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At least 1,063 records · Page 59

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NASA NTRS2002

Transient Mixing Driven by Buoyancy Flows

Mixing driven by buoyancy-induced flows is of particular interest to microgravity processes, as the body force that governs the intensity of flow fields can be directly controlled. We consider a model experimental system to explore the dynamics of mixing which employs two miscible liquids inside a cavity separated initially by a divider. The two liquids are oriented vertically inside a rectangular cavity with constant width and height, and varying depths to span the range of a Hele-Shaw cell to a 3-[) configuration. The two miscible liquids can be sufficiently diluted and died, for example water and deuterium oxide, such that a distinct interface exists across the divider. The transient mixing characteristic of the two fluids is addressed by following the Lagrangian history of the interface for various aspect ratios in the z-plane (depth variation) as well as a range of pulling velocities of the divider. The mixing characteristics of the two fluids are quantified from measurement of the length stretch of the interface and its flow field using respectively image processing techniques and Particle Imaging Velocimetry. Scaling analysis shows that the length stretch depends on four governing parameters, namely the Grashof number (Gr), Schmidt number (Sc), aspect ratio (Ar), and Reynolds number (Re). Variation of the Schmidt number is taken into account through thermophysical property variation. Thus our problem reduces to a codimension three bifurcation in parametric space for Gr, Ar, and Re. Our experimental results show that for Gr on the order of 106 and a nominal cavity aspect ratio Ar = 0.2, the net effect of removal of the divider and the overwhelming buoyancy force causes an overturning motion which stretches and folds the interface to produce ml internal breakwave. The structure of the breakwave is similar to the ubiquitous Rayleigh-Taylor instability morphology. The breakwave is dissipated either through internal or wall collision depending on the impulsive velocity of the divider as prescribed by the Reynolds number. The decay of the collision event occurs through sloshing oscillations over a short time scale. The two fluids then become stably stratified with a diffusive band at the interface indicating local mass transport. The local bifurcation of the internal breakwave is investigated as a function of aspect ratio. Results show that for narrow cavities on the order of 2mm (Ar = 0.04) folding does not occur, the interface only stretches. As the cavity size increases folding occurs through a supercritical bifurcation. Insight into the mechanism of folding is obtained from measurement of the flow field which shows that in the neighborhood of the folding event, there exists hyperbolic points caused by multiple vortex interactions. The global length stretch of the interface as a function of time is nearly Gaussian; calculations of finite-time Liapunov exponents as well as construction of horseshoe maps indicate the likelihood of a chaotic transient.

W.M.B. Duval↗

DOE OSTI2022

Polyethylene in Dead-End Silica Nanopores: Forces and Mobility from Non-Equilibrium Statistical Mechanics and Exchange Spectroscopy Nuclear Magnetic Resonance

Billions of tons of plastic have been produced, and only a small fraction of this has been recycled. Tennakoon et al. [Nature Catalysis 3, 893 (2020)] developed a catalyst that repeatedly cleaves C 10 –C 30 hydrocarbons from the end of a polyethylene chain. The reaction occurs at a Pt nanoparticle at the base of a cylindrical silica mesopore with a diameter of 2 nm and a length of 110 nm. Portions of the polymer situated inside the pore can be differentiated from those outside using 13 C nuclear magnetic resonance (NMR), allowing the dynamics and extent of polymer threading to be monitored using two-dimensional (2D) exchange spectroscopy NMR. Here we construct a Fokker–Planck equation for the polymer dynamics by assuming a reptation diffusivity and a graduated adsorption free energy that depends linearly on the depth of polymer penetration in the pore. The solutions allow us to predict the intensities of the 2D NMR resonances as a function of time. We use the solutions to extract a polymer diffusivity at each temperature and estimate the per-segment desorption free energy, enthalpy, and entropy. Random and systematic errors are examined to test key assumptions in the theory and interpretation of the experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Electron-electron interactions in low-dimensional Si:P delta layers

Scientists have long studied the physics of highly disordered conducting systems, seeking to understand the multitude of quantum phenomena that govern how electrons move through material systems. Recently, research into silicon-based quantum computing has made disordered conducting systems, such as Si:P monolayers embedded in isotopically pure Si, technically relevant. Consequently, applying and advancing the theoretical frameworks developed to describe electron behavior in disordered systems is a necessary objective in this field of research. This study investigates key components of dopant-based Si quantum computing devices: embedded regions of highly doped delta layers (δ layers). We examine the transport behavior and the electron-electron interaction (EEI) physics in embedded Si:P δ layers by means of self-consistent magnetotransport measurements. Parameters associated with the electronic transport offer a meaningful quantitative characterization of δ-layer quality and dopant diffusion. In addition, by examining EEI behaviors in a set of samples with embedded Si:P δ layers produced with different PH3 exposure procedures prior to Si encapsulation, we show how details of material synthesis affect the dimensionality of charge carrier interactions in embedded Si:P δ layers. Furthermore, the relationship between δ-layer confinement and EEI screening lengths is established here. This understanding will help validate important models used for device simulation and design and lead to improvements in the control of electrostatic gating of and tunneling transport through Si:P single atom transistors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1978

Turbulent convection within rapidly rotating superadiabatic fluids with horizontal temperature gradients

A model is developed for small scale thermally driven turbulent convection in rapidly rotating systems. The Boussinesq equations of adiabatic and inviscid flow are perturbed about a basic state which is superadiabatic and which contains a horizontal temperature gradient balanced by a geostrophic wind. The growth rates and length scales of the most unstable modes are determined. It is found that these modes are either zonally or latitudinally symmetric, depending on the latitude and the horizontal temperature gradient. The transports of heat and momentum by the modes are computed. The linear amplitudes are assumed to be limited by shear instability. The model predicts a latitude dependent eddy diffusivity. The applicability of the model to astrophysical and planetary bodies is briefly discussed.

Flasar, F. M.↗

NASA NTRS1982

A simple finite difference procedure for the vortex controlled diffuser

A simple prediction procedure for sudden expansion incompressible flows is developed and applied to the vortex controlled diffuser. Transient Navier-Stokes equations of an incompressible fluid are solved by means of their associated finite difference equations in terms of the primitive pressure velocity variables. A computer code is developed using a laminar flow simulation with free slip or no slip wall boundary conditions. In addition, predicted results confirm that effectiveness increases with increases in duct length and bleed flow rate

Busnaina, A. A.↗

NASA NTRS1955

Analysis of turbulent heat transfer, mass transfer, and friction in smooth tubes at high Prandtl and Schmidt numbers

The expression for eddy diffusivity from a previous analysis was modified in order to account for the effect of kinematic viscosity on the turbulence in the region close to a wall. By using the modified expression, good agreement was obtained between predicted and experimental results for heat and mass transfer at Prandtl and Schmidt numbers between 0.5 and 3000. The effects of length-to-diameter ratio and of variable viscosity were also investigated for a wide range of Prandtl numbers.

Deissler, Robert G↗

NASA NTRS1983

Passive remote sensing of ocean optical propagation parameters

A method is described for producing a global data of ocean optical properties through the exploitation of optical remote sensing techniques. The diffuse attenuation, K, and the radiance reflectance factor R sub L, of the ocean surface waters can be derived from the radiance data provided by the Coastal Zone Color Scanner and compiled into a computer based atlas of these properties. While these remotely sensed values can only be directly related to the water properties in the first or upper attenuation length, extensive in water measurements have demonstrated that a useful correlation exists between the K that applies to the upper attenuation length, for example, and the mean K over the upper 100 or 200 meters of the ocean. Such an empirical finding greatly enhances the usefulness of this remotely sensed propagation parameter. Examples of the type of information being produced and archived for the atlas are presented.

Austin, R. W.↗

NASA NTRS2001

Combustion of Metals in Carbon Dioxide and Reduced-Gravity Environments

Ongoing exploration and future mission2001110444 s to Mars have given impetus to research on the use of natural resources of the planet. Since carbon dioxide (CO2) constitutes approximately 95% of the Mars atmosphere and since it reacts directly and vigorously with several metals, this investigation focuses on metal-CO2 reactions as a possible combination for rocket-propellant production and energy generation. Magnesium (Mg) has been initially selected as the metal fuel owing to its low ignition temperature and high specific impulse and burning rate in CO2. Our studies in this field started with low gravity (g) combustion tests of Mg in O2, CO2, and CO. Reduced gravity provided a clear picture of the burning phenomena by eliminating the intrusive buoyant flows in high-temperature metal reactions and by removing the destructive effect of gravity on the shape of molten metal samples. Suspended cylindrical metal samples of 2, 3, and 4-mm in diameter and length were radiatively ignited in low-g to generate free-floating samples exhibiting a spherically symmetric flame with increasing metal-oxide accumulation in an outer shell. For the Mg-CO2 combination, burning times twice as long as in normal-g and five times longer than in Mg-O2 flames were observed, revealing a diffusion-controlled reaction. The burning time is proportional to the square of the sample diameter. In tests conducted with pure CO, combustion was not possible without constant heating of the sample due to the formation of a thick carbon-containing coating around the Mg sample generated by surface reactions. The following work presents two new studies that attempt to explain some of the low-g experimental observations. First, a simplified one-dimensional, quasi-steady numerical model is developed to obtain temperature, species concentrations, and burning rates of the spherically symmetric diffusion flame around the Mg sample burning in O2 and CO2. Second, a Planar Laser Induced Fluorescence (PLIF) technique is implemented to provide spatially resolved measurements of magnesium oxide (MgO) in the reaction zone of Mg samples burning in O2 and CO2. These experiments reveal fundamental differences between the two combustion systems.

Branch, M. C.↗

NASA NTRS2002

Effective Gravitational Temperature in Sedimentation

Particle Image Velocimetry (PIV) is used to study the slow settling motions of spheres in suspensions ranging from dilute to highly concentrated, 0.0001 less than phi less than 0.50. During sedimentation, particle velocity fluctuations are found to be organized into regions of characteristic size xi approx. parallel to (alpha)phi(sup -1/3). A simple model, based upon buoyant mass fluctuations (Delta)m given by random density fluctuations in a region of size xi, accurately predicts the magnitudes of the velocity fluctuations (Delta)V. We also find a new universal relation for particle diffusion during sedimentation. It can be written in a Stokes-Einstein form as D approx. (Delta m g xi)/(6pi eta xi), where the effective temperature Delta m g xi is the gravitational potential energy of density fluctuations. In addition related experiments examining inertial effects and transient states, that are aimed at uncovering the origin of the new length-scale xi, will also be given.

Segre, Philip N.↗

DOE OSTI2021

Size-Dependent Electrical Transport Properties in Conducting Diamond Nanostripes

With the advances in nanofabrication technology, horizontally aligned and well-defined nitrogen-doped ultrananocrystalline diamond nanostripes can be fabricated with widths in the order of tens of nanometers. The study of the size-dependent electron transport properties of these nanostructures is crucial to novel electronic and electrochemical applications. In this paper, 100 nm thick n-type ultrananocrystalline diamond thin films were synthesized by microwave plasma-enhanced chemical vapor deposition method with 5% N2 gas in the plasma during the growth process. Then the nanostripes were fabricated using standard electron beam lithography and reactive ion etching techniques. The electrical transport properties of the free-standing single nanostripes of different widths from 75 to 150 nm and lengths from 1 to 128 μm were investigated. The study showed that the electrical resistivity of the n-type ultrananocrystalline diamond nanostripes increased dramatically with the decrease in the nanostripe width. The nanostripe resistivity was nearly doubted when the width was reduced from 150 nm to 75 nm. The size-dependent variability in conductivity could originate from the imposed diffusive scattering of the nanostripe surfaces which had a further compounding effect to reinforce the grain boundary scattering.

Zhou, Andrew F. (ORCID:0000000243050409)↗

NASA NTRS1973

Evaluation of an experimental short-length annular combustor: One-side-entry dilution airflow concept

A test program was conducted to evaluate an experimental short-length annular combustor that uses a one-side-entry dilution airflow concept. The combustor design features scoops on the outer liner for controlling the primary- and secondary-zone airflow distribution. Combustor inlet total pressures were limited to 62 N/sq cm (90 psia) with inlet-air temperatures from 590 K (600 F) to 890 K (1150 F). At a diffuser inlet Mach number of 0.25, the exit temperature pattern factor was 0.44 with an average exit temperature of 1436 K (2124 F) and a total pressure loss of 4.3 percent. At a diffuser inlet Mach number of 0.31, the exit temperature pattern factor was reduced to 0.29 with an average exit temperature of 1450 K (2151 F) and a total pressure loss of 6.1 percent. Nominal combustion efficiencies of 100 percent were obtained with the ASTM A-1 fuel. Exhaust gas emissions, smoke, and altitude relight data are included with exit-temperature profiles and distribution patterns.

Humenik, F. M.↗

NASA NTRS1994

Second-order closure PBL model with new third-order moments: Comparison with LES data

This paper contains two parts. In the first part, a new set of diagnostic equations is derived for the third-order moments for a buoyancy-driven flow, by exact inversion of the prognostic equations for the third-order moment equations in the stationary case. The third-order moments exhibit a universal structure: they all are a linear combination of the derivatives of all the second-order moments, bar-w(exp 2), bar-w theta, bar-theta(exp 2), and bar-q(exp 2). Each term of the sum contains a turbulent diffusivity D(sub t), which also exhibits a universal structure of the form D(sub t) = a nu(sub t) + b bar-w theta. Since the sign of the convective flux changes depending on stable or unstable stratification, D(sub t) varies according to the type of stratification. Here nu(sub t) approximately equal to wl (l is a mixing length and w is an rms velocity) represents the 'mechanical' part, while the 'buoyancy' part is represented by the convective flux bar-w theta. The quantities a and b are functions of the variable N(sub tau)(exp 2), where N(exp 2) = g alpha derivative of Theta with respect to z and tau is the turbulence time scale. The new expressions for the third-order moments generalize those of Zeman and Lumley, which were subsequently adopted by Sun and Ogura, Chen and Cotton, and Finger and Schmidt in their treatments of the convective boundary layer. In the second part, the new expressions for the third-order moments are used to solve the ensemble average equations describing a purely convective boundary laye r heated from below at a constant rate. The computed second- and third-order moments are then compared with the corresponding Large Eddy Simulation (LES) results, most of which are obtained by running a new LES code, and part of which are taken from published results. The ensemble average results compare favorably with the LES data.

Canuto, V. M.↗

DOE OSTI2024

Effect of stoichiometry and hydration level on water domain size and transport in poly(aryl piperidinium) alkaline anion-exchange membranes

Alkaline water electrolysis holds promise in decarbonizing the global economy by enabling renewable hydrogen production with non-precious group metal catalysts. Anion exchange membranes are an important component of alkaline water electrolyzers and would ideally be durable while allowing for high hydroxide conductivity. The poly(aryl piperidinium) (PAP) class of polymers has attracted recent interest due to their good mechanical robustness and high ionic conductivity. Here, in this work, we perform atomistic molecular dynamics (MD) simulations of several PAP polymers at experimentally relevant hydration levels and polymer ion exchange capacities (IECs) to gain nanoscale insight into their properties and to help elucidate the trade-offs that result from tuning the IECs through the polymer stoichiometry. Our MD-predicted macroscopic polymer properties were found to be in good agreement with experimentally available polymer swelling ratios, water-occupied volumes, X-ray scattering, and ionic conductivities. The models show that for hydration levels greater than 8H 2 O per cation a single water cluster will form that percolates through the system. The growth in water cluster size results in large polymer swelling, the creation of larger channels with widths of 7 Å or larger, and nanophase separation between the hydrophilic domains and the polymer with characteristic length scales of approximately 20–30 Å. The experimentally observed lack of a strong X-ray scattering peak at low wavevectors can be explained by a cancellation between the polymer-polymer/water-water and polymer-water correlations and not a loss in nanophase separation. The overlap in coordination environments of the hydroxide oxygen and polymer nitrogen atoms implies that vehicular diffusion between cationic groups could play a role in hydroxide transport. The polymers' hydroxide and water diffusion constants increase by approximately an order of magnitude between hydration levels of 8 and 20H 2 O per cation. However, there are diminishing returns in hydroxide diffusion constant once the IEC exceeds 2.4 meq/g.

08 HYDROGEN↗

NASA NTRS1981

Mixing of a passive scalar in isotropic and sheared homogeneous turbulence

In order to calculate the velocity and scalar fields, the three dimensional, time-dependent equations of motion and the diffusion equation were solved numerically. The following cases were treated: isotropic, homogeneous turbulence with decay of a passive scalar; and homogeneous turbulent shear flow with a passive scalar whose mean varies linearly in the spanwise direction. The solutions were obtained at relatively low Reynolds numbers so that all of the turbulent scales could be resolved without modeling. Turbulent statistics such as integral length scales, Taylor microscales, Kolmogorov length scale, one- and two-point correlations of velocity-velocity and velocity-scalar, turbulent Prandtl/Schmidt number, r.m.s. values of velocities, the scalar quantity and pressure, skewness, decay rates, and decay exponents were calculated. The results are compared with the available expermental results, and good agreement is obtained.

Shirani, E.↗

NASA NTRS1994

Stochastic reacceleration of cosmic rays in the interstellar medium

The effects of reacceleration on cosmic rays have been studied over a wide charge and energy range using a model of reacceleration by the interstellar turbulence. We take into account only inevitable stochastic reacceleration of cosmic rays by the random hydrodynamic waves, which supposedly exist in the interstellar medium and provide a means for cosmic-ray scattering and spatial diffusion in the Galaxy. Our calculations reproduce not only the B/C ratio but also the H and He data over the entire energy range where the measurements are available. However, the sub-Fe to Fe ratio is not fitted as well as the B/C ratio, and the reacceleration effect does not seem to remove the need for truncation of short path lengths, which is apparently required by the standard leaky box model. This work demonstrates that the cosmic-ray data can be represented at least as well by a reacceleration model with a simple rigidity power-law escape length, which agrees with the Kolmogorov-type spectrum of hydromagnetic turbulence, as they can by the standard leaky box model with its ad hoc escape lengths.

Seo, E. S.↗

DOE OSTI2026

Substrate-Mediated Evaporation and Stochastic Evolution of Supported Au Nanoparticles

Here, we use in situ transmission electron microscopy with automated tracking to study supported gold nanoparticles (NPs) during high-temperature vacuum annealing. The average mass loss per NP is governed by a flat, nearly size-independent substrate-mediated evaporation profile. On top of this mean shrinkage, individual NPs show significant fluctuations in apparent growth or shrinkage, and NP volume follows a random-walk-like trajectory. To rationalize both the ensemble-mean behavior and the particle-resolved variability, we develop a self-consistent theory that couples substrate-mediated evaporation to collective 2D Ostwald-type mass exchange through a shared adatom field, described in terms of a renormalized screening length and background concentration. In the experimentally relevant regime, the theory predicts an approximately size-independent mean shrinkage rate and clarifies how net mass loss suppresses classical coarsening. Superimposed on this deterministic drift, we quantify stochastic volume trajectories and capture their fluctuation spectrum with a minimal Langevin description consistent with intermittent adatom attachment and detachment events. In addition, we characterize the lateral diffusive motion of NPs, which is responsible for their coalescence. Altogether, our results highlight that stochasticity is intrinsic at the nanoscale and that predicting the evolution of supported NPs at early and intermediate times requires a unified framework combining substrate-mediated evaporation, collective mass exchange, and stochastic fluctuations.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2021

Persistent and partially mobile oxygen vacancies in Li-rich layered oxides

Increasing the energy density of layered oxide battery electrodes is challenging as accessing high states of delithiation often triggers voltage degradation and oxygen release. Here we utilize transmission-based X-ray absorption spectromicroscopy and ptychography on mechanically cross-sectioned Li 1.18–x Ni 0.21 Mn 0.53 Co 0.08 O 2–δ electrodes to quantitatively profile the oxygen deficiency over cycling at the nanoscale. The oxygen deficiency penetrates into the bulk of individual primary particles (~200 nm) and is well-described by oxygen vacancy diffusion. Using an array of characterization techniques, we demonstrate that, surprisingly, bulk oxygen vacancies that persist within the native layered phase are indeed responsible for the observed spectroscopic changes. We additionally show that the arrangement of primary particles within secondary particles (~5 μm) causes considerable heterogeneity in the extent of oxygen release between primary particles. Finally, our work merges an ensemble of length-spanning characterization methods and informs promising approaches to mitigate the deleterious effects of oxygen release in lithium-ion battery electrodes.

25 ENERGY STORAGE↗

NASA NTRS1972

Development of a short length combustor for a supersonic cruise turbofan engine using a 90 deg sector of a full annulus

A performance development program has been conducted on a short length, double-annular, ram-induction combustor. The combustor was designed for a large augmented turbofan engine capable of sustained flight speeds up to Mach 3.0. Performance tests were conducted at an inlet temperature and Mach number simulating engine sea level takeoff conditions. At the design temperature rise of 1600 F, combustion efficiency was 100%, pattern factor was 0.20, and combined diffuser-combustor pressure loss was 4.4% or 1.12 times the diffuser inlet velocity head. A temperature rise in excess of 2400 F with a combustion efficiency of 94% was demonstrated.

Clements, T. R.↗