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At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A reaction mechanism for plasma electrolysis of AgNO 3 forming silver nanoclusters and nanoparticles

In plasma-driven solution electrolysis (PDSE), gas-phase plasma-produced species interact with an electrolytic solution to produce, for example, nanoparticles. An atmospheric pressure plasma jet (APPJ) directed onto a liquid solution containing a metallic salt will promote reduction of metallic ions in solution, generating metallic clusters that nucleate to form nanoparticles. In this article, results from a computational investigation are discussed of a PDSE process in which a radio-frequency APPJ sustained in helium impinges on a silver nitrate solution, resulting in growth of silver nanoparticles. A reaction mechanism was developed and implemented in a global plasma chemistry model to predict nanoparticle growth. To develop the reaction mechanism, density functional theory was used to generate probable silver growth pathways up to Ag 9 . Neutral clusters larger than Ag 9 were classified as nanoparticles. Kinetic reaction rate coefficients for thermodynamically favorable growth pathways were estimated based on an existing, empirically determined base reaction mechanism for smaller Ag particle interactions. These rates were used in conjunction with diffusion-controlled reaction rate coefficients that were calculated for other Ag species. The role of anions in reduction of Agn ions in forming nanoparticles is also discussed. Oxygen containing impurities or admixtures to the helium, air entrainment into the APPJ, and dissociation of saturated water vapor above the solution can produce additional reactive oxygen species in solution, resulting in the production of anions and O 2 – in particular. For a given molarity, delivering a sufficient fluence of reducing species will produce similar nanoparticle densities and sizes for all applied power levels. In conclusion, comparisons are made to alternate models for nanoparticle formation, including charged nanoparticles and use of direct current plasmas.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Convective Effects During Diffusivity Measurements in Liquids with An Applied Magnetic Field

Convective contamination of self-diffusion experiments with an applied magnetic field is considered using a two-dimensional axisymmetric model. Constant, uniform, and an additional non-uniform heat fluxes are imposed along the sidewall of the cylinder while constant heat loss occurs through the top and bottom. In this model, due to a very small thermal Peclet number, convective heat transfer is neglected, and the flow is steady and inertialess. Time-dependent concentration is solved for various values of the mass Peclet number, Pe(sub m), (the ratio between the convective transport rate and the diffusive transport rate) and different magnetic field strengths represented by the Hartmann number Ha. Normalized values of these diffusivities vs. effective Pe(sub m) are presented for different imposed temperature profiles. In all cases, the diffusivity value obtained through the simulated measurement increases as the effective Pe(sub m) increases. The numerical results suggest that an additional periodic flux, or hot and cold spots, can significantly decrease the convective contamination in our geometry.

Khine, Yu Yu↗
DOE OSTI2021

Accretion of Gas Giants Constrained by the Tidal Barrier

After protoplanets have acquired sufficient mass to open partial gaps in their natal protostellar disks, residual gas continues to diffuse onto horseshoe streamlines under the effect of viscous dissipation, and to meander in and out of the planets' Hill sphere. Within the Hill sphere, the horseshoe streamlines intercept gas flow in circumplanetary disks. The host star's tidal perturbation induces a barrier across the converging streamlines' interface. Viscous transfer of angular momentum across this tidal barrier determines the rate of mass diffusion from the horseshoe streamlines onto the circumplanetary disks, and eventually the accretion rate onto the protoplanets. Here, we carry out a series of numerical simulations to test the influence of this tidal barrier on superthermal planets. In weakly viscous disks, the protoplanets' accretion rate steeply decreases with their masses above the thermal limit. As their growth timescale exceeds the gas depletion timescale, their masses reach asymptotic values comparable to that of Jupiter. In relatively thick and strongly viscous disks, protoplanets' asymptotic masses exceed several times that of Jupiter. Two-dimensional numerical simulations show that such massive protoplanets strongly excite the eccentricity of nearby horseshoe streamlines, destabilize orderly flow, substantially enhance the diffusion rate across the tidal barrier, and elevate their growth rate until their natal disk is severely depleted. In contrast, eccentric streamlines remain stable in three-dimensional simulations. Based on the upper falloff in the observed mass distribution of known exoplanets, we suggest that their natal disks had relatively low viscosity (α ~ 10 –3 ) and modest thickness (H/R ~ 0.03–0.05).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Approximation rates of DeepONets for learning operators arising from advection–diffusion equations

Here we present the analysis of approximation rates of operator learning in Chen and Chen (1995) and Lu et al. (2021), where continuous operators are approximated by a sum of products of branch and trunk networks. In this work, we consider the rates of learning solution operators from both linear and nonlinear advection–diffusion equations with or without reaction. We find that the approximation rates depend on the architecture of branch networks as well as the smoothness of inputs and outputs of solution operators.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

What Can Plastic Flow Fields Tell Us About Heat Sources in Deformation Processing?

We characterize primary (shape-change) and secondary (friction) deformation, and associated temperature fields, in metal cutting and forming processes, using in situ imaging and simulation. The experimental configurations enable access to the deformation zones and die contact-interfaces, for measuring deformation, temperature, and frictional drag. Infra-red thermography reveals that the plastic strain-rate field is an excellent proxy for the deformation-induced heat sources. Both spatially confined and diffuse strain-rate fields occur, depending on the initial workpiece deformation state. When the strain rate is confined, as in pre-hardened material, the temperature modeling is much simplified, as the heat source is also now localized. However complex, microstructure-driven deformation modes, like sinuous flow in annealed metals, result in spatially diffuse strain-rate and body heat sources, more challenging to analyze. Furthermore, our unified measurements should be of value for accurately estimating the fraction of plastic dissipation that is converted into heat in large-strain deformation processes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Estimates of Quantum Tunneling Effects for Hydrogen Diffusion in PuO 2

We detail the estimation of activation energies and quantum nuclear vibrational tunneling effects for hydrogen diffusion in PuO 2 based on Density Functional Theory calculations and a quantum double well approximation. We find that results are relatively insensitive to choice of exchange correlation functional. In addition, the representation of spin in the system and use of an extended Hubbard U correction has only a small effect on hydrogen point defect formation energies when the PuO 2 lattice is held fixed at the experimental density. We then compute approximate activation energies for transitions between hydrogen interstitial sites seeded by a semi-empirical quantum model and determine the quantum tunneling enhancement relative to classical kinetic rates. Our model indicates that diffusion rates in H/PuO 2 systems could be enhanced by more than one order of magnitude at ambient conditions and that these effects persist at high temperature. The method we propose here can be used as a fast screening tool for assessing possible quantum nuclear vibrational effects in any number of condensed phase materials and surfaces, where hydrogen hopping tends to follow well defined minimum energy pathways.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

Equatorial ground ice on Mars: Steady-state stability

Current Martian equatorial surface temperatures are too warm for water ice to exist at the surface for any appreciable length of time before subliming into the atmosphere. Subsurface temperatures are generally warmer still and, despite the presence of a diffusive barrier of porous regolith material, it has been shown by Smoluchowski, Clifford and Hillel, and Fanale et al. that buried ground ice will also sublime and be lost to the atmosphere in a relatively short time. We investigate the behavior of this subliming subsurface ice and show that it is possible for ice to maintain at a steady-state depth, where sublimation and diffusive loss to the atmosphere is balanced by resupply from beneath by diffusion and recondensation of either a deeper buried ice deposits or ground water. We examine the behavior of equatorial ground ice with a numercial time-marching molecular diffusion model. In our model we allow for diffusion of water vapor through a porous regolith, variations in diffusivity and porosity with ice content, and recondensation of sublimed water vapor. A regolith containing considerable amounts of ice can still be very porous, allowing water vapor to diffuse up from deeper within the ice layer where temperatures are warmer due to the geothermal gradient. This vapor can then recondense nearer to the surface where ice had previously sublimed and been lost to the atmosphere. As a result we find that ice deposits migrate to find a steady-state depth, which represents a balance between diffusive loss to the atmosphere through the overlying porous regolith and diffusive resupply through a porous icy regolith below. This depth depends primarily on the long-term mean surface temperature and the nature of the geothermal gradient, and is independent of the ice-free porosity and the regolith diffusivity. Only the rate of loss of ground ice depends on diffusive properties.

Mellon, Michael T.↗
NASA NTRS1972

High-temperature creep of polycrystalline chromium

The creep properties of high-purity, polycrystalline chromium were determined over the temperature range 0.51 to 0.78 T sub m, where T sub m is the melting temperature. Creep rates determined from step-load creep tests can be represented by the general creep equation; epsilon/D = k((sigma/E) to the nth power) where epsilon is the minimum creep rate, D is the diffusivity, k is the creep rate constant, sigma is the applied stress, E is the modulus, and n is the stress exponent, equal to 4.3 for chromium. This correlation and metallographic observations suggest a dislocation climb mechanism is operative in the creep of chromium over the temperature range investigated.

Stephens, J. R.↗
NASA NTRS1986

Ground testing in a simulated auroral environment

Shuttle polar orbit missions are being planned in which astronaut extravehicular activities (EVA) will eventually include external operations or repair and refurbishment of satellites. Recent satellite data and model calculations show that significant spacecraft charging and differential charging occurs in that environment and could endanger equipment and personnel involved in the EVA. These spacecraft charging events take place in response to an intense flux of high energy electrons accompanied by a large drop in the ambient plasma density. The extent of which the auroral environment can be simulated in a large vacuum chamber are determined so that conditions which lead to significant charging and discharging may be observed and controlled. A large chamber would be required in order to simulate the effects of an aurora-like, large cross-section, energetic electron precipitation on a target system the size of an astronaut with a life support system. The precipitating electrons can be simulated with an array of multipactor sources and the background ionization produced by the beam can be limited to the range of the auroral density if the chamber pressure is not significantly above 1 x .000001 Torr. Some small chamber work has shown that the plasma in the beam will diffuse radially at a rate determined by the Bohm diffusion coefficient.

Mcintyre, Bernard↗
DOE OSTI2025

In Situ Observation of Ion Migration in a Ferroelectric Ionic Conductor Rb-KTP during Thermal Annealing

Ion exchange in Rb-doped KTiOPO 4 has facilitated significant advancements in ferroelectric domain engineering, yet understanding the underlying mechanisms remains in its infancy. We perform time-of-flight secondary ion mass spectrometry analysis on multiple periodically ion-exchanged and periodically poled Rb-doped KTiOPO 4 samples under different temperatures and annealing durations. The results are compared between annealing in air, which involved ex situ annealing before periodic poling, and vacuum annealing conducted in situ after periodic poling. The Rb + diffusion profile after periodic ion exchange forms a tooth-shaped pattern. We show that in situ annealing causes a surface pinning effect on the nonpolar face, limiting Rb + migration along the polar axis at the surface. Once the pinned layer is removed through milling, the underlying Rb + diffusion is distinctively different from the surface. Additionally, the rate of Rb + diffusion during in situ annealing is linear, while the periodic domain structures remain stable after annealing. These results contribute to understanding the ionic diffusion process in a ferroelectric ionic conductor and using ion exchange to tailor the linear and nonlinear properties of KTiOPO 4 .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Deconvolution of Water-Splitting on the Triple-Conducting Ruddlesden–Popper-Phase Anode for Protonic Ceramic Electrolysis Cells

Triple-conducting materials have been proved to improve the performance of popular protonic ceramic electrolysis cells. However, partially because of the complexity of the water splitting reaction involving three charge carriers, that is, oxygen (O 2– ), proton (H + ), and electron (e – ), the triple-conducting reaction mechanism was not clear, and the reaction conducting pathways have seldom been addressed. In this study, the triple conducting Ruddlesden–Popper phase Pr 1.75 Ba 0.25 NiO 4+δ as an anode on the BaCe 0.7 Zr 0.1 Y 0.1 Yb 0.1 O 3–δ electrolyte was fabricated and its electroresponses were characterized by electrochemical impedance spectroscopy with various atmospheres and temperatures. The impedance spectra are deconvoluted by means of the distribution of the relaxation time method. The surface exchange rate and chemical diffusivity of H + and O 2– are characterized by electrical conductivity relaxation. The physical locations of electrochemical processes are also identified by atomic layer deposition with a surface inhibitor. A microkinetics model is proposed toward conductivities, triple-conducting pathways, reactant dependency, surface exchange and bulk diffusion capabilities, and other relevant properties. Lastly, the rate-limiting steps and suggestions for further improvement of electrode performance are presented.

25 ENERGY STORAGE↗
NASA NTRS1993

An Experimental and Theoretical Study of Radiative Extinction of Diffusion Flames

In a recent paper on 'Observations of candle flames under various atmospheres in microgravity' by Ross et al., it was found that for the same atmosphere, the burning rate per unit wick surface area and the flame temperature were considerably reduced in microgravity as compared with normal gravity. Also, the flame (spherical in microgravity) was much thicker and further removed from the wick. It thus appears that the flame becomes 'weaker' in microgravity due to the absence of buoyancy generated flow which serves to transport the oxidizer to the combustion zone and remove the hot combustion products from it. The buoyant flow, which may be characterized by the strain rate, assists the diffusion process to execute these essential functions for the survival of the flame. Thus, the diffusion flame is 'weak' at very low strain rates and as the strain rate increases the flame is initially 'strengthened' and eventually it may be 'blown out'. The computed flammability boundaries of T'ien show that such a reversal in material flammability occurs at strain rates around 5 sec. At very low or zero strain rates, flame radiation is expected to considerably affect this 'weak' diffusion flame because: (1) the concentration of combustion products which participate in gas radiation is high in the flame zone; and (2) low strain rates provide sufficient residence time for substantial amounts of soot to form which is usually responsible for a major portion of the radiative heat loss. We anticipate that flame radiation will eventually extinguish this flame. Thus, the objective of this project is to perform an experimental and theoretical investigation of radiation-induced extinction of diffusion flames under microgravity conditions. This is important for spacecraft fire safety.

Atreya, Arvind↗
NASA NTRS1995

Diffusion at the magnetopause: Hybrid simulations

Electromagnetic wave generation and resulting cross-field diffusion of plasma are considered at a tangential discontinuity, which characterizes the magnetopause for northward interplanetary magnetic field. Two-dimensional hybrid (particle ions, massless fluid electrons) simulations, in which the tangential discontinuity is generated self-consistently via a stream-stream interaction, are used to show that wave growth occurs when the ambient magnetic field is predominantly perpendicular to the direction of the density gradient. Low-frequency (much less than ion gyrofrequency) waves, with amplitudes delta B/B less than or equal to 0.2 and anticorrelated density fluctuations delta n/n less than or equal to 0.6, are generated at the discontinuity, resulting in cross-field diffusion that is comparable to the Bohm rate. Both the fluctuation level and the lack of ion heating in the calculations are consistent with observations at the magnetopause. The magnitude of the diffusion is considered in the presence of numerical effects and in the context of the inferred diffusion rate at the magnetopause. The relation of the low-frequency waves and their consequences to faster growing, short-wavelength waves due to the lower hybrid drift instability is also addressed. The overall conclusion of this initial study is that diffusion due to low frequency waves is not likely to be a major effect at the magnetopause.

Winske, D.↗
NASA NTRS1991

Source processes for the alkali metals in the atmosphere of Mercury

A large (fivefold) increase in Mercury's potassium (K) column abundance on October 14, 1987, has been reported by Sprague et al. (1990), who attributed the enhancement to diffusion through the surface in the Caloris Basin, from depths of order 10 km. The postulated source rate is much larger than any previously estimated diffusion rate, and, if true, certainly affects consideration of the origin of other atmospheric species. However, Killen et al. (1991) have pointed out that the claim is not supported by the published observations of K or sodium as a whole. Sprague et al. (1991) have responded by further hypothesizing the existence of several other sources of gas diffusing out of the regolith, all of which are time variable. In any case, the Sprague et al. data indicate large variations in abundance, and it is important to understand the cause. With this issue in mind, the available abundance estimates for correlation with possible controlling physical parameters has ben examined. A significant correlation between the average zenith K column abundance and indices of solar activity has been found.

Shemansky, D. E.↗
DOE OSTI2022

Oxygen and Proton Transport in Flooded Graphene Pores with N-Dopants and Defects

Reactant transport is an important consideration in the design of ideal electrode structures. For the oxygen reduction reaction catalyzed by Pt/C in proton exchange membrane fuel cell cathodes, O 2 and H + delivery to Pt surfaces and H 2 O transport away are required. Some Pt nanoparticles may only be accessible via micropores that are too small for ionomer molecules to enter, possibly requiring flooding for H + transport. Here, to test if these “buried” Pt particles can play a role in activity through this proposed transport mechanism, we have performed atomic-scale simulations based on reactive force field molecular dynamics with an emphasis on confinement below 20 Å. Diffusion coefficients as a function of the molar concentration and local environment have been evaluated in water domains confined in two-dimensional graphene nanochannels of various channel heights representing a morphological model for micropores in proton exchange fuel cell cathodes. Our study shows that local atomic-scale structures can strongly modify H + , O 2 , and H 2 O transport rates in flooded micropores less than 20 Å in size. We find that there is a critical crossover in diffusion behavior around the 20 Å spacing with larger pores having bulk-like diffusion properties and confinement below 20 Å monotonically decreases diffusion rates. As pore size decreases, we observe locally dispersed water regions that ultimately strand reactants from long-distance transport. These findings suggest that flooded micropores may in fact be viable transport pathways for relevant reactants and products if the pore walls on opposite sides remain separated by ≥10 Å separation. Furthermore, the confinement effect is so strong that N-doping and C-vacancy defects in the C pore wall have only a minimal impact on diffusion rates and their effects are counterintuitively more apparent at larger spacings. These findings provide valuable insight regarding cathode performance and the role “stranded” catalyst particles may play in fuel cell cathodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Trace Oxygen Measurements of Asteroid Sample Storage Desiccators

The Astromaterials Curation facility at the NASA Johnson Space Center is currently curating more than 120 g of carbonaceous asteroid Bennu material as well as over 500 mg of asteroid Ryugu [1 and 2]. These astromaterials are stored in isolating desiccators and gloveboxes under a continuous purge of pure (<1 ppm O 2 ) gaseous nitrogen. The oxygen and moisture concentrations in our OSIRIS-REx sample processing gloveboxes are continuously monitored via integrated sensors; however, our sample storage desiccators lack integrated oxygen and humidity sensors. In previous studies, we used PreSens Fibox 4 trace oxygen meters and optochemical PSt9 spot sensors to measure the oxygen concentrations in candidate asteroid sample containers that had been sealed in nitrogen; we determined that Eagle stainless steel containers inhibit the ingress of external oxygen for several weeks [3]. This optochemical sensor technology allowed us to take precise, contactless measurements within a trace range of 0 to 200 ppmv O 2 . The effectiveness of the trace oxygen sensors in our container experiments inspired us to utilize them to assess the performance of our desiccators that previously lacked trace oxygen monitoring. In this study, our goal was to determine the quality of the nitrogen purge in the isolating desiccator under normal operating conditions by measuring the trace oxygen content. Utilizing optochemical sensor technology, we determined how long the oxygen concentration takes to reach an equilibrium in the desiccator; that is, determine the rate at which the oxygen diffusion into the desiccator equals the rate at which oxygen diffuses out of the desiccator via N2 purge. Additionally, we wanted to determine the oxygen concentration at this equilibrium, the state in which our desiccators are in during normal operating conditions. We tested a custom three chamber desiccator manufactured by Germfree using a PSt9 trace oxygen sensor spot that was mounted into a ¼” National Pipe Tapered (NPT) metal flow-through cell and attached it to the desiccator exhaust. The desiccator consists of top, middle, and bottom isolating chambers. The top chamber door was opened for several minutes to simulate a sample exchange, it was sealed, and then purged ~15 Standard Cubic Feet per Hour (SCFH). Oxygen measurements were automatically recorded via the Fibox 4 trace oxygen meter in 5-minute intervals over the course of a 24-hour period. Our results indicate the desiccator reached an equilibrium value of 10-15 ppm O 2 after ~5 hours (Fig. 1). This data allows us to explore standards for purging and exchange protocols that can be applied to similar types of desiccators in Hayabusa2, OSIRIS-REx, and for sample return collections. The assessment of the internal gaseous compositions of desiccators also allows us to share with the community the N 2 environment in which many of our asteroid samples and hardware are securely curated. Future measurements will include other nitrogen flow rates and measuring the trace oxygen concentration as a function of time for the levels of the previous commercial desiccator in which the Hayabusa2 sample collection was stored. We will also analyze how long the desiccators hold N2 after being disconnected from their N2 source, an extended measurement for sample security reassurance.

Curation↗
NASA NTRS2003

Suppression and Structure of Low Strain Rate Nonpremixed Flames

The agent concentration required to achieve suppression of low strain rate nonpremixed flames is an important fire safety consideration. In a microgravity environment such as a space platform, unwanted fires will likely occur in near quiescent conditions where strain rates are very low. Diffusion flames typically become more robust as the strain rate is decreased. When designing a fire suppression system for worst-case conditions, low strain rates should be considered. The objective of this study is to investigate the impact of radiative emission, flame strain, agent addition, and buoyancy on the structure and extinction of low strain rate nonpremixed flames through measurements and comparison with flame simulations. The suppression effectiveness of a suppressant (N2) added to the fuel stream of low strain rate methane-air diffusion flames was measured. Flame temperature measurements were attained in the high temperature region of the flame (T greater than 1200 K) by measurement of thin filament emission intensity. The time varying temperature was measured and simulated as the flame made the transition from normal to microgravity conditions and as the flame extinguished.

Hamins, Anthony↗