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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

MHD Turbulence and Magnetic Dynamos

Incompressible magnetohydrodynamic (MHD) turbulence and magnetic dynamos, which occur in magnetofluids with large fluid and magnetic Reynolds numbers, will be discussed. When Reynolds numbers are large and energy decays slowly, the distribution of energy with respect to length scale becomes quasi-stationary and MHD turbulence can be described statistically. In the limit of infinite Reynolds numbers, viscosity and resistivity become zero and if these values are used in the MHD equations ab initio, a model system called ideal MHD turbulence results. This model system is typically confined in simple geometries with some form of homogeneous boundary conditions, allowing for velocity and magnetic field to be represented by orthogonal function expansions. One advantage to this is that the coefficients of the expansions form a set of nonlinearly interacting variables whose behavior can be described by equilibrium statistical mechanics, i.e., by a canonical ensemble theory based on the global invariants (energy, cross helicity and magnetic helicity) of ideal MHD turbulence. Another advantage is that truncated expansions provide a finite dynamical system whose time evolution can be numerically simulated to test the predictions of the associated statistical mechanics. If ensemble predictions are the same as time averages, then the system is said to be ergodic; if not, the system is nonergodic. Although it had been implicitly assumed in the early days of ideal MHD statistical theory development that these finite dynamical systems were ergodic, numerical simulations provided sufficient evidence that they were, in fact, nonergodic. Specifically, while canonical ensemble theory predicted that expansion coefficients would be (i) zero-mean random variables with (ii) energy that decreased with length scale, it was found that although (ii) was correct, (i) was not and the expected ergodicity was broken. The exact cause of this broken ergodicity was explained, after much investigation, by greatly extending the statistical theory of ideal MHD turbulence. The mathematical details of broken ergodicity, in fact, give a quantitative explanation of how coherent structure, dynamic alignment and force-free states appear in turbulent magnetofluids. The relevance of these ideal results to real MHD turbulence occurs because broken ergodicity is most manifest in the ideal case at the largest length scales and it is in these largest scales that a real magnetofluid has the least dissipation, i.e., most closely approaches the behavior of an ideal magnetofluid. Furthermore, the effects grow stronger when cross and magnetic helicities grow large with respect to energy, and this is exactly what occurs with time in a real magnetofluid, where it is called selective decay. The relevance of these results found in ideal MHD turbulence theory to the real world is that they provide at least a qualitative explanation of why confined turbulent magnetofluids, such as the liquid iron that fills the Earth's outer core, produce stationary, large-scale magnetic fields, i.e., the geomagnetic field. These results should also apply to other planets as well as to plasma confinement devices on Earth and in space, and the effects should be manifest if Reynolds numbers are high enough and there is enough time for stationarity to occur, at least approximately. In the presentation, details will be given for both theoretical and numerical results, and references will be provided.

Shebalin, John V↗
DOE OSTI2025

Pd–Methyl Bond Energy─Property Correlations, Noncorrelations, Machine Learning Models, and Application to Polymerization Catalysis

Metal–carbon bonds are a key intermediate in a variety of homogeneous organometallic transformations and often determine the critical thermodynamics and kinetics of catalytic processes. Surprisingly, the influence of different ligands on metal–carbon bond strengths has been largely overlooked. Here, in this study, we evaluated nearly 700 experimental Pd–methyl complexes by calculating their bond dissociation energies using density functional theory (DFT) and compared these bond strengths to several fundamental molecular properties, and this revealed several surprising correlations and noncorrelations. Most surprising was that several fundamental properties, such as the bond length, bond force constant, and bond electron density, have no correlation with bond strength, despite these correlations often holding for main-group compounds. We were indeed able to identify key ligand-dependent chemical features/descriptors that provided a highly accurate machine learning model and provided insight into the general factors that control the Pd–carbon bond strength, such as radical delocalization and nucleophilicity. Insights gained from the Pd–Me bond energy analysis were then applied to CO migratory insertion steps that are part of copolymerization reactions.

binding energy↗
NASA NTRS1988

Thermal properties of heterogeneous grains

Cometary dust is not spherical nor homogeneous, yet these are the assumptions used to model its thermal, optical, and dynamical properties. To better understand the effects of heterogeneity on the thermal and optical properties of dust grains, the effective dielectric constant for an admixture of magnetite and a silicate were calculated using two different effective medium theories: the Maxwell-Garnett theory and the Bruggeman theory. In concept, the MG theory describes the effective dielectric constant of a matrix material into which is embedded a large number of very small inclusions of a second material. The Bruggeman theory describes the dielectric constant of a well mixed aggregate of two or more types of materials. Both theories assume that the individual particles are much smaller than the wavelength of the incident radiation. The refractivity for a heterogeneous grain using the MG theory is very similar to the refractivity of the matrix material, even for large volume fractions of the inclusion. The equilibrium grain temperature for spherical particles sized from .001 to 100 microns in radius at 1 astronomical unit from the sun was calculated. Further explanation is given.

Lien, David J.↗
NASA NTRS1990

Modeling the pressure-strain correlation of turbulence: An invariant dynamical systems approach

The modeling of the pressure-strain correlation of turbulence is examined from a basic theoretical standpoint with a view toward developing improved second-order closure models. Invariance considerations along with elementary dynamical systems theory are used in the analysis of the standard hierarchy of closure models. In these commonly used models, the pressure-strain correlation is assumed to be a linear function of the mean velocity gradients with coefficients that depend algebraically on the anisotropy tensor. It is proven that for plane homogeneous turbulent flows the equilibrium structure of this hierarchy of models is encapsulated by a relatively simple model which is only quadratically nonlinear in the anisotropy tensor. This new quadratic model - the SSG model - is shown to outperform the Launder, Reece, and Rodi model (as well as more recent models that have a considerably more complex nonlinear structure) in a variety of homogeneous turbulent flows. Some deficiencies still remain for the description of rotating turbulent shear flows that are intrinsic to this general hierarchy of models and, hence, cannot be overcome by the mere introduction of more complex nonlinearities. It is thus argued that the recent trend of adding substantially more complex nonlinear terms containing the anisotropy tensor may be of questionable value in the modeling of the pressure-strain correlation. Possible alternative approaches are discussed briefly.

Speziale, Charles G.↗
NASA NTRS1991

Modelling the pressure-strain correlation of turbulence - An invariant dynamical systems approach

The modeling of the pressure-strain correlation of turbulence is examined from a basic theoretical standpoint with a view toward developing improved second-order closure models. Invariance considerations along with elementary dynamical systems theory are used in the analysis of the standard hierarchy of closure models. In these commonly used models, the pressure-strain correlation is assumed to be a linear function of the mean velocity gradients with coefficients that depend algebraically on the anisotropy tensor. It is proven that for plane homogeneous turbulent flows the equilibrium structure of this hierarchy of models is encapsulated by a relatively simple model which is only quadratically nonlinear in the anisotropy tensor. This new quadratic model - the SSG model - is shown to outperform the Launder, Reece, and Rodi model (as well as more recent models that have a considerably more complex nonlinear structure) in a variety of homogeneous turbulent flows. Some deficiencies still remain for the description of rotating turbulent shear flows that are intrinsic to this general hierarchy of models and, hence, cannot be overcome by the mere introduction of more complex nonlinearities. It is thus argued that the recent trend of adding substantially more complex nonlinear terms containing the anisotropy tensor may be of questionable value in the modeling of the pressure-strain correlation. Possible alternative approaches are discussed briefly.

Speziale, Charles G.↗
DOE OSTI2025

The role of moisture in MgCl 2 salt: A multiscale approach to TES performance

This study presents a comprehensive multiscale analysis to evaluate the influence of moisture on the thermal performance of thermal energy storage systems using magnesium chloride (MgCl 2 ) as the phase-changing material. The system uses graphite foam with 90% relative density to enhance thermal conductivity. The analysis includes thermal conductivity calculations and specific heat capacity for different hydrate phases of MgCl 2 : Anhydrous, Mono, Di, Tetra, and Hexa. These properties were evaluated for the first time using the phonon density of states from Density Functional Theory simulations. Results showed that thermal conductivity decreased, while specific heat capacity increased by a factor of two as the phase changed from anhydrous to hexahydrate. Meso-scale models were created to account for the anisotropy of graphite foam and property variations of the MgCl 2 hydrate phases. Asymptotic Expansion homogenization simulations determined the anisotropic thermal conductivity for all phases. This unique methodology improved simulation accuracy, which matched experimental data for anhydrous MgCl 2 . A parametric study examined various operating conditions and their effect on TES performance. It revealed that higher charging temperatures did not enhance exergy efficiency, but increased discharge mass flow rates improved it due to better heat transfer. Thermal performance evaluated by the exergy efficiency remained consistent across hydrate systems under the tested conditions. Furthermore, the study suggests that this uniformity is linked to missing key data, particularly latent heat and melting point for different hydrates. Overall, it highlights the importance of multiscale effects and accurate material properties in designing and optimizing TES systems.

Molten salt degradation↗
DOE OSTI2022

Closures for multicomponent reacting flows based on dispersion analysis

This work presents algebraic closure models associated with advective transport and nonlinear reactions in a Reynolds-averaged Navier-Stokes context for a system of species subject to binary reactions and transport by advection and diffusion. Expanding upon analysis originally developed for non-reactive transport in the context of Taylor dispersion of scalars, this work extends the modified gradient diffusion model explicated by Peters [N. Peters, Turbulent Combustion, Cambridge Monographs on Mechanics (Cambridge University Press, Cambridge, 2000)] and based on work by Corrsin [S. Corrsin, The reactant concentration spectrum in turbulent mixing with a first-order reaction, J. Fluid Mech. 11, 407 (1961)] beyond single-component transport phenomena and involving nonlinear reactions. The presented model forms, from this weakly nonlinear extension of the original dispersion theory, lead to an analytic expression for the eddy diffusivity matrix that explicitly captures the influence of the reaction kinetics on the closure operators. Furthermore, we demonstrate that the derived model form directly translates between flow topologies through a priori and a posteriori testing of a binary species system subject to homogeneous isotropic turbulence. Using two- and three-dimensional direct numerical simulations involving laminar and turbulent flows, it is shown that this framework improves prediction of mean quantities compared to previous results. Lastly, the presented model form, collapses to the earlier gradient diffusion and its modified version derived by Corrsin in the limits of nonreactive species and linear reactions, respectively.

42 ENGINEERING↗
DOE OSTI2020

Theoretical Correlation of Elemental Distribution of Nd and Pr in Ce-Fe-B Microstructure With Hard Magnetic Properties

Relatively resource-rich but property inferior-Ce-Fe-B magnet can be improved by partial replacement of Ce by Nd and/or Pr. In addition to the amount of Nd/Pr, their distribution profile in microstructure plays an important role. From our first principles density functional theory (DFT) calculation, the substitution energy of Ce by Pr/Nd is negative in Ce 2 Fe 14 B (2:14:1) while that for laves phase, CeFe 2 is positive, implying that Nd/Pr stabilize 2:14:1 and suppress the formation of the CeFe 2 phase. Further, micromagnetic simulation indicates that homogenized distribution of Nd/Pr improves squareness of demagnetization curve, while core (Ce-rich)-shell (Nd/Pr-rich) 2:14:1 grain structure enhances coercivity. Magnetic properties of Ce-Fe-B can be optimized by manipulating distribution profile of chemical element in microstructure based on their subtle difference in thermodynamic property, which is an effective pathway to design optimized chemical composition and processing route for high-performance magnet.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Effect of Boundary Conditions on the Axial Compression Buckling of Homogeneous Orthotropic Composite Cylinders in the Long Column Range

Buckling loads for long isotropic and laminated cylinders are calculated based on Euler, Fluegge and Donnell's equations. Results from these methods are presented using simple parameters useful for fundamental design work. Buckling loads for two types of simply supported boundary conditions are calculated using finite element methods for comparison to select cases of the closed form solution. Results indicate that relying on Donnell theory can result in an over-prediction of buckling loads by as much as 40% in isotropic materials.

Mikulas, Martin M., Jr.↗
NASA NTRS1975

Effects of opposing voltage and magnetic fields on charged particle motion

The motion of charged particles was examined in the case of a homogeneous magnetic field together with an orthogonal electric field which has a gradient opposing voltage parallel to the electric field. Two regimes result: in one of these, the particles' rate of gyration is changed from the conventional gyrofrequency; in the other, acceleration of the particle takes place. Applied to a plasma, the theory predicts new electric currents orthogonal to magnetic fields.

Cole, K. D.↗
NASA NTRS1976

Acoustic radiation and surface pressure characteristics of an airfoil due to incident turbulence

The noise and unsteady surface pressure characteristics of an isolated airfoil in a uniform mean velocity, homogeneous, nearly isotropic turbulence field were investigated. Experiments were performed with a 23 cm chord, two-dimensional airfoil over a Mach number range of 0.1 to 0.5. Far-field noise spectra and directivity as well as surface pressure spectra and cross-spectra were obtained. Incident turbulence statistics were documented. Theory applied to predict far-field noise and surface pressure characteristics from measured inflow turbulence statistics showed good agreement with measurement. The theoretical formulation represents a first-principles solution providing absolute level prediction without recourse to empirical or adjustable constants, and takes into account compressibility as well as source noncompactness effects. All chordwise portions of the airfoil radiated directly to the far-field, the leading edge to the dominant noise producing region. The effect of angle of attack on noise and surface pressures is small. The interaction of incident turbulence of approximately 4 percent intensity with an airfoil was found to be a broadband noise source of high intensity relative to other noise sources.

Paterson, R. W.↗
NASA NTRS1987

Exact image method for Gaussian beam problems involving a planar interface

Exact image method, recently introduced for the solution of electromagnetic field problems involving sources above a planar interface or two homogeneous media, is shown to be valid also for sources located in complex space, which makes its application possible for Gaussian beam analysis. It is demonstrated that the Goos-Hanchen shift and the angular shift of a TE polarized beam are correctly given as asymptotic results by the exact reflection image theory. Also, the apparent image location giving the correct Gaussian beam transmitted through the interface is obtained as another asymptotic check. The present theory makes it possible to calculate the exact coupling from the Gaussian beam to the reflected and refracted beams, as well as to the surface wave.

Lindell, I. V.↗
NASA NTRS1989

Composite blade structural analyzer (COBSTRAN) user's manual

The installation and use of a computer code, COBSTRAN (COmposite Blade STRuctrual ANalyzer), developed for the design and analysis of composite turbofan and turboprop blades and also for composite wind turbine blades was described. This code combines composite mechanics and laminate theory with an internal data base of fiber and matrix properties. Inputs to the code are constituent fiber and matrix material properties, factors reflecting the fabrication process, composite geometry and blade geometry. COBSTRAN performs the micromechanics, macromechanics and laminate analyses of these fiber composites. COBSTRAN generates a NASTRAN model with equivalent anisotropic homogeneous material properties. Stress output from NASTRAN is used to calculate individual ply stresses, strains, interply stresses, thru-the-thickness stresses and failure margins. Curved panel structures may be modeled providing the curvature of a cross-section is defined by a single value function. COBSTRAN is written in FORTRAN 77.

Aiello, Robert A.↗
DOE OSTI2021

Effects of surface species and homogeneous reactions on rates and selectivity in ethane oxidation on oxide catalysts

Selective alkane oxidations on metal oxide catalysts involve complex mechanisms with multiple reactions in series and parallel, different types of reduced and oxidized surface species, and potential contributions from gas-phase reactions. We report kinetics and thermodynamics of elementary steps involved in C 2 H 6 -O 2 reactions on SiO 2 -supported small vanadium oxide domains are determined using density functional theory. These surface reactions together with gas-phase mechanisms are incorporated in kinetic simulations to determine how surface and gaseous reactions interact and contribute to rates and selectivity. The results show that gas-phase reactions within pore volumes in contact with the catalyst contribute significantly to C 2 H 6 activation rates, even at conditions where gas-phase reactions in empty volumes without catalyst are negligible. The majority of C 2 H 6 activations occur on the surface, via H abstraction by vanadium oxo species present at terminal lattice oxygens. The gas-phase activations via H-abstraction by OH radicals also exhibit significant contributions. The reduced centers formed by reactions at vanadium oxo species are re-oxidized rapidly and, therefore, are present in very small concentrations at reaction conditions. The re-oxidation steps lead to the formation of HO 2 radicals and surface peroxo species that are also rapidly consumed and are present in small concentrations. The peroxo species preferentially convert C 2 H 4 to its epoxide product and influence selectivity even at low concentrations. The gas-phase reactions decrease the concentrations of peroxo species and improve selectivity slightly. The effects of reaction conditions and catalyst site density provide further insights into how factors beyond conversions at lattice oxygens influence rates and selectivity in alkane oxidation reactions of significant industrial importance.

42 ENGINEERING↗
NASA NTRS1974

Investigation of the large scale coherent structure in a jet and its relevance to jet noise

A study was conducted to determine the causes of aircraft noise in large jet aircraft. It was determined that jet noise varies strongly with velocity and that significant pure tones are generated by rotor-stator interaction in the jet engines. An objective method for deducing the large eddy structure in a large jet is described. The provisions of lighthill's theory are analyzed and applied to investigating the nature of jet noise. There is considerable evidence that a large scale coherent structure exists in a jet and that this structure can play a major role in sound radiation. Mathematical models are developed to define the parameters of orthogonal decomposition, finite extent velocity field, homogeneous fields, and periodic velocity fields.

Arndt, R. E. A.↗
NASA NTRS1977

An ILLIAC program for the numerical simulation of homogeneous incompressible turbulence

An algorithm and ILLIAC computer program, developed for the simulation of homogeneous incompressible turbulence in the presence of an applied mean strain, are described. The turbulence field is represented spatially by a truncated triple Fourier series (spectral method) and followed in time using a fourth-order Runge-Kutta algorithm. These include: (1) transformation of variables suggested by Taylor's sudden-distortion theory; (2) implicit viscous diffusion by use of an integrating factor; (3) implicit pressure calculation suggested by Taylor's sudden-distortion theory, and (4) inexpensive control of aliasing by random and phased coordinate shifts.

Rogallo, R. S.↗
NASA NTRS1982

Temperature dependence of the formation of sulfate aerosols in the stratosphere

Classical nucleation theory is used in calculations of the temperature dependence of the characteristics and nucleation rates of sulfate aerosols in the binary H2SO4-H2O vapor mixture, in order to assess the influence of temperature on the formation of sulfate aerosols in the stratosphere, and to explore the possibility of new particle formation through homogeneous nucleation processes at regions where temperature is as low as -75 C, rather than the often-assumed -50 or -55 C. Calculation results indicate that the number of particles formed at a lower temperature is larger by several orders of magnitude than at higher temperatures, when water and sulfuric acid vapor concentrations are kept constant, and that large quantities of ultrafine particles which cannot be detected by conventional methods may exist at low-temperature stratospheric regions.

Yue, G. K.↗
NASA NTRS1975

Nonstationary homogeneous nucleation

A computer calculation was made of the relaxation time to steady-state nucleation in a supersaturated vapor. A binary-collision model of nucleation based on classical liquid-drop thermodynamics was used. The nondimensional nucleation relaxation time is plotted as a function of the critical drop size for various values of the surface-tension parameter. The curves permit a rough estimation of the limit of the validity of steady-state nucleation theory.

Harstad, K. G.↗