Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “effective diffusivity”

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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

The prospects for composites based on boron fibers

The fabrication of boron filaments and the production of composite materials consisting of boron filaments and organic or metallic matrices are discussed. Problem involving the use of tungsten substrates in the filament fabrication process, the protection of boron fibers with diffusion barrier cladings, and the application of alloy additives in the matrix to lessen the effects of diffusion are considered. Data on the kinetics of the boron fiber/matrix interaction at high temperatures, and the influence of the fiber/matrix interaction on the mechanical properties of the composite are presented.

Naslain, R.↗
NASA NTRS1991

Interferometric measurements of a dendritic growth front solutal diffusion layer

An experimental study was undertaken to measure solutal distributions in the diffusion layer produced during the vertical directional solidification (VDS) of an ammonium chloride - water (NH4Cl-H2O) solution. Interferometry was used to obtain concentration measurements in the 1-2 millimeter region defining the diffusion layer. These measurements were fitted to an exponential form to extract the characteristic diffusion parameter for various times after the start of solidification. The diffusion parameters are within the limits predicted by steady state theory and suggest that the effective solutal diffusivity is increasing as solidification progresses.

Hopkins, John A.↗
NASA NTRS2011

Kinetic Monte Carlo Simulation of Oxygen and Cation Diffusion in Yttria-Stabilized Zirconia

Yttria-stabilized zirconia (YSZ) is of interest to the aerospace community, notably for its application as a thermal barrier coating for turbine engine components. In such an application, diffusion of both oxygen ions and cations is of concern. Oxygen diffusion can lead to deterioration of a coated part, and often necessitates an environmental barrier coating. Cation diffusion in YSZ is much slower than oxygen diffusion. However, such diffusion is a mechanism by which creep takes place, potentially affecting the mechanical integrity and phase stability of the coating. In other applications, the high oxygen diffusivity of YSZ is useful, and makes the material of interest for use as a solid-state electrolyte in fuel cells. The kinetic Monte Carlo (kMC) method offers a number of advantages compared with the more widely known molecular dynamics simulation method. In particular, kMC is much more efficient for the study of processes, such as diffusion, that involve infrequent events. We describe the results of kinetic Monte Carlo computer simulations of oxygen and cation diffusion in YSZ. Using diffusive energy barriers from ab initio calculations and from the literature, we present results on the temperature dependence of oxygen and cation diffusivity, and on the dependence of the diffusivities on yttria concentration and oxygen sublattice vacancy concentration. We also present results of the effect on diffusivity of oxygen vacancies in the vicinity of the barrier cations that determine the oxygen diffusion energy barriers.

Good, Brian↗
DOE OSTI2018

Effect of melittin on water diffusion and membrane structure in DMPC lipid bilayers

Quasielastic neutron scattering (QENS) is well suited for studying the dynamics of water in proximity to supported membranes whose structure can be characterized by atomic force microscopy (AFM). Here we use QENS to investigate the effect of an adsorbed peptide (melittin) on water diffusion near a single-supported zwitterionic membrane (DMPC). Measurements of the incoherent elastic neutron intensity as a function of temperature provide evidence of bulk-like water freezing onto the melittin, which AFM images indicate coalesces into peptide-lipid domains as the peptide concentration increases. Analysis of the QENS spectra indicates that, at sufficiently high melittin concentrations, a water component diffusing more slowly than bulk-like water first freezes onto the bound melittin.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Diffusion and Flow of CO{sub 2} in Carbon Anode for Aluminium Smelting

Using a well-made carbon anode with the right porosity characteristics is essential to the successful operation of a Hall–Héroult cell. Bubble generation at this carbon anode and its contribution to the overall voltage drop in aluminum production holds significant potential for reducing overpotential and improving energy savings. This voltage drop is believed to be greatly influenced by the gas diffusion in the anode carbon, for which there are a limited number of measurements to correlate with the carbon anode properties. In the present study, the CO{sub 2} gas diffusion characteristics were first investigated via measuring anode porosity using mercury intrusion porosimetry (MIP) for different samples with different permeability. Second, diffusion experiments were conducted by flowing CO{sub 2} gas into the anode sample at elevated temperatures (up to 960 °C). The impact of temperature, average pore size, and permeability on the diffusion coefficient was investigated. The diffusion coefficient was consequently calculated by curve fitting using diffusion theories. The value obtained varied from 1.38 × 10{sup −6} to 7.89 × 10{sup −6} m{sup 2}/s. A high diffusion coefficient was measured in the carbon sample with larger average pore size and higher permeability. It was found that anomalous diffusion behavior in the temperature range 600 °C to 960 °C was caused by convective flow effects, different diffusion mechanisms, and the Boudouard reaction for these carbon anode samples. Furthermore, by plotting the measured diffusion coefficient against average pore size and permeability, an increasing trend of diffusivity with an increase in pore size and permeability was observed.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Study of diamond film growth and properties

The objective was to study diamond film growth and its properties in order to enhance the laser damage threshold of substrate materials. Calculations were performed to evaluate laser induced thermal stress parameter, R(sub T) of diamond. It is found that diamond has several orders of magnitude higher in value for R(sub T) compared to other materials. Thus, the laser induced damage threshold (LIDT) of diamond is much higher. Diamond films were grown using a microwave plasma enhanced chemical vapor deposition (MPECVD) system at various conditions of gas composition, pressure, temperature, and substrate materials. A 0.5 percent CH4 in H2 at 20 torr were ideal conditions for growing of high quality diamond films on substrates maintained at 900 C. The diamond films were polycrystalline which were characterized by scanning electron microscopy (SEM) and Raman scattering spectroscopy. The top surface of the growing film is always rough due to the facets of polycrystalline film while the back surface of the film replicates the substrate surface. An analytical model based on two dimensional periodic heat flow was developed to calculate the effective in-plane (face parallel) diffusivity of a two layer system. The effective diffusivity of diamond/silicon samples was measured using a laser pulse technique. The thermal conductivity of the films was measured to be 13.5 W/cm K, which is better than that of a type Ia natural diamond. Laser induced damage experiments were performed on bare Si substrates, diamond film coated Si, and diamond film windows. Significant improvements in the LIDT were obtained for diamond film coated Si compared to the bare Si.

Albin, Sacharial↗
DOE OSTI2018

Organic Linker Effect on the Growth and Diffusion of Cu Clusters in a Metal–Organic Framework

One reason that metal nanoparticles encapsulated in metal-organic frameworks are of interest is that confinement effects on the particle size and shape may lead to superior catalytic activity. The interior of a metal–organic framework has the possibility to influence nucleation and aggregation of metal nanoparticles and to strongly affect their in situ shape and electronic properties. We apply density functional theory and ab initio molecular dynamics (AIMD) to model the nucleation and diffusion of Cun (n = 1–19) clusters on the tetratopic 1,3,6,8-(p-benzoate)pyrene (TBAPy 4– ) linkers of NU-1000 frameworks. We find that Cu atoms and Cu clusters are stabilized by the TBAPy linker, especially by the edge site of aromatic rings. The stabilization increases when the Cu cluster interacts with two linkers. We confirmed the most favorable site for Cu cluster adsorption as the window site that connects the c pore and the triangular pore. A Pt atom is found to bind much more strongly than a Cu atom on the TBAPy linker, and AIMD simulations show that this promotes Pt atom diffusion from the center of a Cu 15 cluster to the interface between the linker and the cluster. The strong interaction between a Pt atom and a linker is attributed to the greater metal-to-linker charge transfer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

Genesis Contingency Planning and Mishap Recovery: The Sample Curation View

Planning for sample preservation and curation was part of mission design from the beginning. One of the scientific objectives for Genesis included collecting samples of three regimes of the solar wind in addition to collecting bulk solar wind during the mission. Collectors were fabricated in different thicknesses for each regime of the solar wind and attached to separate frames exposed to the solar wind during specific periods of solar activity associated with each regime. The original plan to determine the solar regime sampled for specific collectors was to identify to which frame the collector was attached. However, the collectors were dislodged during the hard landing making identification by frame attachment impossible. Because regimes were also identified by thickness of the collector, the regime sampled is identified by measuring fragment thickness. A variety of collector materials and thin films applied to substrates were selected and qualified for flight. This diversity provided elemental measurement in more than one material, mitigating effects of diffusion rates and/or radiation damage. It also mitigated against different material and substrate strengths resulting in differing effects of the hard landing. For example, silicon crystal substrates broke into smaller fragments than sapphire-based substrates and diamond surfaces were more resilient to flying debris damage than gold. The primary responsibility of the curation team for recovery was process documentation. Contingency planning for the recovery phase expanded this responsibility to include not only equipment to document, but also gather, contain and identify samples from the landing area and the recovered spacecraft. The team developed contingency plans for various scenarios as part of mission planning that included topographic maps to aid in site recovery and identification of different modes of transport and purge capability depending on damage. A clean tent, set-up at Utah Test & Training Range to control the environment for processing the sample return capsule and cleanly installing a nitrogen purge to the canister, was used to control the environment for extracting collector fragments from the damaged canister and to document and package over 10,000 collector fragments.

Stansbery, E. K.↗
NASA NTRS1979

Characteristics of acoustic-gravity waves in a diffusively separated atmosphere

The effects of wave-induced diffusion on the characteristics of plane acoustic gravity waves in the earth's thermosphere are investigated by means of a two fluid model atmosphere in diffusive equilibrium. At wave periods greater than the shortest characteristic diffusion time for the minor gas, diffusion induced by the wave is considered to act to eliminate amplitude and phase differences between the wave-induced density fluctuations of individual gases and restore the perturbed fluid to diffusive equilibrium. Vertical diffusion is most important at large scale sizes, but horizontal diffusion dominates for horizontal wavelengths of less than several hundred kilometers. As a result of wave-induced diffusion, AE-C satellite measurements of neutral density fluctuations of thermospheric constituents are only compatible with relatively small scale internal gravity waves. Velocity and temperature differences for acoustic-gravity waves are greatest at periods near the mean collision time and diffusion time and lead to the dissipation of wave energy. The predictions of the theory are consistent with a high latitude, low altitude source for the medium scale waves and a more localized random source for the waves observed by AE-C.

Del Genio, A. D.↗
DOE OSTI2025

Towards universal unfolding of detector effects in high-energy physics using denoising diffusion probabilistic models

Correcting for detector effects in experimental data, particularly through unfolding, is critical for enabling precision measurements in high-energy physics. However, traditional unfolding methods face challenges in scalability, flexibility, and dependence on simulations. We introduce a novel approach to multidimensional object-wise unfolding using conditional Denoising Diffusion Probabilistic Models (cDDPM). Our method utilizes the cDDPM for a non-iterative, flexible posterior sampling approach, incorporating distribution moments as conditioning information, which exhibits a strong inductive bias that allows it to generalize to unseen physics processes without explicitly assuming the underlying distribution. Our results highlight the potential of this method as a step towards a "universal" unfolding tool that reduces dependence on truth-level assumptions, while enabling the unfolding of a wide range of measured distributions with improved adaptability and accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Thermal diffusivity determination using heterodyne phase insensitive transient grating spectroscopy

The elastic and thermal transport properties of opaque materials may be measured using transient grating spectroscopy (TGS) by inducing and monitoring periodic excitations in both reflectivity and surface displacement. The “phase grating” response encodes both properties of interest, but complicates quantitative analysis by convolving temperature dynamics with surface displacement dynamics. Hence, thermal transport characteristics are normally determined using the “amplitude grating” response to isolate the surface temperature dynamics. Yet, this signal character requires absolute heterodyne phase calibration and contains no elastic property information. Here, a method is developed by which phase grating TGS measurements may be consistently analyzed to determine thermal diffusivity with no prior knowledge of the expected properties. To demonstrate this ability, the wavelength-dependent 1D effective thermal diffusivity of pure germanium is measured using this type of response and found to be consistent with theoretical predictions made by solving the Boltzmann transport equation. This ability to determine the elastic and thermal properties from a single set of TGS measurements will be particularly advantageous for new in situ implementations of the technique being used to study dynamic materials systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ni coarsening under humid atmosphere in the electrode of solid oxide cells: A combined study of density-functional theory and phase-field modeling

Ni coarsening in solid oxide cell (SOC) electrodes is known to be significantly faster under a humid atmosphere. The underlying mechanisms, though, have not been fully understood. In this work, we examine the surface diffusion of Ni(OH) x by a combination of density-functional theory and phase-field modeling. Here, density-functional theory is used to evaluate the adsorption and diffusion of the Ni(OH) x species on Ni (111) surface, and the results are used to obtain the effective surface diffusivity of Ni versus steam and hydrogen gas partial pressures. This diffusivity is used as an input for a phase-field model to investigate the Ni coarsening in SOC electrodes. It is found that Ni(OH) x formed through chemical reaction cannot accelerate coarsening unless an extremely high steam to hydrogen ratio is reached. However, if Ni(OH) x is formed through electrochemical reactions near triple phase boundaries (TPBs), surface diffusion of Ni(OH) x may cause faster Ni coarsening in fuel cell mode under a large overpotential. Specifically, surface diffusion of Ni(OH) may be comparable to or faster than that of Ni under an overpotential that is large but still possible under fuel cell operating conditions.

25 ENERGY STORAGE↗
DOE OSTI2023

Methane mass transfer in mesoporous silica saturated with liquid hydrocarbons

Mass transfer across gas/liquid interfaces plays a central role in many industrial applications. In particular, gas dissolution and diffusion in liquid hydrocarbon mixtures, confined in nanometer-sized pores, is an essential mechanism during enhanced oil recovery (EOR) from unconventional formations. In this work, we have measured methane (C 1 ) diffusion in n-decane (C 10 ), n-hexadecane (C 16 ), and mixtures of C 10 + C 16 in a mesoporous material with an average pore size of 4 nm at 50 °C and ~ 8 MPa of gas pressure. A key conclusion of this work is that the diffusivities, measured in the bulk phase, for the relevant binary systems, are sufficient to predict the diffusion behavior of the corresponding multicomponent systems in the porous medium by using Wilke’s equation for the evaluation of effective component diffusivities, combined with an accurate equation of state (EOS) representation of the (bulk) phase behavior. This observation can facilitate accurate prediction of recovery processes in unconventional formations and, potentially, guide other applications that entail gas-liquid interface mass transfer in mesoporous materials.

42 ENGINEERING↗
DOE OSTI2023

Evolving radon diffusion through earthen barriers at uranium waste disposal sites

Field measurements of Rn-222 fluxes from the tops and bottoms of compacted clay radon barriers were used to calculate effective Rn diffusion coefficients (D Rn ) at four uranium waste disposal sites in the western United States to assess cover performance after more than 20 years of service. Values of D Rn ranged from 7.4 × 10 -7 to 6.0 × 10 -9 m 2 /s, averaging 1.42 × 10 -7 . Water saturation (S W ) from soil cores indicated that there was relatively little control of D Rn by S W , especially at higher moisture levels, in contrast to estimates from most steady-state diffusion models. Further, this is attributed to preferential pathways intrinsic to construction of the barriers or to natural process that have developed over time including desiccation cracks, root channels, and insect burrows in the engineered earthen barriers. A modification to some models in which fast and slow pathway D Rn values are partitioned appears to give a good representation of the data; 4% of the fast pathway was needed to fit the data regression. For locations with high S w and highest D Rn (and fluxes) at each site, the proportion of fast pathway ranged from 1.7% to 34%, but for many locations with lower fluxes, little if any fast pathway was needed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2005

Experimental Investigation of a Morphing Nacelle Ducted Fan

The application of Circulation Control to the nacelle of a shrouded fan is proposed as a means to enhance off-design performance of the shrouded fan. Typically, a fixed geometry shroud is efficient at a single operating condition. Modifying circulation about the fixed geometry is proposed as a means to virtually morph the shroud without moving surfaces. This approach will enhance off-design-point performance with minimal complexity, weight, and cost. Termed the Morphing Nacelle, this concept provides an attractive propulsion option for Vertical Take-off and Landing (VTOL) aircraft, such conceptual Personal Air Vehicle (PAV) configurations proposed by NASA. An experimental proof of concept investigation of the Morphing Nacelle is detailed in this paper. A powered model shrouded fan model was constructed with Circulation Control (CC) devices integrated in the inlet and exit of the nacelle. Both CC devices consisted of an annular jet slot directing a jet sheet tangent to a curved surface, generally described as a Coanda surface. The model shroud was tailored for axial flight, with a diffusing inlet, but was operated off-design condition as a static lifting fan. Thrust stand experiments were conducted to determine if the CC devices could effectively improve off-design performance of the shrouded fan. Additional tests were conducted to explore the effectiveness of the CC devices a means to reduce peak static pressure on the ground below a lifting fan. Experimental results showed that off-design static thrust performance of the model was improved when the CC devices were employed under certain conditions. The exhaust CC device alone, while effective in diffusing the fan exhaust and improving weight flow into shroud inlet, tended to diminish performance of the fan with increased CC jet momentum. The inlet CC device was effective at reattaching a normally stalled inlet flow condition, proving an effective means of enhancing performance. A more dramatic improvement in static thrust was obtained when the inlet and exit CC devices were operated in unison, but only over a limited range of CC jet momentum. Operating the nacelle inlet and exit CC devices together proved very effective in reducing peak ground plane static pressure, while maintaining static thrust. The Morphing Nacelle concept proved effective at enhancing off-design performance of the model; however, additional investigation is necessary to generalize the results.

Kondor, Shayne A.↗
DOE OSTI2018

Calculation of two-dimension radial electric field in boundary plasmas by using BOUT++

The steady state radial electric field (Er) is measured by coupling a plasma transport model with the quasi-neutrality constraint and the vorticity equation within the BOUT++ framework. Due to the experimentally measured plasma density and temperature profiles in Alcator C-Mod discharges, the effective radial particle and heat diffusivities are inferred from the set of plasma transport equations. The effective diffusivities are then extended into the scrape-off layer (SOL) to calculate the plasma density, temperature and flow profiles across the separatrix into the SOL with the electrostatic sheath boundary conditions (SBC) applied on the divertor plates. Given these diffusivities, the electric field can be calculated self-consistently across the separatrix from the vorticity equation with SBC coupled to the plasma transport equations. The sheath boundary conditions act to generate a large and positive Er in the SOL, which is consistent with experimental measurements. The effect of magnetic particle drifts is shown to play a significant role on local particle transport and Er by inducing a net particle flow in both the edge and SOL regions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

A First-Principles Density Function Theory Study of Tritium Diffusion in Li 2 ZrO 3 : Application for Producing Tritium

The ceramic material Li 2 ZrO 3 has superior thermo-physical and thermo-chemical properties and is highly compatible with other blanket materials used in nuclear reactors. Like LiAlO 2 , it could be used in the form of an annular pellet in tritium-producing burnable absorber rods (TPBARs) to produce tritium( 3 H) upon thermal neutron irradiation of lithium isotope ( 6 Li). The radiation damaged pellet crystal contains vacancies, defects of its constituent elements, and several other trapping sites which hinder the 3 H diffusion process and releasing behavior. In this study, we investigate the diffusion mechanisms of 3 H and O 3 H species in Li 2 ZrO 3 ceramic pellet in order to understand the effects on diffusion barriers and diffusion coefficients due to the presence of interstitial and substitutional Li defects, hydroxide (O– 3 H) vacancy defect, and of the interactions of 3 H with O-vacancies in the radiation damaged Li 2 ZrO 3 crystal. We consider several possible diffusion pathways of interstitial and substitutional 3 H and its species in a defective supercell and calculate the activation energy barrier profiles. We find that the smallest activation energy barrier is 0.3 eV and corresponding diffusion coefficient at 600 K is 1.93 × 10 –9 m 2 /s for 3 H substitutional diffusion. The smallest 3 H interstitial diffusion barrier and diffusion coefficient are found to be 0.34 eV and 3.25 × 10 –9 m 2 /s. By examining several channels for diffusion, our results show the most likely diffusion mechanism of 3 H migration is occurring along the c-direction by exchange of 3 H within and between different Li sites. Here, our calculated results reveal that the smallest energy barrier for O 3 H diffusion is 0.75 eV which is when O 3 H is diffusing to the O–Li vacancy pair and the corresponding diffusion coefficient is 6.31 × 10 –13 m 2 /s. In terms of 3 H diffusion, the obtained results indicate that the performance of Li 2 ZrO 3 could be better than γ-LiAlO 2 , a widely used ceramic material in TPBAR for producing 3 H.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗