Search NASA⌕ Search

SEARCH · Search NASA

Results for “diffusion processes”

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.

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

At least 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Effect of LID (Registered) processing on the microstructure and mechanical properties of Ti-6Al-4V and Ti-6Al-2Sn-4Zr-2Mo titanium foil-gauge materials

A study was undertaken to determine the mechanical properties and microstructures resulting from Liquid Interface Diffusion (LID -Registered) processing of foil-gauge specimens of Ti-6Al-4V and Ti-6Al-2Sn-4Zr-2Mo coated with varying amounts of LID material. In addition, the effects of various elevated temperature exposures on the concentration profiles of the LID alloying elements were investigated, using specimens with a narrow strip of LID material applied to the surface. Room and elevated temperature tensile properties were determined for both coated and uncoated specimens. Optical microscopy was used to examine alloy microstructures, and scanning electron microscopy to examine fracture surface morphologies. The chemical concentration profiles of the strip-coated specimens were determined with an electron microprobe.

Balckburn, Linda B.↗
NASA NTRS1992

Activated transport in AMTEC electrodes

Transport of alkali, metal atoms through porous cathodes of alkali metal thermal-to-electric converter (AMTEC) cells is responsible for significant reducible losses in the electrical performance of these cells. Experimental evidence for activated transport of metal atoms at grain surfaces and boundaries within some AMTEC electrodes has been derived from temperature dependent studies as well as from analysis of the detailed frequency dependence of ac impedance results for other electrodes, including thin, mature molybdenum electrodes which exhibit transport dominated by free molecular flow of sodium gas at low frequencies or dc conditions. Activated surface transport will almost always exist in parallel with free molecular flow transport, and the process of alkali atom adsorption/desorption from the electrode surface will invariably be part of the transport process, and possibly a dominant part in some cases. The temperature dependence of the diffusion coefficient of the alkali metal through the electrode in several cases provides an activation energy and preexponential, but at least two activated processes may be operative, and the activation parameters should be expected to depend on the alkali metal activity gradient that the electrode experiences. In the case of Pt/W/Mn electrodes operated for 2500 hours, limiting currents varied with electrode thickness, and the activation parameters could be assigned primarily to the surface/grain boundary diffusion process.

Williams, R. M.↗
NASA NTRS1995

Radiant extinction of gaseous diffusion flames

The absence of buoyancy-induced flows in microgravity significantly alters the fundamentals of many combustion processes. Substantial differences between normal-gravity and microgravity flames have been reported during droplet combustion, flame spread over solids, candle flames, and others. These differences are more basic than just in the visible flame shape. Longer residence time and higher concentration of combustion products create a thermochemical environment which changes the flame chemistry. Processes such as flame radiation, that are often ignored under normal gravity, become very important and sometimes even controlling. This is particularly true for conditions at extinction of a microgravity diffusion flame. Under normal-gravity, the buoyant flow, which may be characterized by the strain rate, assists the diffusion process to transport the fuel and oxidizer to the combustion zone and remove the hot combustion products from it. These are essential functions for the survival of the flame which needs fuel and oxidizer. Thus, as the strain rate is increased, the diffusion flame which is 'weak' (reduced burning rate per unit flame area) at low strain rates is initially 'strengthened' and eventually it may be 'blown-out'. Most of the previous research on diffusion flame extinction has been conducted at the high strain rate 'blow-off' limit. The literature substantially lacks information on low strain rate, radiation-induced, extinction of diffusion flames. At the low strain rates encountered in microgravity, flame radiation is enhanced due to: (1) build-up of combustion products in the flame zone which increases the gas radiation, and (2) low strain rates provide sufficient residence time for substantial amounts of soot to form which further increases the flame radiation. It is expected that this radiative heat loss will extinguish the already 'weak' diffusion flame under certain conditions. Identifying these conditions (ambient atmosphere, fuel flow rate, fuel type, etc.) is important for spacecraft fire safety. Thus, the objective is to experimentally and theoretically investigate the radiation-induced extinction of diffusion flames in microgravity and determine the effect of flame radiation on the 'weak' microgravity diffusion flame.

Atreya, Arvind↗
DOE OSTI2018

Mathematical Modeling of Decarburization in Levitated Fe-Cr-C Droplets

Using carbon dioxide to replace oxygen as an alternative oxidant gas has proven to be a viable solution in the decarburization process, with potential for industrial applications. In a recent study, the transport phenomena governing the carbon dioxide decarburization process through the use of electromagnetic levitation (EML) was examined. CO{sub 2}/CO mass transfer was found to be the principal reaction rate control step, as a result gas diffusion has gained significant attention. In the present study, gas diffusion during decarburization process was investigated using computational fluid dynamics (CFD) modeling coupled with chemical reactions. The resulting model was verified through experimental data in a published paper, and employed to provide insights on phenomena typically unobservable through experiments. Based on the results, a new correction of the Frössling equation was presented which better represents the mass transfer phenomena at the metal-gas interface within the range of this research.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A transformed path integral approach for solution of the Fokker–Planck equation

A novel path integral (PI) based method for solution of the Fokker–Planck equation is presented. The proposed method, termed the transformed path integral (TPI) method, utilizes a new formulation for the underlying short-time propagator to perform the evolution of the probability density function (PDF) in a transformed computational domain where a more accurate representation of the PDF can be ensured. The new formulation, based on a dynamic transformation of the original state space with the statistics of the PDF as parameters, preserves the non-negativity of the PDF and incorporates short-time properties of the underlying stochastic process. New update equations for the state PDF in a transformed space and the parameters of the transformation (including mean and covariance) that better accommodate nonlinearities in drift and non-Gaussian behavior in distributions are proposed (based on properties of the SDE). Owing to the choice of transformation considered, the proposed method maps a fixed grid in transformed space to a dynamically adaptive grid in the original state space. The TPI method, in contrast to conventional methods such as Monte Carlo simulations and fixed grid approaches, is able to better represent the distributions (especially the tail information) and better address challenges in processes with large diffusion, large drift and large concentration of PDF. Additionally, in the proposed TPI method, error bounds on the probability in the computational domain can be obtained using the Chebyshev's inequality. The benefits of the TPI method over conventional methods are illustrated through simulations of linear and nonlinear drift processes in one-dimensional and multidimensional state spaces. The effects of spatial and temporal grid resolutions as well as that of the diffusion coefficient on the error in the PDF are also characterized.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Identification of Species from Visible and Near-Infrared Spectral Emission of a Nitromethane-Air Diffusion Flame

The combustion processes of nitromethane, an explosive used in many combustion applications, are not fully captured in current state-of-the-art nitromethane kinetic schemes. There is a need for data on transient species to further improve understanding of nitromethane chemistry and dynamics. This work aims to identify transient species present during nitromethane-air combustion through characterization of the spectral emission of a flame stabilized on an aluminum oxide wick at atmospheric pressure. Assignments were made using a spectral library assembled from prior literature and through comparison with spectra taken in two additional air-diffusion flames, CD 3 NO 2 and CH 3 OH. Several new emitters were detected in excited electronic states: HNO*(A’), CN* (A 2 Σ), NO 2 *, and in ground electronic states: CH, OH, NH, and H 2 O. The previously observed reaction species CH*(A 2 Δ) was also observed, while formaldehyde and the characteristic C 2 *(A 3 Π g ) Swan bands were not.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Identification of Species from Visible and Near-Infrared Spectral Emission of a Nitromethane-Air Diffusion Flame

The combustion processes of nitromethane, an explosive used in many combustion applications, are not fully captured in current state-of-the-art nitromethane kinetic schemes. There is a need for data on transient species to further improve understanding of nitromethane chemistry and dynamics. This work aims to identify transient species present during nitromethane-air combustion through characterization of the spectral emission of a flame stabilized on an aluminum oxide wick at atmospheric pressure. Assignments were made using a spectral library assembled from prior literature and through comparison with spectra taken in two additional air-diffusion flames, CD 3 NO 2 and CH 3 OH. Several new emitters were detected in excited electronic states: HNO*(A’), CN* (A 2 Σ), NO 2 *, and in ground electronic states: CH, OH, NH, and H 2 O. The previously observed reaction species CH*(A 2 Δ) was also observed, while formaldehyde and the characteristic C 2 *(A 3 Π g ) swan bands were not.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

The speed of wave-wave interactions in the atmosphere

Resonant wave-wave interactions are considered. Studies of the interaction coefficient show that rapid transfer of wave action can take place in the disjoined parts of the spectrum for three processes, namely: elastic scattering, parametric subharmonic instability and induced diffusion. Of the three processes, the vertical shear plays a role in two. The vertical shear of a moderate scale interacts through elastic scattering to make the spectrum vertically symmetric. On the other hand, the vertical shear of a large scale interacts through induced diffusion and is responsible for diffusion in k sub z space. When interacting with a vertical shear, it is known that the vertical shear acts as a catalyst and is not involved in energy transfer. Consequently, in both elastic scattering and induced diffusion, the vertical shear does not gain or lose energy. Through parametric subharmonic instability the more energetic large-scale waves are feeding energy into moderate and small scale waves of an elevation angle of 60 deg or larger.

Yeh, K. C.↗
DOE OSTI2021

Dynamics of molecular associates in methanol/water mixtures

The dynamics of molecular associates in a methanol/water mixture was investigated using quasielastic neutron scattering. By measuring the signal from four methanol/water samples differing only by their isotopic composition, the relative motion of the water to methanol molecules, i.e. their mutual dynamics, was determined at the nanoscale. The thus obtained nanoscopic mutual diffusion coefficient signals a significantly slower process than the single particle diffusion of either methanol or water in the system as well as their macroscopic mutual diffusion. The data do not provide any indication of microsegregation in this preeminent alcohol/water mixture; however, they do indicate the existence of long lived but dynamic molecular associates of water and methanol molecules. Our analysis of the structural relaxation shows that the lifetime of molecular association through hydrogen bonding determines the fact that viscosity of the mixtures at intermediate concentrations is higher than that of both pure components.

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

Aggregation-fragmentation-diffusion model for trail dynamics

We investigate statistical properties of trails formed by a random process incorporating aggregation, fragmentation, and diffusion. In this stochastic process, which takes place in one spatial dimension, two neighboring trails may combine to form a larger one, and also one trail may split into two. In addition, trails move diffusively. The model is defined by two parameters which quantify the fragmentation rate and the fragment size. In the long-time limit, the system reaches a steady state, and our focus is the limiting distribution of trail weights. We find that the density of trail weight has power-law tail P(w)~w –γ for small weight w. We obtain the exponent γ analytically and find that it varies continuously with the two model parameters. In conclusion, the exponent γ can be positive or negative, so that in one range of parameters small-weight trails are abundant and in the complementary range they are rare.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

A Guideline to Mitigate Interfacial Degradation Processes in Solid‐State Batteries Caused by Cross Diffusion

Abstract Diffusion of transition metals across the cathode–electrolyte interface is identified as a key challenge for the practical realization of solid‐state batteries. This is related to the formation of highly resistive interphases impeding the charge transport across the materials. Herein, the hypothesis that formation of interphases is associated with the incorporation of Co into the Li 7 La 3 Zr 2 O 12 lattice representing the starting point of a cascade of degradation processes is investigated. It is shown that Co incorporates into the garnet structure preferably four‐fold coordinated as Co 2+ or Co 3+ depending on oxygen fugacity. The solubility limit of Co is determined to be around 0.16 per formula unit, whereby concentrations beyond this limit causes a cubic‐to‐tetragonal phase transition. Moreover, the temperature‐dependent Co diffusion coefficient is determined, for example, D 700 °C = 9.46 × 10 −14 cm 2 s −1 and an activation energy E a = 1.65 eV, suggesting that detrimental cross diffusion will take place at any relevant process condition. Additionally, the optimal protective Al 2 O 3 coating thickness for relevant temperatures is studied, which allows to create a process diagram to mitigate any degradation with a minimum compromise on electrochemical performance. This study provides a tool to optimize processing conditions toward developing high energy density solid‐state batteries.

Chemistry↗
DOE OSTI2021

Impact of Photon Recycling, Grain Boundaries, and Nonlinear Recombination on Energy Transport in Semiconductors

Energy carrier transport and recombination in semiconductors can be directly monitored with optical microscopy, revealing key insights into fundamental photophysics and informs efficient optoelectronic device design. Oftentimes, energy transport is measured by monitoring a time-resolved expanding carrier profile after optical excitation under a focused laser beam. Although this approach has gained widespread adoption, the presence of competing dynamic processes, such as diffusion and photon recycling, has made it difficult to accurately extract and understand important semiconductor properties. Here, we develop and apply a new framework for modeling energy transport in both excitonic and free carrier semiconductors. Here, we demonstrate that processes such as nonlinear recombination and photon recycling can have a significant impact on the apparent energy carrier profiles, especially for excitonic materials with short radiative lifetimes. Additionally, we find that film microstructure can lead to unique transport profiles that strongly depends on material boundary behavior and the difference between feature size and diffusion length. Here, these findings provide a deeper understanding of energy transport in semiconducting materials and provide new strategies for the design and optimization of electronic and optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Unraveling Interdiffusion Phenomena and the Role of Nanoscale Diffusion Barriers in the Copper–Gold System

Diffusion is one of the most fundamental concepts in materials science, playing a pivotal role in materials synthesis, forming, and degradation. Of particular importance is solid state interdiffusion of metals which defines the usable parameter space for material combinations in the form of alloys. This parameter space can be explored on the macroscopic scale by using diffusion couples. However, this method reaches its limit when going to low temperatures, small scales, and when testing ultrathin diffusion barriers. Therefore, this work transfers the principle of the diffusion couples to small scales by using core–shell nanowires and in situ heating. This allows us to delve into the interdiffusion dynamics of copper and gold, revealing the interplay between diffusion and the disorder–order phase transition. Our in situ TEM experiments in combination with chemical mapping reveal the interdiffusion coefficients of Cu and Au at low temperatures and highlight the impact of ordering processes on the diffusion behavior. The formation of ordered domains within the solid-solution is examined using high-resolution imaging and nanodiffraction including strain mapping. In addition, we examine the effectiveness of ultrathin Al 2 O 3 barrier layers to control interdiffusion of the diffusion couple. Our findings indicate that a 5 nm thick layer serves as an efficient diffusion barrier. Furthermore, this research provides valuable insights into the interdiffusion behavior of Cu and Au on the nanoscale, offering potential applications in the development of miniaturized integrated circuits and nanodevices.

alloys↗
NASA NTRS1997

Laminar Soot Processes

Soot processes within hydrocarbon-fueled flames affect particle emissions from combustion processes, thermal loads of combustor components, hazards of unwanted fires, and capabilities for computational combustion. Thus, soot processes within laminar nonpremixed (diffusion) and premixed flames are being studied, using both space-based (flight) experiments at MicroGravity (MG) and supporting ground-based experiments at Normal Gravity (NG). The study is limited to laminar flames due to their experimental and computational tractability, noting the relevance of these results to practical turbulent flames based on laminar flamelet concepts. Unfortunately, buoyancy affects soot processes in laminar diffusion flames while effects of buoyancy are small for most practical flames; therefore, present observations of laminar diffusion flames involve either particular flame conditions where effects of buoyancy are small during ground-based experiments at ng or truly nonbuoyant flames during planned flight experiments at mg. Laminar premixed flames are also being considered during ground-based experiments at ng because soot processes are easier to interpret and less affected by buoyancy in laminar premixed flames than in laminar diffusion flames.

Xu, F.↗
NASA NTRS2013

Kinetic Monte Carlo Simulation of Cation Diffusion in Low-K Ceramics

Low thermal conductivity (low-K) ceramic materials are of interest to the aerospace community for use as the thermal barrier component of coating systems for turbine engine components. In particular, zirconia-based materials exhibit both low thermal conductivity and structural stability at high temperature, making them suitable for such applications. Because creep is one of the potential failure modes, and because diffusion is a mechanism by which creep takes place, we have performed computer simulations of cation diffusion in a variety of zirconia-based low-K materials. The kinetic Monte Carlo simulation method is an alternative to the more widely known molecular dynamics (MD) method. It is designed to study "infrequent-event" processes, such as diffusion, for which MD simulation can be highly inefficient. We describe the results of kinetic Monte Carlo computer simulations of cation diffusion in several zirconia-based materials, specifically, zirconia doped with Y, Gd, Nb and Yb. Diffusion paths are identified, and migration energy barriers are obtained from density functional calculations and from the literature. We present results on the temperature dependence of the diffusivity, and on the effects of the presence of oxygen vacancies in cation diffusion barrier complexes as well.

Good, Brian↗
NASA NTRS2019

Energetic Particles of Cosmic Accelerators II: Active Galactic Nuclei and Gamma-ray Bursts

The high-energy universe has revealed that energetic particles are ubiquitous in the cosmos and play a vital role in the cultivation of cosmic environments on all scales. Our pursuit of more than a century to uncover the origins and fate of these cosmic energetic particles has given rise to some of the most interesting and challenging questions in astrophysics. Within our own galaxy, we have seen that energetic particles engage in a complex interplay with the galactic environment and even drive many of its key characteristics (for more information, see the first white paper in this series). On cosmological scales, the energetic particles supplied by the jets of active galactic nuclei (AGN) are an important source of energy for the intracluster and intergalactic media, providing a mechanism for regulating star formation and black hole growth and cultivating galaxy evolution (AGN feedback). Gamma-ray burst (GRB) afterglows encode information about their circumburst environment, which has implications for massive stellar winds during previous epochs over the stellar lifecycle. As such, GRB afterglows provide a means for studying very high-redshift galaxies since GRBs can be detected even if their host galaxy cannot. It has even been suggest that GRB could be used to measure cosmological distance scales if they could be shown to be standard candles. Though they play a key role in cultivating the cosmological environment and/or enabling our studies of it, there is still much we do not know about AGNs and GRBs, particularly the avenue in which and through which they supply radiation and energetic particles, namely their jets. Despite the enormous progress in particle-in-cell and magnetohydrodynamic simulations, we have yet to pinpoint the processes involved in jet formation and collimation and the conditions under which they can occur. For that matter, we have yet to identify the mechanism(s) through which the jet accelerates energetic particles – is it the commonly invoked diffusive shock acceleration process or is another mechanism, such as magnetic reconnection, required? Do AGNs and GRBs accelerate hadrons, and if so, do they accelerate them to ultra-high energies and are there high-energy neutrinos associated with them? MeV gamma-ray astronomy, enabled by technological advances that will be realized in the coming decade, will provide a unique and indispensable perspective on the persistent mysteries of the energetic universe. This White Paper is the second of a two-part series highlighting the most well-known high-energy cosmic accelerators and contributions that MeV gamma-ray astronomy will bring to understanding their energetic particle phenomena. Specifically, MeV astronomy will: 1. Determine whether AGNs accelerate CRs to ultra-high energies; 2. Provide the missing pieces for the physics of the GRB prompt emission; 3. Measure magnetization in cosmic accelerators and search for acceleration via reconnection.

Venters, Tonia M.↗
NASA NTRS1994

Convection in the Physical Vapor Transport Process: Thermal - 1

The effects of convection on diffusive-convective physical vapor transport process are examined computationally. We analyze conditions ranging from typical laboratory conditions to conditions achievable only in a low gravity environment. This corresponds to thermal Rayleigh numbers Ra(sub tau) ranging from 1.80 x 10 to 1.92 x 10(exp 6). Our results indicate that the effect of the sublimation and condensation fluxes at the boundaries is to increase the threshold of instability. For typical ground based conditions, time dependent oscillatory convection can occur. This results in unsteady transport, and non-uniform temperature and concentration gradients at the crystal interface. Spectral analysis of the flow field shows parametric regions exhibiting both an oscillatory approach to steady state and a chaotic transient to a periodic state. Low gravity conditions stabilize the flow field. Convective effects are effectively reduced, thus resulting in uniform temperature and concentration gradients at the interface, a desirable condition for crystal growth.

Duval, Walter M. B.↗