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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Modification of the MML turbulence model for adverse pressure gradient flows

Computational fluid dynamics is being used increasingly to predict flows for aerospace propulsion applications, yet there is still a need for an easy to use, computationally inexpensive turbulence model capable of accurately predicting a wide range of turbulent flows. The Baldwin-Lomax model is the most widely used algebraic model, even though it has known difficulties calculating flows with strong adverse pressure gradients and large regions of separation. The modified mixing length model (MML) was developed specifically to handle the separation which occurs on airfoils and has given significantly better results than the Baldwin-Lomax model. The success of these calculations warrants further evaluation and development of MML. The objective of this work was to evaluate the performance of MML for zero and adverse pressure gradient flows, and modify it as needed. The Proteus Navier-Stokes code was used for this study and all results were compared with experimental data and with calculations made using the Baldwin-Lomax algebraic model, which is currently available in Proteus. The MML model was first evaluated for zero pressure gradient flow over a flat plate, then modified to produce the proper boundary layer growth. Additional modifications, based on experimental data for three adverse pressure gradient flows, were also implemented. The adapted model, called MMLPG (modified mixing length model for pressure gradient flows), was then evaluated for a typical propulsion flow problem, flow through a transonic diffuser. Three cases were examined: flow with no shock, a weak shock and a strong shock. The results of these calculations indicate that the objectives of this study have been met. Overall, MMLPG is capable of accurately predicting the adverse pressure gradient flows examined in this study, giving generally better agreement with experimental data than the Baldwin-Lomax model.

Conley, Julianne M.↗
NASA NTRS1990

Nonlinear phase-space diffusion approach to turbulent organized structures

The study deals with the approximation of the effect of all velocity-increment moments on the spatial evolution of the pdf for maximally correlated structures by the effect of the second moment alone by assuming independence of separated length scales. The dependence of the two-point velocity statistics on length-scale or separation is found to be governed by the gradients of the stress, rather than of the velocity. This may provide a new approach for predicting the domain patterns observed in turbulent flows and a new means of characterizing or classifying different structures, namely, by their nonlinear diffusion coefficient.

Shen, Hubert H.↗
DOE OSTI2019

Space Charge Effects on Ion Mobility Spectrometry

We study the space charge limited maximal current density j″ of mobility-selected ions that can be transmitted in ion mobility spectrometry (IMS). Theory and experiments focus on differential mobility analyzers (DMAs), but are readily generalizable to other IMS devices. Repulsion between the ions in the cloud leads to beam spreading, with significant broadening once the ion number density n becomes comparable to the space charge saturation limit n{sub sat} = ε{sub o}E{sub o}/(eΔ). Δ is the distance traversed by the ions in the direction of an externally imposed electric field E{sub o}, and e is the charge on each ion. For ions of electrical mobility Z, j″ is then limited below j″{sub sat} = ZE{sub o}en{sub sat} = Zε{sub o}E{sub o}{sup 2}/Δ. A theory including diffusion and space charge effects is developed that reduces to Burgers’ exactly solvable equation. The theory is tested in experiments with room temperature electrosprays (ES) of 100 mM [ethyl{sub 3}N{sup +}-formate{sup −}] in methanol. This spray produces primarily a single ionic species at very high initial concentration n, which may be tuned above or below n{sub sat} by varying the distance from the ES emitter to the inlet slit of the DMA. Mobility-selected ion densities n > 3.10{sup 8} ions/cm{sup 3} are achieved, with n~n{sub sat}, and with drastically broadened mobility peak shapes having the approximate top hat-predicted shapes. However, the largest n values approaching n{sub sat} are not quantitatively measurable because the densest sprays do not fill the outlet slit length. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Multiscale model of metal alloy oxidation at grain boundaries

High temperature intergranular oxidation and corrosion of metal alloys is one of the primary causes of materials degradation in nuclear systems. In order to gain insights into grain boundary oxidation processes, a mesoscale metal alloy oxidation model is established by combining quantum Density Functional Theory (DFT) and mesoscopic Poisson-Nernst-Planck/classical DFT with predictions focused on Ni alloyed with either Cr or Al. Analysis of species and fluxes at steady-state conditions indicates that the oxidation process involves vacancy-mediated transport of Ni and the minor alloying element to the oxidation front and the formation of stable metal oxides. The simulations further demonstrate that the mechanism of oxidation for Ni-5Cr and Ni-4Al is qualitatively different. Intergranular oxidation of Ni-5Cr involves the selective oxidation of the minor element and not matrix Ni, due to slower diffusion of Ni relative to Cr in the alloy and due to the significantly smaller energy gain upon the formation of nickel oxide compared to that of Cr{sub 2}O{sub 3}. This essentially one-component oxidation process results in continuous oxide formation and a monotonic Cr vacancy distribution ahead of the oxidation front, peaking at alloy/oxide interface. In contrast, Ni and Al are both oxidized in Ni-4Al forming a mixed spinel NiAl{sub 2}O{sub 4}. Different diffusivities of Ni and Al give rise to a complex elemental distribution in the vicinity of the oxidation front. Slower diffusing Ni accumulates in the oxide and metal within 3 nm of the interface, while Al penetrates deeper into the oxide phase. Ni and Al are both depleted from the region 3–10 nm ahead of the oxidation front creating voids. The oxide microstructure is also different. Cr{sub 2}O{sub 3} has a plate-like structure with 1.2–1.7 nm wide pores running along the grain boundary, while NiAl{sub 2}O{sub 4} has 1.5 nm wide pores in the direction parallel to the grain boundary and 0.6 nm pores in the perpendicular direction providing an additional pathway for oxygen diffusion through the oxide. The proposed theoretical methodology provides a framework for modeling metal alloy oxidation processes from first principles and on the experimentally relevant length scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Energy dynamics and current sheet structure in fluid and kinetic simulations of decaying magnetohydrodynamic turbulence

Simulations of decaying magnetohydrodynamic (MHD) turbulence are performed with a fluid and a kinetic code. The initial condition is an ensemble of long-wavelength, counter-propagating, shear-Alfvén waves, which interact and rapidly generate strong MHD turbulence. The total energy is conserved and the rate of turbulent energy decay is very similar in both codes, although the fluid code has numerical dissipation, whereas the kinetic code has kinetic dissipation. The inertial range power spectrum index is similar in both the codes. The fluid code shows a perpendicular wavenumber spectral slope of k{sub ⊥}{sup −1.3}. The kinetic code shows a spectral slope of k{sub ⊥}{sup −1.5} for smaller simulation domain, and k{sub ⊥}{sup −1.3} for larger domain. We estimate that collisionless damping mechanisms in the kinetic code can account for the dissipation of the observed nonlinear energy cascade. Current sheets are geometrically characterized. Their lengths and widths are in good agreement between the two codes. The length scales linearly with the driving scale of the turbulence. In the fluid code, their thickness is determined by the grid resolution as there is no explicit diffusivity. In the kinetic code, their thickness is very close to the skin-depth, irrespective of the grid resolution. This work shows that kinetic codes can reproduce the MHD inertial range dynamics at large scales, while at the same time capturing important kinetic physics at small scales.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Effects of configurational changes on molecular dynamics in polyvinylidene fluoride and poly(vinylidene fluoride-trifluoroethylene) ferroelectric polymers

Here, we present a comparative study of proton dynamics in unpoled non-ferroelectric polymer polyvinylidene fluoride (PVDF) and in its trifluoroethylene containing ferroelectric copolymer (with 70/30 molar proportion), using quasi-elastic neutron scattering. The neutron data reveal the existence of two distinct types of molecular motions in the temperature range investigated. Moreover, the slower motion, which is characterized in details here, is ascribed to protons jump diffusion along the polymeric carbon chains, while the faster motion could be attributed to localized rotational motion of methylene groups. At temperatures below the Curie point (T-c similar to 385 K) of the composite polymer, the slower diffusive mode experiences longer relaxation times in the ferroelectric blend than in the bare PVDF, although the net corresponding diffusion coefficient remains comparatively the same in both polymers with characteristic activation energy of E-A approximate to 27-33 kJ/mol. This arises because of a temperature dependent jump length r(0), which we observe to be effectively longer in the copolymer, possibly due to the formation of ordered ferroelectric domains below Tc. Above Tc, there is no appreciable difference in r(0) between the two systems. Our observation directly relates the known dependence of Tc on molar ratio to changes in r(0), providing fundamental insight into the ferroelectric properties of PVDF-based copolymers.

36 MATERIALS SCIENCE↗
DOE OSTI2019

On the use of LES-based turbulent thermal-stress models for rod bundle simulations

An alternative methodology is proposed here to overcome the excessive cost of large eddy simulations (LES) of full-length heated rod bundle calculations, while improving the inaccurate results typically obtained with Reynolds-averaged Navier-Stokes equations (RANS). While the cost of the full-length LES is generally too high, LES of a small section of a single rod is usually affordable. The idea presented here consists of using the information granted by the small LES calculation to determine the appropriate turbulence viscosity or turbulent thermal diffusivity that can be used to solve only for the temperature field in a pseudo-RANS approach. The study has been performed with single-rod simulations with a P/D of 1.12 and 1.24, considering rod lengths that are representative of reactor applications, for the cases of uniform heat flux and a more realistic cosine-like axial heat distribution. Here, the spectral element code Nek5000 has been used for all LES, RANS, and pseudo-RANS simulations. The recently proposed Nek5000 steady-state solver has been used for solving the temperature field in the pseudo-RANS approach and has proved significantly faster than transient schemes. Prediction of thermal quantities is compared with classical linear and nonlinear RANS models. LES for the full-length rods has also been performed and is used as a reference. Results of the proposed method show significant improvements with respect to those obtained with RANS.

42 ENGINEERING↗
DOE OSTI2017

Composite Boson Description of a Low-Density Gas of Excitons

Ground-state properties of a fermionic Coulomb gas are calculated using the fixed-node diffusion Monte Carlo method. The validity of the composite boson description is tested for different densities. We extract the exciton–exciton s-wave scattering length by solving the four-body problem in a harmonic trap and mapping the energy to that of two trapped bosons. The equation of state is consistent with the Bogoliubov theory for composite bosons interacting with the obtained s-wave scattering length. The perturbative expansion at low density has contributions physically coming from (a) exciton binding energy, (b) mean-field Gross–Pitaevskii interaction between excitons, and (c) quantum depletion of the excitonic condensate (Lee–Huang–Yang terms for composite bosons). In addition, for low densities we find a good agreement with the Bogoliubov bosonic theory for the condensate fraction of excitons. The equation of state in the opposite limit of large density is found to be well described by the perturbative theory including (a) mixture of two ideal Fermi gases and (b) exchange energy. We find that for low densities both energetic and coherent properties are correctly described by the picture of composite bosons (excitons).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Kinematically consistent models of viscoelastic stress evolution

Abstract Following large earthquakes, coseismic stresses at the base of the seismogenic zone may induce rapid viscoelastic deformation in the lower crust and upper mantle. As stresses diffuse away from the primary slip surface in these lower layers, the magnitudes of stress at distant locations (>1 fault length away) may slowly increase. This stress relaxation process has been used to explain delayed earthquake triggering sequences like the 1992 M w = 7.3 Landers and 1999 M w = 7.1 Hector Mine earthquakes in California. However, a conceptual difficulty associated with these models is that the magnitudes of stresses asymptote to constant values over long time scales. This effect introduces persistent perturbations to the total stress field over many earthquake cycles. Here we present a kinematically consistent viscoelastic stress transfer model where the total perturbation to the stress field at the end of the earthquake cycle is zero everywhere. With kinematically consistent models, hypotheses about the potential likelihood of viscoelastically triggered earthquakes may be based on the timing of stress maxima, rather than on any arbitrary or empirically constrained stress thresholds. Based on these models, we infer that earthquakes triggered by viscoelastic earthquake cycle effects may be most likely to occur during the first 50% of the earthquake cycle regardless of the assumed long‐term and transient viscosities.

DeVries, Phoebe M. R.↗
DOE OSTI2016

Synthesis of half-sphere/half-funnel-shaped silica structures by reagent localization and the role of water in shape control

Role of water and ammonium hydroxide is investigated in evolution of shape of silica structures in the polyvinylpyrrolidone-pentanol emulsion droplet system. Shape control of silica structures is demonstrated by localization of the reagents. A uniform dispersion of reagents provided straight silica rods, while localization of the reagents at the emulsion droplet periphery provided a new type of structures half sphere-half funnel. The absence of water in the initial stages prompted a different nucleation process for the structure growth compared to when water was present in the intial stages. Effect of effective water concentration appeared to be related to the ease of diffusion of silica percursor inside the emulsion droplet,i.e., the higher the water concentration, the lower the silica precursor diffusion. Additionally, mixing the reagents in different combinations before adding to the reaction mixture also affected the silica structure thickness, length, and shape.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Elucidating the Solvation Structure and Dynamics of Lithium Polysulfides Resulting from Competitive Salt and Solvent Interactions

Designing optimal electrolytes is key to enhancing the performance of energy storage devices,especially relating to cycle life, efficiency, and stability.1 Specifically, for future beyond-Li ion energy storage, there is still ample room for electrolyte improvements. Among the candidates for higher gravimetric energy storage, the Li-S battery is considered quite promising, owing to its theoretical specific energy density (2600 Wh/kg) and specific capacity (1675 mAh/g) and significantly lower cost as compared to state-of-art lithium-ion batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2019

High-Pressure Vapor-Liquid Equilibria of 1-Alkyl-1-Methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids and CO 2

The high-pressure vapor-liquid equilibrium for the binary systems of carbon dioxide (CO 2 ) and a series of 1-alkyl-1-methyl pyrrolidinium bis(trifluoromethylsulfonyl)amide ionic liquids ([C n C 1 pyr][NTf 2 ] ( n = 3,4,6)) are reported at 298.15, 318.15 and 338.15 K and at pressures up to 20 MPa. Experiments were conducted using gravimetric (IGA and XEMIS microbalances) and a volumetric method (high-pressure view cell). The solubility of CO 2 in pyrrolidinium ionic liquids increases with decreasing temperature and increasing pressure. The CO 2 solubility also slightly increases with increase in alkyl chain length on the pyrrolidinium cation. Molar volume and volume expansion of CO 2 + IL mixtures are also reported. The Fickian diffusion of CO 2 in pyrrolidinium based ionic liquids (~10 -10 m 2 ·s -1 ) was calculated at pressures of up to 2 MPa and found to be at the same order of magnitude but slightly lower than the diffusivity of CO 2 in imidazolium based ionic liquid with the [NTf 2 ] anion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Cross-plane Thermoelectric and Thermionic Transport across Au/ h -BN/Graphene Heterostructures

Here, the thermoelectric voltage generated at an atomically abrupt interface has not been studied exclusively because of the lack of established measurement tools and techniques. Atomically thin 2D materials provide an excellent platform for studying the thermoelectric transport at these interfaces. Here, we report a novel technique and device structure to probe the thermoelectric transport across Au/ h -BN/graphene heterostructures. An indium tin oxide (ITO) transparent electrical heater is patterned on top of this heterostructure, enabling Raman spectroscopy and thermometry to be obtained from the graphene top electrode in situ under device operating conditions. Here, an AC voltage V(ω) is applied to the ITO heater and the thermoelectric voltage across the Au/ h -BN/graphene heterostructure is measured at 2ω using a lock-in amplifier. We report the Seebeck coefficient for our thermoelectric structure to be –215 μV/K. The Au/graphene/ h -BN heterostructures enable us to explore thermoelectric and thermal transport on nanometer length scales in a regime of extremely short length scales. The thermoelectric voltage generated at the graphene/ h -BN interface is due to thermionic emission rather than bulk diffusive transport. As such, this should be thought of as an interfacial Seebeck coefficient rather than a Seebeck coefficient of the constituent materials.

42 ENGINEERING↗
DOE OSTI2024

Small resonant magnetic perturbations result in three-dimensional material transport in the fusion plasma edge

Erosion patterns in a 3D magnetic topology are significantly altered when compared to an axisymmetric scenario due to differences in the impurity transport in a plasma environment. When resonant magnetic perturbations are applied in L-Mode discharges, eroded impurities can buildup in regions where an axisymmetric plasma would otherwise lead to zones of net erosion across the full toroidal length of the divertor. The reduction on the local and integrated erosion observed across a parametric study of the anomalous diffusion and impurity content in a plasma, can lead to the extension of divertor lifetimes in low power scenarios when 3D fields are applied. By contrast, in axisymmetric scenarios, most of the carbon eroded from the divertor are carried away to the far scrape-off layer.

DIII-D↗
NASA NTRS1981

On the magnetic viscosity in Keplerian accretion disks

The paper develops a model for the anomalous viscosity in accretion disks based on the hypothesis that the hydrodynamic turbulence within the disk takes the form of spatially localized magnetic flux cells. The local shear flow due to Keplerian differential rotation distorts the flux cell topology, converting shear flow energy into magnetic energy. In the radial diffusion approximation, the kinematic viscosity is estimated from the radial displacement and is shown to maximize at flux cell scale lengths for which the shear flow stopping and reconnection times are equal.

Coroniti, F. V.↗
NASA NTRS1981

Analytical description of charged particle transport along arbitrary guiding-field configurations

Focused particle transport is analyzed in terms of partial differential equations which are applicable to arbitrary spatial variations of the mean free path and the focusing length. A distribution function for transport is written in two forms of the Boltzmann equation and a coefficient of spatial diffusion is defined. Changes from a nearly coherent propagation of flare particles in regions of strong focusing near the sun to ordinary diffusion in the outer solar system are described as supercoherent transitions. A solution to the steady state problem is developed and results are presented for a monopolar guiding field configuration with isotropic diffusion gradually giving way to anisotropy in a region suggestive of a collimated beam of particles streaming away from its source.

Earl, J. A.↗
NASA NTRS1988

An experimental study of air-assist atomizer spray flames

It is noted that air-assisted atomizer spray flames encountered in furnaces, boilers, and gas turbine combustors possess a more complex structure than homogeneous turbulent diffusion flames, due to the swirling motion introduced into the fuel and air flows for the control of flame stability, length, combustion intensity, and efficiency. Detailed comparisons are presented between burning and nonburning condition measurements of these flames obtained by nonintrusive light scattering phase/Doppler detection. Spray structure is found to be drastically changed within the flame reaction zone, with changes in the magnitude and shape of drop number density, liquid flux, mean drop size diameter, and drop mean axial velocity radial distributions.

Mao, Chien-Pei↗