes a second-moment closure model to approximate the Reynolds stresses. A multigrid method is used to accelerate the convergence rate of the procedure. Comparison of the computations to measured data show good qualitative agreement. All trends are correctly predicted, though there is some uncertainty on the height of penetration of the jet. The evolution of the vorticity field is used to explore the jet-crossflow interaction.

Demuren, A. O.↗

NASA NTRS1990

Characteristics of 3D turbulent jets in crossflow

Demuren, A. O.↗

NASA NTRS1991

Configuration optimization of space structures

The objective is to develop a computer aid for the conceptual/initial design of aerospace structures, allowing configurations and shape to be apriori design variables. The topics are presented in viewgraph form and include the following: Kikuchi's homogenization method; a classical shape design problem; homogenization method steps; a 3D mechanical component design example; forming a homogenized finite element; a 2D optimization problem; treatment of volume inequality constraint; algorithms for the volume inequality constraint; object function derivatives--taking advantage of design locality; stiffness variations; variations of potential; and schematics of the optimization problem.

Felippa, Carlos↗

NASA NTRS1993

Characteristics of three-dimensional turbulent jets in crossflow

Three-dimensional turbulent jets in crossflow at low to medium jet-to-crossflow velocity ratios are computed with a finite volume numerical procedure which utilizes a second-moment closure model to approximate the Reynolds stresses. A multigrid method is used to accelerate the convergence rate of the procedure. Comparison of the computations to measured data show good qualitative agreement. All trends are correctly predicted, though there is some uncertainty on the height of penetration of the jet. The evolution of the vorticity field is used to explore the jet-crossflow interaction.

Demuren, A. O.↗

NASA NTRS1991

Non equilibrium flow in an arc-jet

A method for simulating the flow of a nitrogen plasma in thermodynamic nonequilibrium is described. The method relies on the modeling of the relevant physical and chemical phenomena and on a fully coupled implicit finite volume upwind numerical approximation of the governing equations. The results agree with experimental data.

Rostand, P.↗

NASA NTRS1990

A geometric representation scheme suitable for shape optimization

A geometric representation scheme is outlined which utilizes the natural design variable concept. A base configuration with distinct topological features is created. This configuration is then deformed to define components with similar topology but different geometry. The values of the deforming loads are the geometric entities used in the shape representation. The representation can be used for all geometric design studies; it is demonstrated here for structural optimization. This technique can be used in parametric design studies, where the system response is defined as functions of geometric entities. It can also be used in shape optimization, where the geometric entities of an original design are modified to maximize performance and satisfy constraints. Two example problems are provided. A cantilever beam is elongated to meet new design specifications and then optimized to reduce volume and satisfy stress constraints. A similar optimization problem is presented for an automobile crankshaft section. The finite element method is used to perform the analyses.

Tortorelli, Daniel A.↗

NASA NTRS1994

Numerical solution of the two-dimensional time-dependent incompressible Euler equations

A numerical method is presented for solving the artificial compressibility form of the 2D time-dependent incompressible Euler equations. The approach is based on using an approximate Riemann solver for the cell face numerical flux of a finite volume discretization. Characteristic variable boundary conditions are developed and presented for all boundaries and in-flow out-flow situations. The system of algebraic equations is solved using the discretized Newton-relaxation (DNR) implicit method. Numerical results are presented for both steady and unsteady flow.

Whitfield, David L.↗