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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Analysis of direct numerical simulation data of a Mach 4.5 transitional boundary-layer flow

This paper describes the creation, by temporal direct numerical simulation and the analysis based on the Reynolds stress transport equations, of a high-quality data set that represents the laminar-turbulent transition of a high-speed boundary-layer flow. Following Pruett and Zang (1992), and with the help of algorithmic refinements, the evolution of an axial, Mach 4.5 boundary-layer flow along a hollow cylinder is simulated numerically. Favre-averaged Reynolds stress transport equations are derived in generalized curvilinear coordinates and are then specialized to the cylindrical geometry at hand. Reynolds stresses and various turbulence quantities, such as turbulent kinetic energy and turbulent Mach number, are calculated from the numerical data at various stages of the transition process. The kinetic energy 'budgets' are constructed from the transport equations. Various contributing terms for the evolution of kinetic energy, like the rates of production and dissipation, transport, and diffusion, are presented. The compressible dissipation rate is small in comparison with the solenoidal dissipation rate for all times. The pressure-dilatation term is of the same order of magnitude as the compressible dissipation rate.

Dinavahi, Surya P. G.↗
NASA NTRS1976

Nitric Oxide Formation by Meteoroids in the Upper Atmosphere

The process of nitric oxide formation during atmospheric entry of meteoroids is analyzed theoretically. An ablating meteoroid is assumed to be a point source in a uniform flow with a continuum regime evolving in its wake. The amount of nitric oxide produced by high-temperature reactions of air in the continuum regime is calculated by numerical integration of chemical-rate equations. This is accomplished by assuming that flow properties are constant across the reacting region, the radius of the region being determined from considerations of shock-wave formation and molecular diffusion. The results, when summed over the observed mass, velocity, and entry-angle distributions of meteoroids, provide annual global production rates of nitric oxide as a function of altitude. The peak production of nitric oxide is found to occur at altitudes between 9 x 10(exp 4) and 10(exp 5) m, the total annual rate being about 4 x 10(exp 7) kg. The present results suggest that the large concentration of nitric oxide observed below 9.5 x 10(exp 4) m could be attributed to meteoroids instead of photodissociation of nitrogen into metastable, 2D-state atoms, as has been previously hypothesized.

Menees, Gene P.↗
NASA NTRS2008

Models of Coronal Loops and Those Annoying Observations

It is often said that coronal loops are the fundamental building blocks of the magnetically-closed corona. This is certainly true, especially when one realizes that the diffuse component of the corona can be thought of as a collection of indistinguishable loops. During the Skylab era, it was believed that loops are in states of quasi static equilibrium. However, more recent observations combined with numerical models have revealed that this interpretation is not correct, at least for many loops. The concept of loops as bundles of impulsively-heated strands is very appealing and solves many of the problems faced by static models, but it too faces observational challenges. Yet another idea involves the fascinating phenomenon of thermal nonequilibrium. I will review the various attempts to model coronal loops and discuss how they agree and disagree with observations, paying particular attention to the latest results from Hinode.

Klimchuk, James A.↗
NASA NTRS1999

Computation of Steady and Unsteady Laminar Flames: Theory

In this paper we describe the numerical analysis underlying our efforts to develop an accurate and reliable code for simulating flame propagation using complex physical and chemical models. We discuss our spatial and temporal discretization schemes, which in our current implementations range in order from two to six. In space we use staggered meshes to define discrete divergence and gradient operators, allowing us to approximate complex diffusion operators while maintaining ellipticity. Our temporal discretization is based on the use of preconditioning to produce a highly efficient linearly implicit method with good stability properties. High order for time accurate simulations is obtained through the use of extrapolation or deferred correction procedures. We also discuss our techniques for computing stationary flames. The primary issue here is the automatic generation of initial approximations for the application of Newton's method. We use a novel time-stepping procedure, which allows the dynamic updating of the flame speed and forces the flame front towards a specified location. Numerical experiments are presented, primarily for the stationary flame problem. These illustrate the reliability of our techniques, and the dependence of the results on various code parameters.

Hagstrom, Thomas↗
NASA NTRS1992

Numerical solution of a three-dimensional cubic cavity flow by using the Boltzmann equation

A three-dimensional cubic cavity flow has been analyzed for diatomic gases by using the Boltzmann equation with the Bhatnagar-Gross-Krook (B-G-K) model. The method of discrete ordinate was applied, and the diffuse reflection boundary condition was assumed. The results, which show a consistent trend toward the Navier-Stokes solution as the Knudson number is reduced, give us confidence to apply the method to a three-dimensional geometry for practical predictions of rarefied-flow characteristics. The CPU time and the main memory required for a three-dimensional geometry using this method seem reasonable.

Hwang, Danny P.↗
NASA NTRS1993

Non-oscillatory and non-diffusive solution of convection problems by the iteratively reweighted least-squares finite element method

A comparative description is presented for the least-squares FEM (LSFEM) for 2D steady-state pure convection problems. In addition to exhibiting better control of the streamline derivative than the streamline upwinding Petrov-Galerkin method, numerical convergence rates are obtained which show the LSFEM to be virtually optimal. The LSFEM is used as a framework for an iteratively reweighted LSFEM yielding nonoscillatory and nondiffusive solutions for problems with contact discontinuities; this method is shown to convect contact discontinuities without error when using triangular and bilinear elements.

Jiang, Bo-Nan↗
NASA NTRS1992

Analytic and numerical models of wave-CISK with conditional heating

Wave-CISK with conditional heating is investigated in the equatorial zonal-height plane by analytic and numerical techniques. For two- and three-level models, previous results are extended to give additional evidence that the most unstable mode has a single wet region of infinitesimal width. A three-level model has qualitatively similar behavior as the two-level model except that propagating solutions are possible due to coalescence of internal vertical modes. Phase speeds with conditional heating are found to be slightly greater than those for unconditional heating. The structure has one circulation cell in the vertical and is asymmetric in longitude with stronger motion on the leading edge. Growth rate is inversely proportional to the width of the single wet region. That width can be limited by second-order diffusion. A general integral relationship between growth rate, viscosity, phase speed, and heating is derived. The main conclusion is that the linear wave-CISK catastrophe is modified by conditional heating but not eliminated. The preferred mode of instability has one wet region, but it occurs on the smallest possible scale. It is likely that numerical models that use conditional heating are sensitive to resolution, especially for the commonly used spectral truncations, unless there is sufficiently strong damping at the smallest scales.

Crum, Francis X.↗
DOE OSTI2021

Physics-Informed Machine Learning Models for Predicting the Progress of Reactive-Mixing

This paper presents a physics-informed machine learning (ML) framework to construct reduced-order models (ROMs) for reactive-transport quantities of interest (QoIs) based on high-fidelity numerical simu-lations. QoIs include species decay, product yield, and degree of mixing. The ROMs for QoIs are applied to quantify and understand how the chemical species evolve over time. First, high-resolution datasets for constructing ROMs are generated by solving anisotropic reaction-di?usion equations using a non-negative finite element formulation for di?erent input parameters. The reactive-mixing model input parameters are: time-scale associated with flipping of velocity, spatial-scale controlling small/large vortex structures of velocity, perturbation parameter of the vortex-based velocity, anisotropic dispersion strength/contrast, and molecular diffusion. Second, random forests, F-test, and mutual information criterion are used to evaluate the importance of model inputs/features with respect to QoIs. We observed that anisotropic dispersion strength/contrast is the most important feature and time-scale associated with flipping of velocity is the least important feature. Third, Support Vector Machines (SVM) and Support Vector Regression (SVR) are used to construct ROMs based on the model inputs. The constructed SVR-ROMs are then used to predict scaling of QoIs. We also present estimates and inequalities on the QoIs, which inform that the species decay, mix, and produce in an exponential fashion. These inequalities also inform that a radial basis function is the most suitable kernel for the SVM/SVR models for QoIs. It is observed that R2-score for SVR-ROMs on unseen data is greater than 0.9, implying that the SVR-ROMs are able to predict the reaction-diffusion system state reasonably well. Finally, in terms of the computational cost, the proposed SVM-ROMs are O(107) times faster than running a high-fidelity finite element simulation for evaluating QoIs. This makes the proposed ML-based ROMs attractive for reactive-transport sensing and real-time monitoring applications as they are significantly faster yet reasonably accurate.

Mudunuru, Maruti K.↗
DOE OSTI2022

The effects of turbulence on the flame structure and NO formation of ammonia turbulent premixed combustion at various equivalence ratios

Ammonia is carbon-free and is regarded as a potential fuel to address global warming issues. Here, in this work, three-dimensional direct numerical simulations (DNS) of ammonia/air turbulent premixed flames were performed to explore the influence of turbulence and equivalence ratio on the flame structure and NO formation characteristics. Two equivalence ratios were considered, i.e. Φ=0.9 and Φ=1.1. The general flame structures were presented and species distributions were examined. The NO mass fraction was found to be the highest in the product for the lean case and in the reaction zone for the rich case. The conditional mean values of species mass fractions and reaction rates were compared with those of the unstrained and strained laminar premixed flames to explore how well the laminar flame structures can approach those of the turbulent flame. The budget analysis of the species transport equations showed that turbulent diffusion plays an important role in species transport. The turbulent diffusivity D T was estimated using the gradient hypothesis based on the DNS data. Various laminar flame simulations with different diffusivities were carried out. It was shown that the conditional means of the DNS agree well with those of the laminar flames including D T in the transport property calculation. The global and local NO formation characteristics were investigated. It was found that the mean NO production conditioned on the progress variable is lower compared with the corresponding laminar flame in the rich case. However, the relative contributions from various NO pathways are rarely affected by turbulence. The NO mass fraction is higher in negative curvature regions compared with positive curvature regions of the flame surface for the rich case, which is due to the preferential diffusion of H 2 and other radicals and the enhanced NO pathways in negatively curved regions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A high-order finite difference method for moving immersed domain boundaries and material interfaces

Here, we present a high-order sharp treatment of immersed moving domain boundaries and material interfaces, and apply it to the advection-diffusion equation in two and three dimensions. The spatial discretization combines dimension-split finite difference schemes with an immersed boundary treatment based on a weighted least-squares reconstruction of the solution, providing stable discretizations with up to sixth order accuracy for diffusion terms and third order accuracy for advection terms. The temporal discretization relies on a novel strategy for maintaining high-order temporal accuracy in problems with moving boundaries that minimizes implementation complexity and allows arbitrary explicit or diagonally-implicit Runge-Kutta schemes. The approach is broadly compatible with popular PDE-specialized Runge-Kutta time integrators, including low-storage, strong stability preserving, and diagonally implicit schemes. Through numerical experiments we demonstrate that the full discretization maintains high-order spatial and temporal accuracy in the presence of complex 3D geometries and for a range of boundary conditions, including Dirichlet, Neumann, and flux conditions with large jumps in coefficients.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

Effects of buoyancy on gas jet diffusion flames

The objective of this effort was to gain a better understanding of the fundamental phenomena involved in laminar gas jet diffusion flames in the absence of buoyancy by studying the transient phenomena of ignition and flame development, (quasi-) steady-state flame characteristics, soot effects, radiation, and, if any, extinction phenomena. This involved measurements of flame size and development, as well as temperature and radiation. Additionally, flame behavior, color, and luminosity were observed and recorded. The tests quantified the effects of Reynolds number, nozzle size, fuel reactivity and type, oxygen concentration, and pressure on flame characteristics. Analytical and numerical modeling efforts were also performed. Methane and propane flames were studied in the 2.2 Second Drop Tower and the 5.18-Second Zero-Gravity Facility of NASA LeRC. In addition, a preliminary series of tests were conducted in the KC-135 research aircraft. Both micro-gravity and normal-gravity flames were studied in this program. The results have provided unique and new information on the behavior and characteristics of gas jet diffusion flames in micro-gravity environments.

Bahadori, M. Yousef↗
DOE OSTI2018

Evolution of planar fractures in limestone: The role of flow rate, mineral heterogeneity and local transport processes

In this study, the processes that affect the evolution of fracture geometry and reactive transport in limestone fractures were evaluated using an integrated experimental and modeling approach. Flow-through experiments were performed to investigate the alteration of three artificially made planar limestone fractures, which were exposed to HCl-acidified water flow (pH 3.8 ± 0.1) at three different rates. Reactive infiltration instability developed in the fractures because of small fracture aperture variations and naturally occurring heterogeneity in the rock, i.e., the presence of clay spots of higher porosity. The dissolution regime changed from conical to dominant and ramified wormhole with increasing flow rate, i.e., Péclet number. Maps of fracture aperture obtained from X-ray micro-tomography imaging, together with measurements of permeability and analyses of fluid chemistry, provided experimental constraints for modeling. Numerical simulations were performed using a 2.5D continuum reactive transport model to examine the development of flow patterns and the reactivity and permeability evolution over time, and to interrogate the impacts of fluid reactivity, mineral heterogeneity and diffusive boundary layer. The modeling results showed that fracture alteration is very sensitive to initial fluid reactivity and mineralogical heterogeneity, in addition to flow rate. Finally, the changes of local transport processes during fracture opening also affected the reactivity of the fractured samples.

58 GEOSCIENCES↗
DOE OSTI2025

Emergent hydrodynamic mode on SU(2) plaquette chains and quantum simulation

We search for emergent hydrodynamic modes in real-time Hamiltonian dynamics of 2+1-dimensional SU(2) lattice gauge theory on a quasi-one-dimensional plaquette chain, by numerically computing symmetric correlation functions of energy densities on lattice sizes of about 20 with the local Hilbert space truncated at 𝑗 max = $\frac{1}{2}$. Because of the Umklapp processes, we only find a mode for energy diffusion. The symmetric correlator exhibits transport peak near zero frequency with a width approximately proportional to momentum squared at small momentum, when the system is fully quantum ergodic, as indicated by the eigenenergy level statistics. This transport peak leads to a power-law 𝑡 −$\frac{1}{2}$ decay of the symmetric correlator at late time, also known as the long-time tail, as well as diffusionlike spreading in position space. We also introduce a quantum algorithm for computing the symmetric correlator on a quantum computer and find it gives results consistent with exact diagonalization when tested on the IBM emulator. Finally we discuss the future prospect of searching for the sound modes.

Hamiltonian systems↗
DOE OSTI2020

Fast and Universal Kohn-Sham Density Functional Theory Algorithm for Warm Dense Matter to Hot Dense Plasma

Understanding many processes, e.g., fusion experiments, planetary interiors, and dwarf stars, depends strongly on microscopic physics modeling of warm dense matter and hot dense plasma. This complex state of matter consists of a transient mixture of degenerate and nearly free electrons, molecules, and ions. This regime challenges both experiment and analytical modeling, necessitating predictive ab initio atomistic computation, typically based on quantum mechanical Kohn-Sham density functional theory (KS-DFT). However, cubic computational scaling with temperature and system size prohibits the use of DFT through much of the warm dense matter regime. A recently developed stochastic approach to KS-DFT can be used at high temperatures, with the exact same accuracy as the deterministic approach, but the stochastic error can converge slowly and it remains expensive for intermediate temperatures (< 50 eV). Here we have developed a universal mixed stochastic-deterministic algorithm for DFT at any temperature. This approach leverages the physics of KS-DFT to seamlessly integrate the best aspects of these different approaches. We demonstrate that this method significantly accelerated self-consistent field calculations for temperatures from 3 to 50 eV, while producing stable molecular dynamics and accurate diffusion coefficients.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

2017 Status report-Tritium aging studies on stainless steel: Effect of hydrogen, tritium and decay helium on the fracture-toughness properties of stem, cup and block forgings

The materials of construction of tritium reservoirs are forged stainless steels. During service, the structural properties of the stainless steel change over time because of the diffusion of tritium into the reservoir wall and its radioactive decay to helium-3. This aging effect can cause cracks to initiate and grow which could result in a tritium leak or delayed failure of a tritium reservoir. Numerous factors affect the tendency for crack formation and propagation and are being investigated in this program. The goal of the research is to provide relevant fracture mechanics data that can be used by the design agencies in their assessments of tritium reservoir structural integrity. In this status report, new experimental results are presented on the effects of tritium and decay helium on the cracking properties of specimens taken from actual tritium reservoir forgings instead of the experimental forgings of past programs. The properties measured are more representative of actual reservoir properties because the microstructure of the specimens tested are more like that of the actual tritium reservoirs. The program was designed to measure the effects of material variables on tritium compatibility and includes two stainless steels (Type 304L and 316L stainless steel), multiple yield strengths (360-500 MPa), and multiple forging shapes (Stem, Cup, and Block).

36 MATERIALS SCIENCE↗
DOE OSTI2017

HYDRODYNAMICAL INTERACTION OF MILDLY RELATIVISTIC EJECTA WITH AN AMBIENT MEDIUM

The hydrodynamical interaction of spherical ejecta freely expanding at mildly relativistic speeds into an ambient cold medium is studied in semianalytical and numerical ways to investigate how ejecta produced in energetic stellar explosions dissipate their kinetic energy through the interaction with the surrounding medium. We especially focus on the case in which the circumstellar medium (CSM) is well represented by a steady wind at a constant mass-loss rate, having been ejected from the stellar surface prior to the explosion. As a result of the hydrodynamical interaction, the ejecta and CSM are swept by the reverse and forward shocks, leading to the formation of a geometrically thin shell. We present a semianalytical model describing the dynamical evolution of the shell and compare the results with numerical simulations. The shell can give rise to bright emission as it gradually becomes transparent to photons. We develop an emission model for the expected emission from the optically thick shell, in which photons in the shell gradually diffuse out to the interstellar space. Then we investigate the possibility that radiation powered by the hydrodynamical interaction is the origin of an underluminous class of gamma-ray bursts.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1979

A coupled radiative-convective-photochemical model of the stratosphere

A one-dimensional atmospheric model is described. The neutral photochemical processes of the troposphere and stratosphere are presented by a reaction set of 87 kinetic processes and 28 photolytic reactions, with vertical transport being taken into account by an eddy diffusion parameter. The vertical temperature profiles are coupled with the chemical calculations by means of a radiative-convective code. The model has the capability of including effects of multiple scattering and diurnal variations in species concentrations. The numerical solution methodology is described in detail, and current input data are given along with results obtained in a sample calculation.

Boughner, R. E.↗