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At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Comparison of experimental methods for estimating matrix diffusion coefficients for contaminant transport modeling

Here, diffusion cell and diffusion wafer experiments were conducted to compare methods for estimating effective matrix diffusion coefficients in rock core samples from Pahute Mesa at the Nevada Nuclear Security Site (NNSS). A diffusion wafer method, in which a solute diffuses out of a rock matrix that is pre-saturated with water containing the solute, is presented as a simpler alternative to the traditional through-diffusion (diffusion cell) method. Both methods yielded estimates of effective matrix diffusion coefficients that were within the range of values previously reported for NNSS volcanic rocks. The difference between the estimates of the two methods ranged from 14 to 30%, and there was no systematic high or low bias of one method relative to the other. From a transport modeling perspective, these differences are relatively minor when one considers that other variables (e.g., fracture apertures, fracture spacings) influence matrix diffusion to a greater degree and tend to have greater uncertainty than effective matrix diffusion coefficients. For the same relative random errors in concentration measurements, the diffusion cell method yields effective matrix diffusion coefficient estimates that have less uncertainty than the wafer method. However, the wafer method is easier and less costly to implement and yields estimates more quickly, thus allowing a greater number of samples to be analyzed for the same cost and time. Given the relatively good agreement between the methods, and the lack of any apparent bias between the methods, the diffusion wafer method appears to offer advantages over the diffusion cell method if better statistical representation of a given set of rock samples is desired.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1988

Effect of computed horizontal diffusion coefficients on two-dimensional N2O model distributions

The effects of horizontal diffusion coefficients K(yy) and K(yz), computed directly from the residual circulation, on the N2O distribution in a photochemical model were investigated, using a modified version of the two-dimensional model of Guthrie et al. (1984). The residual circulation was computed using the NMC's temperature data and the heating rates reported by Rosenfield et al. (1987). As compared with the effect of the residual circulation alone, the use of horizontal diffusion coefficients produced substantial changes in the N2O distribution and increased the N2O's lifetime values by a few percent. It is suggested that trace gases, such as CH4, CFCl3, CF2Cl2, CH3Cl, and CCl4, which impact the NO(x), HO(x), and Cl(x) radical distributions and therefore ozone, will be influenced in a similar manner by the addition of more realistic diffusion fields.

Jackman, Charles H.↗
NASA NTRS1970

Diffusion filter eliminates fringe effects of coherent laser light source

Diffusion filter comprised of small particles in colloidal suspension reduces the coherence of a laser beam used as a photographic light source. Interference patterns which obscure details in photographic film are eliminated, the intensity and collimation are moderately affected.

Olsasky, M. J.↗
NASA NTRS2003

Effects of Impeller-Diffuser Interaction on Centrifugal Compressor Performance

This research program focuses on characterizing the effect of impeller-diffuser interactions in a centrifugal compressor stage on its performance using unsteady threedimensional Reynolds-averaged Navier-Stokes simulations. The computed results show that the interaction between the downstream diffuser pressure field and the impeller tip clearance flow can account for performance changes in the impeller. The magnitude of performance change due to this interaction was examined for an impeller with varying tip clearance followed by a vaned or vaneless diffuser. The impact of unsteady impeller-diffuser interaction, primarily through the impeller tip clearance flow, is reflected through a time-averaged change in impeller loss, blockage and slip. The results show that there exists a tip clearance where the beneficial effect of the impeller-diffuser interaction on the impeller performance is at a maximum. A flow feature that consists of tip flow back leakage was shown to occur at design speed for the centrifugal compressor stage. This flow phenomenon is described as tip flow that originates in one passage, flows downstream of the impeller trailing edge and then returns to upstream of the impeller trailing edge of a neighboring passage. Such a flow feature is a source of loss in the impeller. A hypothesis is put forth to show that changing the diffuser vane count and changing impeller-diffuser gap has an analogous effect on the impeller performance. The centrifugal compressor stage was analyzed using diffusers of different vane counts, producing an impeller performance trend similar to that when the impeller-diffuser gap was varied, thus supporting the hypothesis made. This has the implication that the effect impeller performance associated with changing the impeller-diffuser gap and changing diffuser vane count can be described by the non-dimensional ratio of impeller-diffuser gap to diffuser vane pitch. A procedure is proposed and developed for isolating impeller passage blockage change without the need to define the region of blockage generation (which may incur a certain degree of arbitrariness). This method has been assessed for its applicability and utility.

Tan, Choon S.↗
NASA NTRS1985

Effects of preferential diffusion on the burning intensity of curved flames

Using the Bunsen flame as a model curved flame, the coupled influence of preferential diffusion and flame stretch on the burning intensity of lean and rich mixtures of methane, propane, butane, ethylene, and hydrogen with air has been experimentally studied. The results substantiate theoretical predictions and quantify previous experimental observations that, for mixtures whose effective Lewis numbers (Le) are less than unity, the flame temperature is less than the adiabatic flame temperature. This temperature also decreases towards the flame tip, which has the largest curvature and therefore may locally extinguish. The dominance of diffusional transport in influencing the intensity of curved flames is demonstrated by showing that the tip opening of the highly diffusive hydrogen/air flames occurs at constant hydrogen equivalence ratios of about 1.15 to 1.20, being almost independent of the flow intensity and uniformity.

Mizomoto, M.↗
NASA NTRS1975

On upstream blocking in a viscous diffusive stratified flow

The effect of diffusion of specie upon the flow about a transverse flat plate moving horizontally in a viscous stratified medium is considered. Asymptotic expansions are used to define a parameter regime where a viscous-diffusive-buoyancy balance is dominant. The solution, expressed in terms of an inverse Fourier transform, is numerically integrated. The results show that, as in the non-diffusive problem, a region of closed streamlines exists ahead of the body. However, unlike the case where diffusion is neglected, the density field within this recirculating region is uniquely determined and found to be statically stable. It is also found that varying the relative amount of diffusion affects not only the density distribution, but the velocity profile as well, indicating a strong coupling between the vorticity and specie equation.

Koop, C. G.↗
DOE OSTI2023

Strengthening model development and effects of low diffusing solutes to coarsening resistance in aluminum alloys

A modified Orowan strengthening model is proposed to account for finite rod-shaped precipitates with hemispherical caps in aluminum alloy systems. A combined computational and experimental approach is used to study the influences of anisotropic Orowan looping and solute-dislocation interaction on temperature-dependent yield strength. Here, the strengthening model is validated with a dataset containing 297 experimental precipitate geometries, chemistries, temperatures, and strength measurements, and achieves a strong predictive correlation of 0.8713 with experimentally measured yield strengths. Under conditions that are applicable to coarsening, constant particle volume fraction and aspect ratio, the model predicts that short rod precipitates provide far superior strengthening effects compared to plate precipitates. A cast Al-Si-Mg-Cu alloy with rod-shaped Q-phase (Al 3 Cu 2 Mg 9 Si 7 ) precipitates was developed with a novel chemistry exploring the use of low-diffusivity elements (Mn, Ni, V, Zr) to limit precipitate coarsening. The thermodynamic behavior of Mn, Ni, V, and Zr across the Q-phase interface is examined using transmission electron microscopy (TEM), first-principles density-functional theory (DFT) calculations. and atom-probe tomography (APT). DFT calculations utilizing TEM identified Q-phase/Al-matrix interfaces show that Mn, Ni, V, and Zr preferentially segregate to the Q-phase precipitate boundaries which suggests inhibition of precipitate coarsening and higher strengths after temperature exposure. Atom-probe tomography confirms solute atom partitioning/segregation at the Q-phase/Al-matrix interface, found in the modified commercial AS7GU alloy (A356 +0.5%Cu), which supports these observations.

36 MATERIALS SCIENCE↗
NASA NTRS1984

The effects of the diffuse radiation fields due to multiple scattering and thermal reradiation by dust on the dynamics and thermodynamics of a dusty cometary atmosphere

A self-consistent model of a dirty, clathrate cometary nucleus is extended to account for diffuse radiation fields caused by multiple scattering and thermal reradiation of the solar continuum by dust. The model is configured to fit conditions expected for the various spacecraft which will encounter Halley's comet at 0.89 AU. The atmosphere is assumed a chemically reactive dust-gas mixture in quasi-steady spherically symmetric expansion. The effect of electron-neutral ion collisions is accounted for, along with rate constants of the various species of clathrate ice particles and radiative transfer of the solar input in the UV, visible and near-IR intervals. The opacity of the circumnuclear dust is projected to be an order of magnitude greater than previous estimates, which severely impacts the potential visibility of the nucleus to the cameras of the flyby satellites.

Marconi, M. L.↗
DOE OSTI2023

Osmotic Pressure Gradient Effects on Water Diffusion in Porous Rock: Can They Pervert Permeability Tests?

Abstract Generation of a large network of hydraulic cracks is of key importance not only for the success of fracking of shale but also for the recent scheme of sequestration of CO2 in deep formations of basalt and peridotite, which are mafic and ultramafic rocks that combine chemically with CO2. In numerical simulation of the creation of a fracture network in porous rock, an important goal is to enhance the rock permeability. The objective of this article is to calculate the effect of osmotic pressure gradients caused by gradients of concentration of the ions of Ca, Mg, Na, etc. on the effective permeability of the rock. The basic differential equations are formulated, and their explicit solutions for appropriate initial and boundary conditions are obtained under certain plausible simplifications. The main result is explicit approximate formulas for the critical time before which no water permeation through a test specimen can be observed. Depending on various parameters, this time can be unacceptably long, which is manifested as a zero water outflow. The solution may also explain the unreasonably small permeability values reported for some shales.

Mechanics↗
DOE OSTI2018

Effective Stochastic Model For Reactive Transport

We propose an effective stochastic advection-diffusion-reaction (SADR) model. Unlike traditional advection-dispersion-reaction models, the SADR model describes mechanical and diffusive mixing as two separate processes. In the SADR model, the mechanical mixing is driven by random advective velocity with the variance given by the coefficient of mechanical dispersion. The diffusive mixing is modeled as a fickian diffusion with the effective diffusion coefficient. Both coefficients are given in terms of Peclet number (Pe) and the coefficient of molecular diffusion. We use the experimental results of \cite{Gramling} to demonstrate that for transport and bimolecular reactions in porous media the SADR model is significantly more accurate than the traditional dispersion model, which overestimates the mass of the reaction product by as much as 25\%.

stochastic equations, mixing controlled reactions,↗
DOE OSTI2021

Molecular dynamics studies of lattice defect effects on tritium diffusion in zirconium

Tritium diffusion in α-Zr containing point defects such as vacancies or self-interstitial atoms (SIAs) is simulated using molecular dynamics. Point defects rapidly aggregate to form extended defects, such as 3D nanoclusters and Frank loops. The geometry of extended defects is affected by the presence of tritium. At low temperature and in the absence of tritium, vacancies aggregate to form stacking fault pyramids. Addition of tritium at these temperatures promotes aggregation of vacancies to form 3D nanoclusters, within which the tritium concentration can be sufficiently high to suggest that these defects may serve as nucleation sites for hydride precipitation. Trapping of tritium in vacancy nanocluster reduces the calculated bulk diffusivity by an amount proportional to the vacancy concentration. At high temperature, vacancy clusters change shape to form planar basal dislocation loops, which bind tritium less strongly, leading to a sharp reduction in the fraction of trapped tritium and a corresponding increase in tritium diffusivity at high temperature. In contrast, SIAs increase tritium diffusion through α-Zr. Analysis of atomic trajectories shows that tritium does not interact directly with SIAs. In conclusion, diffusion enhancement is instead related to expansion of the lattice.

36 MATERIALS SCIENCE↗
DOE OSTI2022

($\mathrm{INVITED}$)Counter-ion effect on the diffusion behavior of $\mathrm{Y}$b, $\mathrm{L}$u, and $\mathrm{N}$d ions in $\mathrm{YAG}$ transparent ceramics

The ability to fabricate additively manufactured laser waveguides with sharp dopant concentration interfaces is limited by diffusion of the dopants at the temperatures required to fully densify the material. Compositional analysis of bilayer samples, where each layer was either undoped YAG or YAG doped with Yb, Lu, or Nd, were fabricated such that all combinations were available for testing. Samples were fabricated at both 1750°C and 1850°C to determine the diffusion behavior of each dopant alone and also in the presence of a second dopant. It was found that the experimental concentration profiles exhibited both intragranular (bulk) and grain boundary contributions, and thus fitting to a complementary error function equation required the use of two diffusion coefficients. Nd always diffused further along grain boundaries than the other dopants, due in part to its small segregation coefficient in YAG. It is shown that the presence of Nd as a counter dopant inhibits intragranular diffusion of other dopants while enhancing their grain boundary diffusion. All the observed trends were attributed to a combination of intragranular lattice strain due to: dopant ions replacing yttrium substitutionally, the relative driving forces for the segregation of dopant ions to grain boundaries, and the ability of one dopant to affect the diffusion of a different dopant in the other direction to maintain charge neutrality.

36 MATERIALS SCIENCE↗