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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

On the interactions between large-scale structure and fine-grained turbulence in a free shear flow. II - The development of spatial interactions in the mean

The interactions between large-scale structure and fine-grained turbulence in a spatially developing mixing layer are investigated. Both a conditioned average and a time average are employed to separate the nonrandom and random fluctuations in the kinetic energy treatment of the interactions. Shape assumptions applying to the interaction integrals are adopted to obtain a solution to the closure problem. Energy-transfer mechanisms among the mean flow, the fine-grained turbulence and the large-scale structure are discussed. The magnitude of the large-scale structure and its streamwise lifetime both prove to be important in accounting for fine-grained turbulence enhancement.

Alper, A.↗
NASA NTRS1993

Zaoyang chondrite cooling history from pyroxene Fe(2+)-Mg intracrystalline ordering and exolutions

The Zaoyang ordinary chondrite fell as a single 14.15-kg mass in Hubey province (China) in October 1984 and was classified as a non-brecciated H5 chondrite, shock facies b. Cooling rate in pyroxenes can be calculated down to about 1000 C by using fine textures and at still lower temperatures (700 to 200 C) by intracrystalline ordering processes. The crystal chemistry of clinopyroxene and orthopyroxene from the matrix of the H5 Zaoyang chondrite has been investigated by X-ray structure refinement and detailed microprobe analysis. By comparison with terrestrial pyroxenes cell and polyhedral volumes in clino- and orthopyroxenes show a low crystallization pressure. Fe(2+) and Mg are rather disordered in M1 and M2 sites of clino- and orthopyroxenes; the closure temperatures of the exchange reaction are 600 and 512 C respectively, which is consistent with a quite fast cooling rate, estimated of the order of one degree per day. The closure temperature for the intercrystalline Ca-Mg exchange reaction for clino- and orthopyroxene showing clinopyroxene lamellae about 10 microns thick. Kinetic evaluations based on the thickness of exolved lamellae give a cooling rate of not more than a few degrees per 10(exp 4) years. The different cooling rates obtained from Fe(2+)-Mg intracrystalline partitioning and exolution lamellae suggest an initial episode of slow cooling at 900 C, followed by faster cooling at temperatures of 600-500 C at low pressure conditions. The most probable scenario of the meteorite history seems that the exolved orthopyroxene entered the parental chondrite body after exolution had taken place at high temperature. Subsequent fast cooling occurred at low temperature after the formation of the body.

Molin, G. M.↗
NASA NTRS1999

The Impact of Buoyancy and Flame Structure on Soot, Radiation and NOx Emissions from a Turbulent Diffusion Flame

It is hypothesized that the spatial structure of a turbulent diffusion flame plays an important role in determining the emissions of radiative energy, soot and NO, from a combustor. This structure, manifested in the two point statistics, is influenced by buoyancy. Radiation, soot and NOx emissions are the cumulative result of processes that occur throughout a flame. For example, radiation fluxes along a line of sight can be found from summing up the contributions from sources in individual pockets of hot soot that emit, and from sinks in cold soot that absorb. Soot and NOx are both the results of slow chemistry and are not equilibrium products. The time that is available for production and burnout is crucial in determining the eventual emissions of these pollutants. Turbulence models generally rely on a single point closure of the appropriate time averaged equations. Hence, spatial information is lost and needs to be modeled using solution variables such as turbulence kinetic energy and dissipation rate, often with the assumption of isotropy. However, buoyancy can affect the physical structure of turbulent flames and can change the spatial extent of soot bearing regions. Theoretical comparisons with models are best done in the limit of infinite Froude number because the inclusion of buoyancy in flow models introduces significant uncertainties. Hence, LII measurements of soot, measurements of radiation fluxes from soot, Particle Imaging Velocimetry (PIV) of the flow field and measurements of post flame NOX will be carried out on the NASA Lewis 2.2 sec drop tower and eventually on the parabolic flight aircraft. The drop rig will be a modified version of a unit that has been successfully used at Lewis in the past.

Kennedy, I. M.↗
NASA NTRS1984

Buoyant production and consumption of turbulence kinetic energy in cloud-topped mixed layers

It is pointed out that studies of the entraining planetary boundary layer (PBL) have generally emphasized the role of buoyancy fluxes in driving entrainment. The buoyancy flux is proportional to the rate of conversion of the potential energy of the mean flow into the kinetic energy of the turbulence. It is not unusual for conversion to proceed in both directions simultaneously. This occurs, for instance, in both clear and cloudy convective mixed layers which are capped by inversions. A partitioning of the net conversion into positive parts, generating turbulence kinetic energy (TKE), and negative parts (TKE-consuming), would make it possible to include the positive part in the gross production rate, and closure would be achieved. Three different approaches to partitioning have been proposed. The present investigation is concerned with a comparison of the three partitioning theories. Particular attention is given to the cloud-topped mixed layer because in this case the differences between two partitioning approaches are most apparent.

Randall, D. A.↗
DOE OSTI2022

“Gray Zone” Simulations Using a Three-Dimensional Planetary Boundary Layer Parameterization in the Weather Research and Forecasting Model

Abstract Generating accurate weather forecasts of planetary boundary layer (PBL) properties is challenging in many geographical regions, oftentimes due to complex topography or horizontal variability in, for example, land characteristics. While recent advances in high-performance computing platforms have led to an increase in the spatial resolution of numerical weather prediction (NWP) models, the horizontal gridcell spacing (Δ x ) of many regional-scale NWP models currently fall within or are beginning to approach the gray zone (i.e., Δ x ≈ 100–1000 m). At these gridcell spacings, three-dimensional (3D) effects are important, as the most energetic turbulent eddies are neither fully parameterized (as in traditional mesoscale simulations) nor fully resolved [as in traditional large-eddy simulations (LES)]. In light of this modeling challenge, we have implemented a 3D PBL parameterization for high-resolution mesoscale simulations using the Weather Research and Forecasting Model. The PBL scheme, which is based on the algebraic model developed by Mellor and Yamada, accounts for the 3D effects of turbulence by calculating explicitly the momentum, heat, and moisture flux divergences in addition to the turbulent kinetic energy. In this study, we present results from idealized simulations in the gray zone that illustrate the benefit of using a fully consistent turbulence closure framework under convective conditions. While the 3D PBL scheme reproduces the evolution of convective features more appropriately than the traditional 1D PBL scheme, we highlight the need to improve the turbulent length scale formulation. Significance Statement The spatial resolution of weather models continues to increase at a rapid rate in accordance with the enhancement of computing power. As a result, smaller-scale atmospheric features become more explicitly resolved. However, most numerical models still ignore the impact of horizontal weather variations on boundary layer flows, which becomes more important at these smaller spatial scales. To address this issue, we have implemented a new modeling approach, using fundamental principles, which accounts for horizontal variability. Our results show that including three-dimensional effects of turbulence is necessary to achieve realistic boundary layer characteristics. This novel technique may be useful for many applications including complex terrain flows, pollutant dispersion, and surface–atmosphere interaction studies.

Juliano, Timothy W.↗
NASA NTRS1988

Theoretical study of turbulent channel flow: Bulk properties, pressure fluctuations, and propagation of electromagnetic waves

In this paper, we apply two theoretical turbulence models, DIA and the recent GISS model, to study properties of a turbulent channel flow. Both models provide a turbulent kinetic energy spectral function E(k) as the solution of a non-linear equation; the two models employ the same source function but different closures. The source function is characterized by a rate n sub s (k) which is derived from the complex eigenvalues of the Orr--Sommerfeld (OS) equation in which the basic flow is taken to be of a Poiseuille type. The O--S equation is solved for a variety of Reynolds numbers corresponding to available experimental data. A physical argument is presented whereby the central line velocity characterizing the basic flow, U0 sup L, is not to be identified with the U0 appearing in the experimental Reynolds number. The theoretical results are compared with two types of experimental data: (1) turbulence bulk properties, and (2) properties that depend stongly on the structure of the turbulence spectrun at low wave numbers. The only existing analytical expression for Pi (k) cannot be used in the present case because it applies to the case of a flat plate, not a finite channel.

Canuto, V. M.↗
NASA NTRS1990

Theoretical study of turbulent channel flow - Bulk properties, pressure fluctuations, and propagation of electromagnetic waves

In this paper, we apply two theoretical turbulence models, DIA and the recent GISS model, to study properties of a turbulent channel flow. Both models provide a turbulent kinetic energy spectral function E(k) as the solution of a non-linear equation; the two models employ the same source function but different closures. The source function is characterized by a rate n sub s (k) which is derived from the complex eigenvalues of the Orr-Sommerfeld (OS) equation in which the basic flow is taken to be of a Poiseuille type. The O-S equation is solved for a variety of Reynolds numbers corresponding to available experimental data. A physical argument is presented whereby the central line velocity characterizing the basic flow, U0 sup L, is not to be identified with the U0 appearing in the experimental Reynolds number. The theoretical results are compared with two types of experimental data: (1) turbulence bulk properties, and (2) properties that depend strongly on the structure of the turbulence spectrum at low wave numbers. The only existing analytical expression for Pi (k) cannot be used in the present case because it applies to the case of a flat plate, not a finite channel.

Canuto, V. M.↗
NASA NTRS1989

Second-Order Modeling of Low-Reynolds-Number Turbulence Near Walls

This paper presents a set of second-order closure models for low-Reynolds-number turbulence near the wall. Existing closure models for the Reynolds-stress equations were modified to show proper near-wall behavior. A dissipation-rate equation for the turbulent kinetic energy is also reformulated. The proposed models satisfy realizability and will not produce unphysical behavior. Fully developed channel flows are used for model testing. The equations are solved for the mean velocity, the Reynolds stresses, and the dissipation rate of the turbulent kinetic energy. The calculations are compared with both direct numerical simulations and with measurements. It is shown that the present models perform well in predicting the behavior of the turbulence near a wall. Significant improvements over previous models in predicting the components of the Reynolds stress tensor are obtained in the present models.

Shih, T.-H.↗
NASA NTRS2022

Atmospheric Energy Spectra in Global Kilometre-Scale Models

Eleven 40-day long integrations of five different global models with horizontal resolutions of less than 9 km are compared in terms of their global energy spectra. The method of normal-mode function decomposition is used to distinguish between balanced (Rossby wave; RW) and unbalanced (inertia-gravity wave; IGW) circulation. The simulations produce the expected canonical shape of the spectra, but their spectral slopes at mesoscales, and the zonal scale at which RW and IGW spectra intersect differ significantly. The partitioning of total wave energies into RWs an IGWs is most sensitive to the turbulence closure scheme and this partitioning is what determines the spectral crossing scale in the simulations, which differs by a factor of up to two. It implies that care must be taken when using simple spatial filtering to compare gravity wave phenomena in storm-resolving simulations, even when the model horizontal resolutions are similar. In contrast to the energy partitioning between the RWs and IGWs, changes in turbulence closure schemes do not seem to strongly affect spectral slopes, which only exhibit major differences at mesoscales. Despite their minor contribution to the global (horizontal kinetic plus potential available) energy, small scales are important for driving the global mean circulation. Our results support the conclusions of previous studies that the strength of convection is a relevant factor for explaining discrepancies in the energies at small scales. The models studied here produce the major large-scale features of tropical precipitation patterns. However, particularly at large horizontal wavenumbers, the spectra of upper tropospheric vertical velocity, which is a good indicator for the strength of deep convection, differ by factors of three or more in energy. High vertical kinetic energies at small scales are mostly found in those models that do not use any convective parameterisation.

DYAMOND↗
DOE OSTI2026

From PAH to fullerenes: Closing a nano bowl with a nano lid

Quantum chemical DLPNO-CCSD(T)/cc-pVDZ//B3LYP/6–31G(d) calculations have been performed to unravel the formation mechanism of buckminsterfullerene (C 60 ) via the reaction of the C 40 nano bowl (C 40 H 10 ) and corannulene (C 20 H 10 ). The generated potential energy surfaces and molecular properties were further utilized to evaluate equilibrium constants and rate constants of elementary chemical reactions involved in the C 60 synthesis. The overall C 40 H 10 + C 20 H 10 → C 60 + 10H 2 reaction is shown to be highly exoergic and hence thermodynamically favorable at temperatures above 700 K and a kinetically feasible pathway under high-temperature conditions was revealed. This route involves hydrogen atom abstraction steps to activate closed-shell reactants/intermediates alternating with cyclodehydrogenation reactions eventually zipping the edges between the reacting C 40 and C 20 units by consecutive closures of six- and five-membered rings between them. The reaction is driven/catalyzed by hydrogen atoms which carry out the hydrogen abstractions from C 60 H x and are later recovered on the cyclodehydrogenation stages. The initial association reaction, C 40 H 9 + C 20 H 10 → C 60 H 18 + H, linking the two units by a covalent C-C bond appears to represent the kinetic bottleneck of the whole multistep process. This reaction is fast at low temperatures but slows down and has its equilibrium shifted toward the reactants at high temperatures. Here, the feasibility of the proposed mechanism corroborates the hypothesis that C 60 can be produced through a series of elementary reactions typical for the PAH growth.

Equilibrium constant↗
NASA NTRS1982

Separated trailing-edge flow at a transonic Mach number

Results from an experimental investigation of a small-scale separated flow at a sharp trailing edge are presented. The separated flow was a result of sustained adverse pressure gradients. Experiments were carried out at a transonic Mach number, without any shock wave in the flow, and at a high Reynolds number. Measurements include surface pressure distributions, mean velocity, turbulent shear stress, turbulent kinetic energy, and some streamwise turbulence intensity profiles in the region from just upstream of separation to downstream into the near-wake, following wake-closure. The results show noticeable changes in the mean and turbulent quantities in the separated region although the wall adverse pressure gradients are relatively weak. Turbulent normal stress becomes important in the vicinity of separation and in the separated zone with regard to both mean-flow development and turbulence-energy production. The experimental data are used to assess the performance of two boundary-layer calculation methods.

Viswanath, P. R.↗
NASA NTRS1992

Reactant conversion in homogeneous turbulence: Mathematical modeling, computational validations and practical applications

Closed form analytical expressions are obtained for predicting the limited rate of reactant conversion in a binary reaction of the type F + rO yields (1 + r) Product in unpremixed homogeneous turbulence. These relations are obtained by means of a single point Probability Density Function (PDF) method based on the Amplitude Mapping Closure. It is demonstrated that with this model, the maximum rate of the reactants' decay can be conveniently expressed in terms of definite integrals of the Parabolic Cylinder Functions. For the cases with complete initial segregation, it is shown that the results agree very closely with those predicted by employing a Beta density of the first kind for an appropriately defined Shvab-Zeldovich scalar variable. With this assumption, the final results can also be expressed in terms of closed form analytical expressions which are based on the Incomplete Beta Functions. With both models, the dependence of the results on the stoichiometric coefficient and the equivalence ratio can be expressed in an explicit manner. For a stoichiometric mixture, the analytical results simplify significantly. In the mapping closure, these results are expressed in terms of simple trigonometric functions. For the Beta density model, they are in the form of Gamma Functions. In all the cases considered, the results are shown to agree well with data generated by Direct Numerical Simulations (DNS). Due to the simplicity of these expressions and because of nice mathematical features of the Parabolic Cylinder and the Incomplete Beta Functions, these models are recommended for estimating the limiting rate of reactant conversion in homogeneous reacting flows. These results also provide useful insights in assessing the extent of validity of turbulence closures in the modeling of unpremixed reacting flows. Some discussions are provided on the extension of the model for treating more complicated reacting systems including realistic kinetics schemes and multi-scalar mixing with finite rate chemical reactions in more complex configurations.

Madnia, C. K.↗
NASA NTRS1985

Simulation and modeling of homogeneous, compressed turbulence

Low Reynolds number homogeneous turbulence undergoing low Mach number isotropic and one-dimensional compression was simulated by numerically solving the Navier-Stokes equations. The numerical simulations were performed on a CYBER 205 computer using a 64 x 64 x 64 mesh. A spectral method was used for spatial differencing and the second-order Runge-Kutta method for time advancement. A variety of statistical information was extracted from the computed flow fields. These include three-dimensional energy and dissipation spectra, two-point velocity correlations, one-dimensional energy spectra, turbulent kinetic energy and its dissipation rate, integral length scales, Taylor microscales, and Kolmogorov length scale. Results from the simulated flow fields were used to test one-point closure, two-equation models. A new one-point-closure, three-equation turbulence model which accounts for the effect of compression is proposed. The new model accurately calculates four types of flows (isotropic decay, isotropic compression, one-dimensional compression, and axisymmetric expansion flows) for a wide range of strain rates.

Wu, C. T.↗
DOE OSTI2022

Biomimetic Metal-Free Hydride Donor Catalysts for CO 2 Reduction

The catalytic reduction of carbon dioxide to fuels and value-added chemicals is of significance for the development of carbon recycling technologies. One of the main challenges associated with catalytic CO 2 reduction is product selectivity: the formation of carbon monoxide, molecular hydrogen, formate, methanol, and other products occurs with similar thermodynamic driving forces, making it difficult to selectively reduce CO 2 to the target product. Significant scientific effort has been aimed at the development of catalysts that can suppress the undesired hydrogen evolution reaction and direct the reaction toward the selective formation of the desired products, which are easy to handle and store. Inspired by natural photosynthesis, where the CO 2 reduction is achieved using NADPH cofactors in the Calvin cycle, in this study we explore biomimetic metal-free hydride donors as catalysts for the selective reduction of CO 2 to formate. Here, we outline our recent findings on the thermodynamic and kinetic parameters that control the hydride transfer from metal-free hydrides to CO 2 . By experimentally measuring and theoretically calculating the thermodynamic hydricities of a range of metal-free hydride donors, we derive structural and electronic factors that affect their hydride-donating abilities. Two dominant factors that contribute to the stronger hydride donors are identified to be (i) the stabilization of the positive charge formed upon HT via aromatization or by the presence of electron-donating groups and (ii) the destabilization of hydride donors through the anomeric effect or in the presence of significant structural constrains in the hydride molecule. Hydride donors with appropriate thermodynamic hydricities were reacted with CO 2 , and the formation of the formate ion (the first reduction step in CO 2 reduction to methanol) was confirmed experimentally, providing an important proof of principle that organocatalytic CO 2 reduction is feasible. The kinetics of hydride transfer to CO 2 were found to be slow, and the sluggish kinetics were assigned in part to the large self-exchange reorganization energy associated with the organic hydrides in the DMSO solvent. Finally, we outline our approaches to the closure of the catalytic cycle via the electrochemical and photochemical regeneration of the hydride (R–H) from the conjugate hydride acceptors (R + ). We illustrate how proton-coupled electron transfer can be efficiently utilized not only to lower the electrochemical potential at which the hydride regeneration takes place but also to suppress the unwanted dimerization that neutral radical intermediates tend to undergo. Overall, this account provides a summary of important milestones achieved in organocatalytic CO 2 reduction and provides insights into the future research directions needed for the discovery of inexpensive catalysts for carbon recycling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Characterization of Swirl-Venturi Lean Direct Injection Designs for Aviation Gas-Turbine Combustion

Injector geometry, physical mixing, chemical processes, and engine cycle conditions together govern performance, operability and emission characteristics of aviation gas-turbine combustion systems. The present investigation explores swirl-venturi lean direct injection combustor fundamentals, characterizing the influence of key geometric injector parameters on reacting flow physics and emission production trends. In this computational study, a design space exploration was performed using a parameterized swirl-venturi lean direct injector model. From the parametric geometry, 20 three-element lean direct injection combustor sectors were produced and simulated using steady-state, Reynolds-averaged Navier-Stokes reacting computations. Species concentrations were solved directly using a reduced 18-step reaction mechanism for Jet-A. Turbulence closure was obtained using a nonlinear κ-ε model. Results demonstrate sensitivities of the geometric perturbations on axially averaged flow field responses. Output variables include axial velocity, turbulent kinetic energy, static temperature, fuel patternation and minor species mass fractions. Significant trends have been reduced to surrogate model approximations, intended to guide future injector design trade studies and advance aviation gas-turbine combustion research.

Combustion Chamber↗
DOE OSTI2022

The local wavenumber model for computation of turbulent mixing

We present an overview of the current status in the development of a two-point spectral closure model for turbulent flows, known as the local wavenumber (LWN) model. The model is envisioned as a practical option for applications requiring multi-physics simulations in which statistical hydrodynamics quantities such as Reynolds stresses, turbulent kinetic energy, and measures of mixing such as density-correlations and mix-width evolution, need to be captured with relatively high fidelity. In this review, we present the capabilities of the LWN model since it was first formulated in the early 1990s, for computations of increasing levels of complexity ranging from homogeneous isotropic turbulence, inhomogeneous and anisotropic single-fluid turbulence, to two-species mixing driven by buoyancy forces. The review concludes with a discussion of some of the more theoretical considerations that remain in the development of this model.

42 ENGINEERING↗
DOE OSTI2021

Implementation of a 9-point stencil in SOLPS-ITER and implications for Alcator C-Mod divertor plasma simulations

The SOLPS-ITER code suite is used worldwide for plasma edge modeling, the interpretation of experiments, as well as for the design of the ITER divertor. The numerical scheme of the plasma solver of the code, B2.5, is based on the assumption of perfectly field-aligned grids, while in practice grids are often strongly distorted to match divertor target shapes. Neglecting these grid distortion leads to qualitatively and quantitatively incorrect results for fluid neutral simulations, and may affect results in cold (detached) divertors even when using kinetic neutral simulations. In this contribution, we present the first results of a newly implemented 9-point stencil in B2.5 to properly handle misaligned grids. The new scheme is then applied to fluid neutral simulations of a well-diagnosed and previously modeled Alcator C-Mod discharge. Results are compared with the original 5-point scheme neglecting grid distortion effects, as well as with simulations including a full kinetic neutral model. We conclude that the 9-point stencil is essential to correctly model the transport of fluid neutrals on distorted grids, and to capture the effects of divertor closure on the fluid neutral behavior.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1983

A two-equation turbulence model for two-phase flows

A two-equation turbulence model has been developed for predicting two-phase flows. The two equations describe the conservation of turbulence kinetic energy and dissipation rate of that energy for the carrier fluid in a two-phase flow. They have been derived rigorously from the momentum equations of the carrier fluid. Closure of the time-mean equations is achieved by modeling the turbulent correlations up to third order. The new model eliminates the need to simulate in an ad hoc manner the effects of the dispersed phase on turbulence structure. Preliminary testing indicates that the model is successful in predicting the main features of a round gaseous jet laden with uniform-size solid particles.

Elghobashi, S. E.↗