SEARCH · Search NASA

Results for “diffusion length”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 739 records · Page 41

All sources NASA NTRS DOE OSTI

DOE OSTI2017

Acceleration of diffusive molecular dynamics simulations through mean field approximation and subcycling time integration

Highlights: • Two numerical methods are presented to accelerate DMD simulations. • The methods greatly reduce the computation time without much loss of accuracy. • The accelerated DMD model is capable of simulating long-term mass transport at atomistic length scales. • Demonstrated for the propagation of an atomically sharp phase boundary over 30 seconds. - Abstract: Diffusive Molecular Dynamics (DMD) is a class of recently developed computational models for the simulation of long-term diffusive mass transport at atomistic length scales. Compared to previous atomistic models, e.g., transition state theory based accelerated molecular dynamics, DMD allows the use of larger time-step sizes, but has a higher computational complexity at each time-step due to the need to solve a nonlinear optimization problem at every time-step. This paper presents two numerical methods to accelerate DMD based simulations. First, we show that when a many-body potential function, e.g., embedded atom method (EAM), is employed, the cost of DMD is dominated by the computation of the mean of the potential function and its derivatives, which are high-dimensional random variables. To reduce the cost, we explore both first- and second-order mean field approximations. Specifically, we show that the first-order approximation, which uses a point estimate to calculate the mean, can reduce the cost by two to three orders of magnitude, but may introduce relatively large error in the solution. We show that adding an approximate second-order correction term can significantly reduce the error without much increase in computational cost. Second, we show that DMD can be significantly accelerated through subcycling time integration, as the cost of integrating the empirical diffusion equation is much lower than that of the optimization solver. To assess the DMD model and the numerical approximation methods, we present two groups of numerical experiments that simulate the diffusion of hydrogen in palladium nanoparticles. In particular, we show that the computational framework is capable of capturing the propagation of an atomically sharp phase boundary over a time window of more than 30 seconds. The effects of the proposed numerical methods on solution accuracy and computation time are also assessed quantitatively.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Design Rules for Tailoring Antireflection Properties of Hierarchical Optical Structures

Hierarchical structures consisting of small sub-wavelength features stacked atop larger structures have been demonstrated as an effective means of reducing the reflectance of surfaces. However, optical devices require different antireflective properties depending on the application, and general unifying guidelines on hierarchical structures' design to attain a desired antireflection spectral response are still lacking. The type of reflectivity (diffuse, specular, or total/hemispherical) and its angular- and spectral-dependence are all dictated by the structural parameters. Through computational and experimental studies, guidelines have been devised to modify these various aspects of reflectivity across the solar spectrum by proper selection of the features of hierarchical structures. In this wavelength regime, micrometer-scale substructures dictate the long-wavelength spectral response and effectively reduce specular reflectance, whereas nanometer-scale substructures dictate primarily the visible wavelength spectral response and reduce diffuse reflectance. Coupling structures having these two length scales into hierarchical arrays impressively reduces surfaces' hemispherical reflectance across a broad spectrum of wavelengths and angles. Furthermore, such hierarchical structures in silicon are demonstrated having an average total reflectance across the solar spectrum of 1.1% (average weighted reflectance of 1% in the 280–2500 nm range of the AM 1.5 G spectrum) and specular reflectance <1% even at angles of incidence as high as 67°.

14 SOLAR ENERGY↗

DOE OSTI2017

A {sup 13}CO Detection in a Brightest Cluster Galaxy

We present ALMA Cycle 4 observations of CO(1-0), CO(3-2), and {sup 13}CO(3-2) line emission in the brightest cluster galaxy (BCG) of RXJ0821+0752. This is one of the first detections of {sup 13}CO line emission in a galaxy cluster. Half of the CO(3-2) line emission originates from two clumps of molecular gas that are spatially offset from the galactic center. These clumps are surrounded by diffuse emission that extends 8 kpc in length. The detected {sup 13}CO emission is confined entirely to the two bright clumps, with any emission outside of this region lying below our detection threshold. Two distinct velocity components with similar integrated fluxes are detected in the {sup 12}CO spectra. The narrower component (60 km s{sup −1} FWHM) is consistent in both velocity centroid and linewidth with {sup 13}CO(3-2) emission, while the broader (130–160 km s{sup −1}), slightly blueshifted wing has no associated {sup 13}CO(3-2) emission. A simple local thermodynamic model indicates that the {sup 13}CO emission traces 2.1 × 10{sup 9} M {sub ⊙} of molecular gas. Isolating the {sup 12}CO velocity component that accompanies the {sup 13}CO emission yields a CO-to-H{sub 2} conversion factor of α {sub CO} = 2.3 M {sub ⊙} (K km s{sup −1}){sup −1}, which is a factor of two lower than the Galactic value. Adopting the Galactic CO-to-H{sub 2} conversion factor in BCGs may therefore overestimate their molecular gas masses by a factor of two. This is within the object-to-object scatter from extragalactic sources, so calibrations in a larger sample of clusters are necessary in order to confirm a sub-Galactic conversion factor.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1978

Automatic phase control in solar power satellite systems

Various approaches to the problem of generating, maintaining and distributing a coherent, reference phase signal over a large area are suggested, mathematically modeled and analyzed with respect to their ability to minimize: phase build-up, beam diffusion and beam steering phase jitter, cable length, and maximize power transfer efficiency. In addition, phase control configurations are suggested which alleviate the need for layout symmetry.

Lindsey, W. C.↗

NASA NTRS1986

A three dimensional model of the Venusian thermosphere with superrotation

An improved three dimensional spectral model of the thermosphere of Venus is described. The model solves the Navier-Stokes equations and includes nonlinear effects for an arbitrary number of atmospheric species. A two dimensional axisymmetric model of the superrotation of the thermosphere is also presented. This model addresses the Pioneer-Venus mission finding, which suggested the thermospheric rotation rate to be much higher than that of the planet as seen from the asymmetric distribution of hydrogen and helium. Both models include the effects of an anisotropic eddy diffusion that is consistent with atmospheric mixing length theory.

Stevens-Rayburn, D. R.↗

NASA NTRS1987

The delineation and interpretation of the Earth's gravity field

The geoid and topographic fields of the central Pacific were delineated and shown to correlate closely at intermediate wavelengths (500 to 2500 km). The associated admittance shows that anomalies having wavelengths less than about 1000 km are probably supported by the elastic strength of the lithosphere. Larger wavelength anomalies are due to dynamic effects in the sublithosphere. Direct modeling of small scale convection in the asthenosphere shows that the amplitudes of observed geoid and topographic anomalies can be independently matched, but that the observed admittance cannot. Only by imposing an initial regional variation in the thermal regime is it possible to match the admittance. It is proposed that this variation may be due to differences in the onset time of convection beneath the lithosphere of different ages. That is, convection beneath thickening lithosphere is strongly dependent on the rate of thickening (V) relative to the rise time for convection. The critical Rayleigh number contains the length scale K/V, where K is thermal diffusivity. Young, fast growing lithosphere stabilizes the underlying asthenosphere unless it has an unusually low viscosity. Lithosphere of different age, separated by fracture zones, will go unstable at different times, producing regional horizontal temperature gradient that may strongly influence convection. Laboratory and numerical experiments are proposed to study this form of convection and its influence on the geoid.

Marsh, Bruce D.↗

NASA NTRS1987

A computational study of thrust augmenting ejectors based on a viscous-inviscid approach

A viscous-inviscid interaction technique is advocated as both an efficient and accurate means of predicting the performance of two-dimensional thrust augmenting ejectors. The flow field is subdivided into a viscous region that contains the turbulent jet and an inviscid region that contains the ambient fluid drawn into the device. The inviscid region is computed with a higher-order panel method, while an integral method is used for the description of the viscous part. The strong viscous-inviscid interaction present within the ejector is simulated in an iterative process where the two regions influence each other en route to a converged solution. The model is applied to a variety of parametric and optimization studies involving ejectors having either one or two primary jets. The effects of nozzle placement, inlet and diffuser shape, free stream speed, and ejector length are investigated. The inlet shape for single jet ejectors is optimized for various free stream speeds and Reynolds numbers. Optimal nozzle tilt and location are identified for various dual-ejector configurations.

Lund, Thomas S.↗

NASA NTRS1992

The platinum microelectrode/Nafion interface - An electrochemical impedance spectroscopic analysis of oxygen reduction kinetics and Nafion characteristics

The objectives of this study were to use electrochemical impedance spectroscopy (EIS) to study the oxygen-reduction reaction under lower humidification conditions than previously studied. The EIS technique permits the discrimination of electrode kinetics of oxygen reduction, mass transport of O2 in the membrane, and the electrical characteristics of the membrane. Electrode-kinetic parameters for the oxygen-reduction reaction, corrosion current densities for Pt, and double-layer capacitances were calculated. The production of water due to electrochemical reduction of oxygen greatly influenced the EIS response and the electrode kinetics at the Pt/Nafion interface. From the finite-length Warburg behavior, a measure of the diffusion coefficient of oxygen in Nafion and diffusion-layer thickness was obtained. An analysis of the EIS data in the high-frequency domain yielded membrane and interfacial characteristics such as ionic conductivity of the membrane, membrane grain-boundary capacitance and resistance, and uncompensated resistance.

Parthasarathy, Arvind↗

NASA NTRS2016

Magnetospheric Multiscale Observations of Magnetic Reconnection Associated with Kelvin-Helmholtz Waves

The four Magnetospheric Multiscale (MMS) spacecraft recorded the first direct evidence of reconnection exhausts associated with Kelvln-Helmholtz (KH) waves at the duskside magnetopause on 8 September 2015 which allows for local mass and energy transport across the flank magnetopause. Pressure anisotropy-weighted Walen analyses confirmed in-plane exhausts across 22 of 42 KH-related trailing magnetopause current sheets (CSs). Twenty-one jets were observed by all spacecraft, with small variations in ion velocity, along the same sunward or antisunward direction with nearly equal probability. One exhaust was only observed by the MMS-1,2 pair, while MMS-3,4 traversed a narrow CS (1.5 ion inertial length) in the vicinity of an electron diffusion region. The exhausts were locally 2-D planar in nature as MMS-1, 2 observed almost identical signatures separated along the guide-field. Asymmetric magnetic and electric Hall fields are reported in agreement with a strong guide-field and a weak plasma density asymmetry across the magnetopause CS.

Eriksson, S.↗

NASA NTRS1972

Transport properties of gases and binary liquids near the critical point

A status report is presented on the anomalies observed in the behavior of transport properties near the critical point of gases and binary liquids. The shear viscosity exhibits a weak singularity near the critical point. An analysis is made of the experimental data for those transport properties, thermal conductivity and thermal diffusivity near the gas-liquid critical point and binary diffusion coefficient near the critical mixing point, that determine the critical slowing down of the thermodynamic fluctuations in the order parameter. The asymptotic behavior of the thermal conductivity appears to be closely related to the asymptotic behavior of the correlation length. The experimental data for the thermal conductivity and diffusivity are shown to be in substantial agreement with current theoretical predictions.

Sengers, J. V.↗

NASA NTRS1991

On the transport and acceleration of solar flare particles in a coronal loop

The turbulent environment of a flaring solar coronal loop directly affects the population of particles to be accelerated or already accelerated. Under the assumption of a uniform turbulent MHD wave field within the loop, the behavior of a particle distribution as it interacts with the turbulence is discussed, including particle precipitation to the footpoints of the loop and the evolution of the energy distribution as the particles undergo second-order stochastic acceleration. Two cases are discussed in detail: (1) particles spatially diffusing within the loop and precipitating with minimal acceleration in the short time scale of an impulsive event and (2) particles diffusing in both real and momentum space in a long duration event. Collisional losses due to ambient electrons are included. The gamma-ray flare of June 3, 1982 is modeled, and good agreement is obtained between predicted and observed time profiles if the loop length is 100,000 km with an intrinsic spatial diffusion time of 100-450 s. It follows that the production of high-energy neutrons and pi mesons extends over a time scale of 1000 s as observed.

Ryan, James M.↗

NASA NTRS1987

Simulation of the electron acoustic instability for a finite-size electron beam system

Simulations of the electron acoustic instability for a finite-size electron beam system are performed with a particle-in-cell code to investigate the heating phenomena associated with the instability and the width of the heating region. The results show that the beam radiates electrostatic electron acoustic waves whose decay time outside the beam agrees with the spatial decay length derived from the linear dispersion equation. The ambient cold electrons in a diffusion region surrounding the beam are heated to a higher temperature by absorbing the radiated electron acoustic waves, with the heating occurring mainly in the parallel direction. In the heat diffusion region, the temperature of the cold electrons decreases with distance from the beam with a temperature gradient length smaller than the decay length of the wave energy. The results are discussed with respect to the DE 1 plasma and wave observations in the polar cusp region.

Lin, C. S.↗

DOE OSTI2019

Nanoparticle diffusion in sheared cellular blood flow

Using a multiscale blood flow solver, the complete diffusion tensor of nanoparticles (NPs) in sheared cellular blood flow is calculated over a wide range of shear rate and haematocrit. In the short-time regime, NPs exhibit anomalous dispersive behaviors under high shear and high haematocrit due to the transient elongation and alignment of the red blood cells (RBCs). In the long-time regime, the NP diffusion tensor features high anisotropy. Particularly, there exists a critical shear rate ( ${\sim}100~\text{s}^{-1}$ ) around which the shear-rate dependence of the diffusivity tensor changes from linear to nonlinear scale. Above the critical shear rate, the cross-stream diffusivity terms vary sublinearly with shear rate, while the longitudinal term varies superlinearly. The dependence on haematocrit is linear in general except at high shear rates, where a sublinear scale is found for the vorticity term and a quadratic scale for the longitudinal term. Through analysis of the suspension microstructure and numerical experiments, the nonlinear haemorheological dependence of the NP diffusion tensor is attributed to the streamwise elongation and cross-stream contraction of RBCs under high shear, quantified by a capillary number. The RBC size is shown to be the characteristic length scale affecting the RBC-enhanced shear-induced diffusion (RESID), while the NP submicrometre size exhibits negligible influence on the RESID. Based on the observed scaling behaviours, empirical correlations are proposed to bridge the NP diffusion tensor to specific shear rate and haematocrit. As a result, the characterized NP diffusion tensor provides a constitutive relation that can lead to more effective continuum models to tackle large-scale NP biotransport applications.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Molecular engineering of fluoroether electrolytes for lithium metal batteries

Fluoroether solvents are promising electrolyte candidates for high-energy-density lithium metal batteries, where high ionic conductivity and oxidative stability are important metrics for design of new systems. Recent experiments have shown that these performance metrics, particularly stability, can be tuned by changing the fraction of ether and fluorine content. However, little is known about how different molecular architectures influence the underlying ion transport mechanisms and conductivity. Here, we use all-atom molecular dynamics simulations to elucidate the ion transport and solvation characteristics of fluoroether chains of varying length, and having different ether segment and fluorine terminal group contents. The design rules that emerge from this effort are that solvent size determines lithium-ion transport kinetics, solvation structure, and solvation energy. In particular, the mechanism for lithium-ion transport is found to shift from ion hopping between solvation sites located in different fluoroether chains in short-chain solvents, to ion–solvent co-diffusion in long-chain solvents, indicating that an optimum exists for molecules of intermediate length, where hopping is possible but solvent diffusion is fast. Consistent with these findings, our experimental measurements reveal a non-monotonic behavior of the effects of solvent size on lithium-ion conductivity, with a maximum occurring for medium-length solvent chains. Finally, a key design principle for achieving high ionic conductivity is that a trade-off is required between relying on shorter fluoroether chains having high self-diffusivity, and relying on longer chains that increase the stability of local solvation shells.

25 ENERGY STORAGE↗

DOE OSTI2024

Oxide dissolution and oxygen diffusion scenarios in niobium and implications on the Bean–Livingston barrier in superconducting cavities

We generalize a native Nb2O5 dissolution model [G. Ciovati, Appl. Phys. Lett. 89, 022507 (2006)] to sequential overlayer dissolutions, multilayer dissolution, and realistic temperature profiles, which may be applicable to other materials. The model is applied to secondary ion mass spectrometry depth profile measurements for varying temperature profiles and two-step oxide dissolution in Nb and found to agree well. In the context of the Meissner screening response due to impurity profiles on the length scale of the London penetration depth, the shallow diffusion of O impurities results in a substantial decrease in the peak supercurrent density near the surface. In this framework, oxide dissolution and oxygen diffusion can account for a rise in peak supportable magnetic field in SRF cavities with baking time and a suppression after the optimal baking time is reached, in good agreement with peak-field baking temperatures and times as well as recent quench field measurements.

Lechner, Eric↗

DOE OSTI2024

Oxide dissolution and oxygen diffusion scenarios in niobium and implications on the Bean–Livingston barrier in superconducting cavities

We generalize a native Nb 2 O 5 dissolution model [G. Ciovati, Appl. Phys. Lett. 89, 022507 (2006)] to sequential overlayer dissolutions, multilayer dissolution, and realistic temperature profiles, which may be applicable to other materials. The model is applied to secondary ion mass spectrometry depth profile measurements for varying temperature profiles and two-step oxide dissolution in Nb and found to agree well. In the context of the Meissner screening response due to impurity profiles on the length scale of the London penetration depth, the shallow diffusion of O impurities results in a substantial decrease in the peak supercurrent density near the surface. In this framework, oxide dissolution and oxygen diffusion can account for a rise in peak supportable magnetic field in SRF cavities with baking time and a suppression after the optimal baking time is reached, in good agreement with peak-field baking temperatures and times as well as recent quench field measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1981

Experimental determination of the effects of moisture on composite-to-composite adhesive joints

The primary mode of moisture ingress into bonded composite joints is determined using a nuclear probe for deuterium (NPD) to measure the localized D2O content along the length of the adhesive (FM-300 and EA-9601) and through the thickness of bonded composite speciments. Calculated diffusivities and NPD measured equilibrium moisture contents are used to predict the moisture profiles along the length of the adhesives as a function of exposure time, temperature, and relative humidity. These results are compared with the observed moisture profiles to evaluate the extent of enhanced edge diffusion. The FM-300 adhesive exhibits good agreement between measured and predicted profiles at 49 C, 70% and 90% RH, and 77 C, 70% RH. At 77 C, 90% RH, the measured moisture content near the adhesive edge is substantially larger than the predicted level. The EA-9601 adhesive also shows good agreement at 49 C, 70% and 90% RH, but at 77 C, the concentration of D20 near the edges is enhanced at each humidity level. The effect of moisture content on the bond shear strength at room temperature and at elevated temperature is evaluated.

Deiasi, R. J.↗

NASA NTRS1975

Effect of wall suction on performance of a short annular diffuser at inlet Mach numbers up to 0.5

A short annular diffuser equipped with wall bleed (suction)capability was evaluated at inlet Mach numbers of 0.186 to 0.5. The diffuser had an area ratio of 4.0 and a length-to-inlet height ratio of 1.6. Test results show that the exit velocity profiles, typical of annular jet flow without suction, could be considerably flattened by application of wall suction. This improved performance was also reflected in diffuser effectiveness (static-pressure recovery) and total-pressure loss results. At the inlet Mach number of 0.5 diffuser static-pressure recovery is equal to or better than at lower inlet Mach numbers for comparable suction rates.

Juhasz, A. J.↗