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Results for “effective diffusivity”

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At least 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

A new class of solutions for interstellar magnetohydrodynamic shock waves

An analysis is presented of the equations of motion for steady MHD shock waves proopagating in interstellar clouds, for boundary conditions that preclude C shocks. In addition to J shocks, in which the neutral fluid component becomes subsonic at an adiabatic jump front, the equations admit a new class of solutions, called C-asterisk shocks, in which the transition to subsonic flow occurs continuously at a sonic point. Numerical methods are developed for computing the structure of J and C-asterisk shocks propagating in diffuse interstellar clouds. The effects of chemical, ionization, and recombination processes are included in this treatment. An alternative numerical method, which uses artificial viscosity to facilitate integration through sonic points, is analyzed and shown to be invalid. A set of exemplary solutions, computed for realistic shock parameters, shows that C-asterisk shocks occur for a broad range of conditions relevant to diffuse interstellar clouds.

Roberge, W. G.↗
DOE OSTI2020

The Effect of Proton Conductivity of Fe–N–C–Based Cathode on PEM Fuel cell Performance

A model–based impedance spectroscopy is used to determine proton conductivity, oxygen transport parameter, double layer capacitance and oxygen reduction reaction (ORR) Tafel slope in the Fe–N–C cathode catalyst layer (CCL) of a PEM fuel cell. Experimental spectra of two cells differing by the membrane thickness only are processed using a physics–based model for PEMFC impedance. The spectra have been measured in the range of current densities from 25 to 800 mA cm -2 . The ORR Tafel slope of both the cells shows almost linear growth with the current density. In one of the cells, the CCL proton conductivity σp strongly decays at the current density of 100 mA cm -2 ; this decay is accompanied by the step growth of the double layer capacitance. Other minor variations of proton conductivity and double layer capacitance with the cell current occur also in a counterphase; presumed origin of this effect is discussed. The oxygen diffusion coefficient in the cathode exhibits explosive growth with the cell current. We attribute this effect to formation of temperature and pressure gradients in the CCL due to strongly non–uniform distribution of ORR rate in the electrode.

25 ENERGY STORAGE↗
NASA NTRS1979

Theoretical study of VTOL tilt-nacelle axisymmetric inlet geometries

A systematic theoretical study of VTOL tilt-nacelle inlet design parameters is reported. The parameters considered are internal-lip contraction ratio, internal-lip major-to-minor axis ratio, diffuser-exit-area to throat-area ratio, maximum diffuser wall angle and shape. Each of the inlets was analyzed at the same given flow condition of free-stream velocity, angle between the free stream and centerline of the inlet, and diffuser-exit Mach number. The effects of these geometric parameters on surface static-pressure distribution, peak surface Mach number, diffusion velocity ratio, and tendency for the inlet flow to separate are presented.

Hawk, J. D.↗
DOE OSTI2026

Single-Molecule Tracking Measurements Reveal the Detailed Mechanisms of Molecular Diffusion in Solvent Mixtures under Nanoconfinement

Understanding mass transport mechanisms in nanopores is important for developing advanced materials for chemical separations, chemical sensing, and energy storage. This paper reports a novel imaging platform that is employed for the first time to investigate the detailed diffusion dynamics of single rhodamine B (RhB) dye molecules confined within solution-filled cylindrical anodic aluminum oxide (AAO) nanopores. The imaging platform relies on illumination of horizontally-oriented AAO nanopores in a highly inclined and laminated optical (HILO) light sheet microscopy geometry. The method was used to investigate the translational and orientational dynamics of single rhodamine B (RhB) molecules within horizontally-oriented 5- and 10-nm diameter AAO nanopores filled with water–ethanol mixtures. The established platform enabled the observation of one-dimensional motion along the pore axis involving occasional short- or long-term immobilization at the single-molecule level. Analysis of cumulative squared-displacement distributions revealed fast (5 – 30 µm²/s), intermediate (1 – 5 µm²/s), and slow (< 1 µm²/s) diffusion components. From the effects of mixture composition and pore size on the contributions of these three components, we inferred that the fast, intermediate, and slow components could be assigned to desorption-mediated hopping, crawling, and wiggling motions, respectively. The platform based on the horizontally-oriented AAO nanopores also permitted single-molecule emission polarization measurements that revealed the negligible steric confinement of individual diffusing RhB molecules within the AAO nanopores. The imaging platform based on AAO membranes and HILO microscopy provided a unique means to investigate how solvation-mediated surface interactions and nanoconfinement govern molecular transport in nanoporous environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Advances in Studies of Electrode Kinetics and Mass Transport in AMTEC Cells (abstract)

Previous work reported from JPL has included characterization of electrode kinetics and alkali atom transport from electrodes including Mo, W, WRh(sub x), WPt(sub x)(Mn), in sodium AMTEC cells and vapor exposure cells, and Mo in potassium vapor exposure cells. These studies were generally performed in cells with small area electrodes (about 1 to 5 cm(sup 2)), and device geometry had little effect on transport. Alkali diffusion coefficients through these electrodes have been characterized, and approximate surface diffusion coefficients derived in cases of activated transport. A basic model of electrode kinetic at the alkali metal vapor/porous metal electrode/alkali beta'-alumina solid electrolyte three phase boundary has been proposed which accounts for electrochemical reaction rates with a collision frequency near the three phase boundary and tunneling from the porous electrode partially covered with adsorbed alkali metal atoms. The small electrode effect in AMTEC cells has been discussed in several papers, but quantitative investigations have described only the overall effect and the important contribution of electrolyte resistance. The quantitative characterization of transport losses in cells with large area electrodes has been limited to simulations of large area electrode effects, or characterization of transport losses from large area electrodes with significant longitudinal temperature gradients. This paper describes new investigations of electrochemical kinetics and transport, particularily with WPt(sub 3.5) electrodes, including the influence of electrode size on the mass transport loss in the AMTEC cell. These electrodes possess excellent sodium transport properties making verification of device limitations on transport much more readily attained.

electrode kinetics alkali atom transport transport↗
NASA NTRS1990

Estimation of minority carrier diffusion lengths in InP/GaAs solar cells

Minority carrier diffusion length is one of the most important parameters affecting the solar cell performance. An attempt is made to estimate the minority carrier diffusion lengths is the emitter and base of InP/GaAs heteroepitaxial solar cells. The PC-1D computer model was used to simulate the experimental cell results measured at NASA Lewis under AMO (air mass zero) spectrum at 25 C. A 16 nm hole diffusion length in the emitter and a 0.42 micron electron diffusion length in the base gave very good agreement with the I-V curve. The effect of varying minority carrier diffusion lengths on cell short current, open circuit voltage, and efficiency was studied. It is also observed that the front surface recombination velocity has very little influence on the cell performance. The poor output of heteroepitaxial cells is caused primarily by the large number of dislocations generated at the interfaces that propagate through the bulk indium phosphide layers. Cell efficiency as a function of dislocation density was calculated and the effect of improved emitter bulk properties on cell efficiency is presented. It is found that cells with over 16 percent efficiencies should be possible, provided the dislocation density is below 10(exp 6)/sq cm.

Jain, R. K.↗
DOE OSTI2017

Nonequilibrium Synthesis of Highly Porous Single-Crystalline Oxide Nanostructures

A novel synthesis route to the formation of vertically aligned single–crystalline oxide nanostructures is found by precisely controlling the nonequilibrium pulsed laser deposition process. Here, the columnar nanostructures with deep crevices offering a large surface area are generated owing to the diffusion limited geometric shadowing effect.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Capacitive response of biological membranes

We present a minimal model to analyze the capacitive response of a biological membrane subjected to a step voltage via blocking electrodes. Through a perturbative analysis of the underlying electrolyte transport equations, we show that the leading-order relaxation of the transmembrane potential is governed by a capacitive timescale, τ_{C}=λ_{D}L/D(2+Γδ^{M}/L/4+Γδ^{M}/λ_{D}), where λ_{D} is the Debye screening length, L is the electrolyte width, Γ is the ratio of the permittivity of the electrolyte to the membrane, δ^{M} is the membrane thickness, and D is the ionic diffusivity. This timescale is considerably shorter than the traditional RC timescale λ_{D}L/D for a bare electrolyte due to the membrane's low permittivity and finite thickness. Beyond the linear regime, however, salt diffusion in the bulk electrolyte drives a secondary, nonlinear relaxation process of the transmembrane potential over a longer timescale τ_{L}=L^{2}/4π^{2}D. A simple equivalent-circuit model accurately captures the linear behavior, and the perturbation expansion remains applicable across the entire range of observed physiological transmembrane potentials. Together, these findings underscore the importance of the faster capacitive timescale and nonlinear effects on the bulk diffusion timescale in determining transmembrane potential dynamics for a range of biological systems.

Farhadi, Jafar↗
NASA NTRS1974

A time-dependent diffusion convection model for the long term modulation of cosmic rays

A model is developed which incorporates to first order the direct effects of the time dependent diffusive propagation of interstellar cosmic rays in a slowly changing interplanetary medium. The model provides a physical explanation for observed rigidity-dependent phase lags in modulated spectra (cosmic ray hysteresis). The average distance to the modulating boundary during the last solar cycle is estimated.

Gallagher, J. J.↗
DOE OSTI2021

All-Atom Molecular Dynamics Simulations of the Temperature Response of Densely Grafted Polyelectrolyte Brushes

Water acts a “good” solvent for most polyelectrolyte (PE) systems due to its high dielectric strength. Theoretical and experimental studies have highlighted some remarkably unconventional properties of strongly water-swollen PE brushes such as a reduction in brush height with increase in temperature. However, an understanding of the atomistic-scale response of the grafted PE chains as well as the local arrangement and organization of the brush-supported counterions and water molecules to changes in temperature is missing. Here, we conduct an all-atom molecular dynamics (MD) study to probe the influence of temperature on the “microstructure” of densely grafted, fully ionized polyacrylic acid (PAA) brushes. The atomistic insights obtained from our study shed light on prior experimental observations and elucidate the key role played by changes in hydrogen bonding network in dictating the hydrophilicity of the brushes. In addition to the temperature-mediated reduction in height of the PE brush layer, we study the influence of temperature on several properties of the brush-supported water molecules such as the number distribution and kinetics of water-water and water-PE hydrogen bonds (HBs), mass density, orientational tetrahedral order parameter, and the activation energy associated with the self-diffusion of water. The effect of temperature on the properties of the brush-trapped counterions is also quantified via changes in their solvation structure, counterion-water radial distribution function (RDF), and the translational mobility. Our findings unravel several hitherto unknown phenomena such as the enhanced propensity for attaining PE brush-induced “water-in-salt”-like scenarios at elevated temperatures, and an increase in the activation energy for the self-diffusion of water with increase in the degree of PE brush-induced nanoconfinement (from ‘bulk water’ to ‘sparsely grafted PE brushes’ to ‘densely grafted PE brushes’). Further, we anticipate that this work will be helpful in improving our predictive capabilities of the temperature response of water-swollen PE brushes, which would be instrumental for better design of several PE brush systems used in a multitude of applications.

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

Water sub-diffusion in membranes for fuel cells

We investigate the dynamics of water confined in soft ionic nano-assemblies, an issue critical for a general understanding of the multi-scale structure-function interplay in advanced materials. We focus in particular on hydrated perfluoro-sulfonic acid compounds employed as electrolytes in fuel cells. These materials form phase-separated morphologies that show outstanding proton-conducting properties, directly related to the state and dynamics of the absorbed water. We have quantified water motion and ion transport by combining Quasi Elastic Neutron Scattering, Pulsed Field Gradient Nuclear Magnetic Resonance, and Molecular Dynamics computer simulation. Effective water and ion diffusion coefficients have been determined together with their variation upon hydration at the relevant atomic, nanoscopic and macroscopic scales, providing a complete picture of transport. We demonstrate that confinement at the nanoscale and direct interaction with the charged interfaces produce anomalous sub-diffusion, due to a heterogeneous space-dependent dynamics within the ionic nanochannels. This is irrespective of the details of the chemistry of the hydrophobic confining matrix, confirming the statistical significance of our conclusions. Our findings turn out to indicate interesting connections and possibilities of crossfertilization with other domains, including biophysics. They also establish fruitful correspondences with advanced topics in statistical mechanics, resulting in new possibilities for the analysis of Neutron scattering data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Maximizing Ion Transmission in Differential Mobility Spectrometry

We provide modeling and experimental data describing the dominant ion-loss mechanisms for differential mobility spectrometry (DMS). Ion motion is considered from the inlet region of the mobility analyzer to the DMS exit, and losses resulting from diffusion to electrode surfaces, insufficient effective gap, ion fragmentation, and fringing field effects are considered for a commercial DMS system with 1-mm gap height. It is shown that losses due to diffusion and radial oscillations can be minimized with careful consideration of residence time, electrode spacing, gas flow rate, and waveform frequency. Fragmentation effects can be minimized by limitation of the separation field. When these parameters were optimized, fringing field effects at the DMS inlet contributed the most to signal reduction. We also describe a new DMS cell configuration that improves the gas dynamics at the mobility cell inlet. The new cell provides a gas jet that decreases the residence time for ions within the fringing field region, resulting in at least twofold increase in ion signal as determined by experimental data and simulations. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1978

Properties of the stratospheric aerosol layer studied with a one-dimensional computer model

Aerosol particle effects are often neglected in theoretical studies of stratospheric phenomena. In reality, the particulate matter normally found above the tropopause may influence the terrestrial radiation balance, catalyze heterogeneous chemical interactions, and serve as a tracer of atmospheric motions. The paper proposes a one-dimensional model of the stratospheric aerosol layer, and it is used to compare aerosol theory with observational data. The model considers gaseous sulfur photochemistry and the physical aerosol processes of nucleation, coagulation, sedimentation, and diffusion. Calculations of the effects on the aerosol layer of stratospheric injections of aluminum oxide particles by Space Shuttle engines and of sulfur dioxide molecules by volcanic activity are performed. The relation between measured aerosol variability and changes in stratospheric air temperatures and vertical transport rates are discussed.

Turco, R. P.↗
DOE OSTI2018

The isotope effect for Mg-Fe interdiffusion in olivine and its dependence on crystal orientation, composition and temperature

Isotopic fractionation associated with diffusion in crystals is the most reliable means of understanding the origin of mineral zoning in igneous and metamorphic rocks. We have experimentally determined the relative diffusivities of iron isotopes in olivine as a function of crystallographic orientation, composition, and temperature. For two isotopes i and j of an element, the isotope effect for diffusion is parameterized as D i /D j = (m j /m i ) β , where β is a dimensionless parameter, and D and m stand for diffusivity and mass, respectively. A series of single crystal diffusion couple experiments were conducted at an oxygen fugacity of QFM – 1.5 at temperatures of 1200, 1300, and 1400 °C. Here, for the Fo 83.4 -Fo 88.8 composition pair, β Fe is isotropic and a value of 0.16 ± 0.09 can be used to describe diffusion along all major crystallographic axes in olivine. Based on our experiments and previously reported coupled Mg-Fe isotopic data, we also estimate β Mg = 0.09 ± 0.05 for this range of olivine composition. For the Fo 88.8 -Fo100 composition pair, β Fe becomes anisotropic with β Fe [100] = 0.11 ± 0.03, β Fe [010 ] = 0.14 ± 0.03 (both within error of the value measured for the Fo83.4-Fo88.8 pair), and β Fe [001] = 0.03 ± 0.03. For Fo# between 83.4 and 100, β Fe [100] and β Fe [010] are thus independent of composition. The reason why βFe [001] transitions from ~0.16 to ~0.03 close to the Mg-endmember is unclear. Over the temperature range studied, a dependence of βFe on temperature was not resolved. General analytical expressions are introduced to calculate isotopic fractionation as a function of distance, time, β, and the concentration contrast between the diffusing media for spherical, cylindrical, and planar geometries.

36 MATERIALS SCIENCE↗
NASA NTRS2000

Effects of G-Jitter on Interfacial Dynamics of Two Miscible Liquids: Application of MIM

We designed an experiment to examine the effects of g-jitter on mixing of two miscible liquids using the Microgravity Vibration Isolation Mount (MIM). The global bifurcation of the interface was observed with the MIM operating alternatively to either transmit the g-jitter, isolate from the g-jitter or to provide controlled vibration levels with well defined amplitude and frequency content. With the MIM in isolation mode, the interface remains stationary indicating buoyancy induced convection is negligibly small such that mixing occurs via intrinsic mass diffusion without the masking effect of vibration driven convection. Analytical and computational results are in agreement with the experimental findings. Operation of the MIM in forced mode with conditions typical of g-jitter shows that vibration induced convective flows can excite instability mechanisms such as Kelvin-Helmholtz to generate large amplitude quasi-stationary waves oriented vertically for various cases with Stokes-Reynolds number in the range of 0.003 to 0.5. The two and four mode quasi-stationary waves are also predicted with a mathematical model. Though unplanned, the effect of a primary thruster filing was captured and shown to cause a catastrophic bifurcation, enhancing local mass transport. In light of the findings, experiments planned for the International Space Station should consider the potential effects of g-jitter.

Duval, Walter M. B.↗
NASA NTRS1996

A Comprehensive Analysis of the Physical Properties of Advanced GaAs/AlGaAs Junctions

Extensive studies have been performed on MQW junctions and structures because of their potential applications as avalanche photodetectors in optical communications and imaging systems. The role of the avalanche photodiode is to provide for the conversion of an optical signal into charge. Knowledge of junction physics, and the various carrier generation/recombination mechanisms, is crucial for effectively optimizing the conversion process and increasing the structure's quantum efficiency. In addition, the recent interest in the use of APDs in imaging systems has necessitated the development of semiconductor junctions with low dark currents and high gains for low light applications. Because of the high frame rate and high pixel density requirements in new imaging applications, it is necessary to provide some front-end gain in the imager to allow operation under reasonable light conditions. Understanding the electron/hole impact ionization process, as well as diffusion and surface leakage effects, is needed to help maintain low dark currents and high gains for such applications. In addition, the APD must be capable of operating with low power, and low noise. Knowledge of the effects of various doping configurations and electric field profiles, as well as the excess noise resulting from the avalanche process, are needed to help maintain low operating bias and minimize the noise output.

Menkara, Hicham M.↗
DOE OSTI2019

Role of Solvation on Diffusion of Ions in Diblock Copolymers: Understanding the Molecular Weight Effect through Modeling

Salt-doped diblock copolymers with microphase-separated domains of both an ion conductive and a mechanically strong polymer have been extensively studied due to their potential in transport applications. Several unusual or counterintuitive trends regarding their transport properties have been observed experimentally, such as increasing ion conduction as a function of molecular weight. A vital feature of these systems is the strong solvation of ions in the conducting microphase due to its higher dielectric constant. Herein, we perform molecular dynamics simulations using a coarse-grained model that includes a 1/r 4 potential form to generically represent ion solvation, allowing us to reproduce experimentally observed trends and explore their molecular underpinnings. We find that increasing ion concentration can increase or decrease ion diffusion, depending on solvation strength. We further show that the trend of increasing diffusion with molecular weight becomes more dramatic as ions are solvated in one polymer block more strongly or as the ion-ion interactions get stronger. In contrast to expectations, the interfacial width or the overlap of ions with the nonconductive polymer block do not adequately explain this phenomenon; instead, local ion agglomeration best explains reduced diffusion. Interfacial sharpening, controlled by the Flory chi parameter and molecular weight, tends to allow ions to spread more uniformly, and this increases their diffusion.

36 MATERIALS SCIENCE↗
NASA NTRS1990

A turbulent two-phase flow model for nebula flows

A new and very efficient turbulent two-phase flow numericaly model is described to analyze the environment of a protoplanetary nebula at a stage prior to the formation of planets. Focus is on settling processes of dust particles in flattened gaseous nebulae. The model employs a perturbation technique to improve the accuracy of the numerical simulations of such flows where small variations of physical quantities occur over large distance ranges. The particles are allowed to be diffused by gas turbulence in addition to settling under gravity. Their diffusion coefficients is related to the gas turbulent viscosity by the non-dimensional Schmidt number. The gas turbulent viscosity is determined by the means of the eddy viscosity hypothesis that assumes the Reynolds stress tensor proportional to the mean strain rate tensor. Zero- and two-equation turbulence models are employed. Modeling assumptions are detailed and discussed. The numerical model is shown to reproduce an existing analytical solution for the settling process of particles in an inviscid nebula. Results of nebula flows are presented taking into account turbulence effects of nebula flows. Diffusion processes are found to control the settling of particles.

Champney, Joelle M.↗