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DOE OSTI2021

Seismic Diffusivity and the Influence of Heterogeneity on Injection‐Induced Seismicity

Abstract The spatiotemporal patterns of injection‐induced seismicity (IIS) are commonly interpreted with the concept of a triggering front, which propagates in a diffusion‐like manner with an associated diffusivity parameter. Here, we refer to this diffusivity as the “seismic diffusivity.” Several previous studies implicitly assume that seismic diffusivity is equivalent to the effective hydraulic diffusivity of the subsurface, which describes the behavior of the mean pressure field in heterogeneous porous media. Seismicity‐based approaches for hydraulic characterization or simulations of IIS using domains of homogeneous equivalent porous media are implicitly based on this assumed equivalence. However, seismicity is expected to propagate with the threshold triggering pressure, and thus not be controlled by the evolution of the mean pressure field. We present numerical simulations of fluid injection to compare the seismic and effective hydraulic diffusivities in heterogeneous formations (including fractured rock). The numerical model combines uncoupled, linear pressure diffusion with the Mohr‐Coulomb failure criterion to simulate IIS. We demonstrate that connected pathways of relatively high hydraulic diffusivity in heterogeneous media (particularly in fractured rock domains) allow the threshold triggering pressure to propagate more rapidly than predicted by the effective hydraulic diffusivity. As a result, the seismic diffusivity is greater than the effective hydraulic diffusivity in heterogeneous porous media, possibly by an order of magnitude or more. Additionally, we present a case study of IIS near Soultz‐sous‐Forêts where seismic diffusivity is found to be at least one order of magnitude larger than the effective hydraulic diffusivity.

Haagenson, Ryan↗

DOE OSTI2022

Oxygen diffusion in garnet: Experimental calibration and implications for timescales of metamorphic processes and retention of primary O isotopic signatures

Knowledge of oxygen diffusion in garnet is crucial for a correct interpretation of oxygen isotope signatures in natural samples. A series of experiments was undertaken to determine the diffusivity of oxygen in garnet, which remains poorly constrained. The first suite included high-pressure (HP), nominally dry experiments performed in piston-cylinder apparatus at: (1) T = 1050–1600 °C and P = 1.5 GPa and (2) T = 1500 °C and P = 2.5 GPa using yttrium aluminum garnet (YAG; Y3Al5O12) cubes. Second, HP H2O-saturated experiments were conducted at T = 900 °C and P = 1.0–1.5 GPa, wherein YAG crystals were packed into a YAG + Corundum powder, along with 18O-enriched H2O. Third, 1 atm experiments with YAG cubes were performed in a gas-mixing furnace at T = 1500–1600 °C under Ar flux. Finally, an experiment at T = 900 °C and P = 1.0 GPa was done using a pyrope cube embedded into pyrope powder and 18O-enriched H2O. Experiments using grossular were not successful. Profiles of 18O/(18O+16O) in the experimental charges were analyzed with three different secondary ion mass spectrometers (SIMS): sensitive high-resolution ion microprobe (SHRIMP II and SI), CAMECA IMS-1280, and NanoSIMS. Considering only the measured length of 18O diffusion profiles, similar results were obtained for YAG and pyrope annealed at 900 °C, suggesting limited effects of chemical composition on oxygen diffusivity. However, in both garnet types, several profiles deviate from the error function geometry, suggesting that the behavior of O in garnet cannot be fully described as simple concentration-independent diffusion, certainly in YAG and likely in natural pyrope as well. The experimental results are better described by invoking O diffusion via two distinct pathways with an inter-site reaction allowing O to move between these pathways. Modeling this process yields two diffusion coefficients (D values) for O, one of which is approximately two orders of magnitude higher than the other. Taken together, Arrhenius relationships are:logDm2s-1=-7.2(±1.3)+(-321(±32)kJmol-12.303RT) for the slow pathway, andlogDm2s-1=-5.4(±0.7)+(-321(±20)kJmol-12.303RT) for the fast pathway. We interpret the two pathways as representing diffusion following vacancy and inter-stitial mechanisms, respectively. Regardless, our new data suggest that the slow mechanism is prevalent in garnet with natural compositions, and thus is likely to control the retentivity of oxygen isotopic signatures in natural samples. The diffusivity of oxygen is similar to Fe-Mn diffusivity in garnet at 1000–1100 °C and Ca diffusivity at 850 °C. However, the activation energy for O diffusion is larger, leading to lower diffusivities at P-T conditions characterizing crustal metamorphism. Therefore, original O isotopic signatures can be retained in garnets showing major element zoning partially re-equilibrated by diffusion, with the uncertainty caveat of extrapolating the experimental data to lower temperature conditions.

Geochemistry & Geophysics↗

NASA NTRS1974

Boundary-layer analysis of subsonic inlet diffuser geometries for engines nacelles

Theoretical Mach number distributions and boundary-layer parameters are presented for subsonic nacelle inlet diffuser geometries with length to exit diameter ratios ranging from 0.4 to 1.6 and diffuser exit area to throat area ratios ranging from 1.1 to 2.0. The major portion of the study was done with a cubic diffuser contour with the inflection point at the midpoint of the diffuser, a diffuser throat Mach number of 0.6, and a free-stream Mach number of 0.12. Calculations were performed at both model (diffuser exit diameter, 30.5 cm) and full-scale (diffuser exit diameter, 183 cm) sizes. Separation limits were defined by establishing a separation boundary on plots of diffuser area ratio as a function of diffuser length to diameter ratio. The effects of diffuser contour, inlet lip geometry, and throat Mach number on the boundary-layer characteristics are illustrated. The major results of the study indicate that the separation boundary is shifted to greater area ratios by (1) increasing the diffuser length, (2) increasing the scale of the diffuser and, (3) moving the inflection point of the diffuser contour to or ahead of the midpoint of the diffuser.

Albers, J. A.↗

NASA NTRS1993

Irradiance calibration with solar diffuser

The sun's energy is used in combination of movable and fixed diffuser plates, windows and apertures which are positioned in a series of test sequences (modes) for reflectance monitoring and calibration without the use of man-made sources. There are three embodiments, or implementations, of the invention--one embodiment uses two diffusers--a working diffuser and a secondary diffuser--the second embodiment uses three diffusers, a working diffuser, a secondary diffuser and a reference diffuser--and the third embodiment uses two diffusers--a working diffuser and a secondary diffuser, the latter also functioning as a cover for the working diffuser. The movable diffusers are mounted on rotatable cones and, in all embodiments, the sun is blocked from reaching the diffusers when not in use. Thus, the sun is used as a stable source for calibration and monitoring and the sun/diffuser combination is used in such a way that the response of all elements of the optical subsystem of the TOMS can be unambiguously and efficiently characterized with high accuracy and precision.

Haring, Robert E.↗

NASA NTRS2014

Spring 2014 Internship Diffuser Data Analysis

J-2X engine testing on the A-2 test stand at the NASA John C. Stennis Space Center (SSC) has recently concluded. As part of that test campaign, the engine was operated at lower power levels in support of expanding the use of J-2X to other missions. However, the A-2 diffuser was not designed for engine testing at the proposed low power levels. To evaluate the risk of damage to the diffuser, computer simulations were created of the rocket engine exhaust plume inside the 50ft long, water-cooled, altitude-simulating diffuser. The simulations predicted that low power level testing would cause the plume to oscillate in the lower sections of the diffuser. This can possibly cause excessive vibrations, stress, and heat transfer from the plume to the diffuser walls. To understand and assess the performance of the diffuser during low power level engine testing, nine accelerometers and four strain gages were installed around the outer surface of the diffuser. The added instrumentation also allowed for the verification of the rocket exhaust plume computational model. Prior to engine hot-fire testing, a diffuser water-flow test was conducted to verify the proper operation of the newly installed instrumentation. Subsequently, two J-2X engine hot-fire tests were completed. Hot-Fire Test 1 was 11.5 seconds in duration, and accelerometer and strain data verified that the rocket engine plume oscillated in the lower sections of the diffuser. The accelerometers showed very different results dependent upon location. The diffuser consists of four sections, with Section 1 being closest to the engine nozzle and Section 4 being farthest from the engine nozzle. Section 1 accelerometers showed increased amplitudes at startup and shutdown, but low amplitudes while the diffuser was started. Section 3 accelerometers showed the opposite results with near zero G amplitudes prior to and after diffuser start and peak amplitudes to +/- 100G while the diffuser was started. Hot-Fire Test 1 strain gages showed different data dependent on section. Section 1 strains were small, and were in the range of 50 to 150 microstrain, which would result in stresses from 1.45 to 4.35 ksi. The yield stress of the material, A-285 Grade C Steel, is 29.7 ksi. Section 4 strain gages showed much higher values with strains peaking at 1600 microstrain. This strain corresponds to a stress of 46.41 ksi, which is in excess of the yield stress, but below the ultimate stress of 55 to 75 ksi. The decreased accelerations and strain in Section 1, and the increased accelerations and strain in Sections 3 and 4 verified the computer simulation prediction of increased plume oscillations in the lower sections of the diffuser. Hot-Fire Test 2 ran for a duration of 125 seconds. The engine operated at a slightly higher power level than Hot-Fire Test 1 for the initial 35 seconds of the test. After 35 seconds the power level was lowered to Hot-Fire Test 1 levels. The acceleration and strain data for Hot-Fire Test 2 was similar during the initial part of the test. However, just prior to the engine being lowered to the Hot-Fire Test 1 power level, the strain gage data in Section 4 showed a large decrease to strains near zero microstrain from their peak at 1500 microstrain. Future work includes further strain and acceleration data analysis and evaluation.

Laigaie, Robert T.↗

DOE OSTI2022

Effect of charge and anisotropic diffusivity on ion exchange kinetics in nuclear waste form materials

Motifs of radionuclide absorption particles (absorbers or fillers) for the nuclear waste treatment usually have crystal structures with nano-sized tunnels for fast ion diffusion. On the other hand, the accumulation of ions generates an electric field which affects the ion diffusion. Therefore, the strong anisotropic kinetic properties and the electric field affect ion exchange kinetics, especially in an assembly of these particles which may block the fast diffusion tunnels for each other. In this work, we developed a mesoscale model to describe the effect of anisotropic kinetic properties and electric field on ion exchange kinetics. With the model we simulated the effect of anisotropic diffusivity, electrochemical potential, particle morphology, size and aggregation on ion exchange kinetics during batch experiments. Here, tt is found that 1) ion exchange results in charge accumulation inside the particle because different ions have different diffusivities and different diffusion driving forces. The electric neutrality is not preserved; 2) the electric field speeds up the slower diffusion ions (either uptake or release) and slows down the faster diffusion ions to reduce charge accumulation and maintains charge neutrality; 3) the ion exchange becomes very slow at the later stages because a) diffusion driving force (electrochemical gradient, Cs + concentration in the solution and Na + inside the particle) continuously decreases, as observed in batch experiments; and b) the diffusivity decreases due to the Cs + concentration dependence of ion diffusivity. This can explain the observed experimental phenomena that the radionuclide capacity usually cannot be reached; 4) for needle-like particle and their clusters, both surface area and diffusion distance along the direction with the fastest diffusivities have significant impact on the ion exchange kinetics.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Perturbative thermal diffusivity from partial sawtooth crashes in Alcator C-Mod

Perturbative thermal diffusivity has been measured on Alcator C-Mod via the use of the extended-time-to-peak method on heat pulses generated by partial sawtooth crashes. Perturbative thermal diffusivity governs the propagation of heat pulses through a plasma. It differs from power balance thermal diffusivity, which governs steady state thermal transport. Heat pulses generated by sawtooth crashes have been used extensively in the past to study heat pulse thermal diffusivity, but the details of the sawtooth event typically lead to non-diffusive 'ballistic' transport, making them an unreliable measure of perturbative diffusivity on many tokamaks. Partial sawteeth are common on numerous tokamaks, and generate a heat pulse without the 'ballistic' transport that often accompanies full sawteeth. This is the first application of the extended-time-to-peak method of diffusivity calculation to partial sawtooth crashes. Furthermore, this analysis was applied to over 50 C-Mod shots containing both L- and I-Mode. Results indicate correlations between perturbative diffusivity and confinement regime (L- versus I-mode), as well as correlations with local temperature, density, the associated gradients, and gradient scale lengths (a/L Te and a/L n ). In addition, diffusivities calculated from partial sawteeth are compared to perturbative diffusivities calculated with the nonlinear gyrokinetic code GYRO. We find that standard ion-scale simulations (ITG/TEM turbulence) under-predict the perturbative thermal diffusivity, but new multi-scale (ITG/TEM coupled with ETG) simulations can match the experimental perturbative diffusivity within error bars for an Alcator C-Mod L-mode plasma. Perturbative diffusivities extracted from heat pulses due to partial sawteeth provide a new constraint that can be used to validate gyrokinetic simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1993

Analytical and experimental studies of a short compact subsonic diffuser for a two-dimensional supersonic inlet

An experimental study of a two-dimensional supersonic inlet with a short compact subsonic diffuser, length to exit diameter (dl/d) ratio of 1.25, was conducted to investigate the impact of the short diffuser on inlet performance at low speeds and to assess the diffuser subsonic performance for a simulated diffuser flow corresponding to high-speed inlet conditions near the design flight Mach number of 2.2. For the low-speed testing, a drooped lip was employed to improve the inlet performance at a high angle of attack. For the simulated high-speed testing, air was blown through slots or discrete nozzles as an active boundary-layer control. The results from the low-speed performance test were compared with the results from a previous test program on the same inlet with a long subsonic diffuser (dl/d = 4.5). The comparison indicates that inlet recovery was not affected by the use of the short diffuser for either the baseline (no droop) or the drooped cowl lip configuration. However, the inlet baseline distortion for the short diffuser configuration was substantially higher than for the long diffuser. A comparison of the two configurations with a 70 deg drooped lip showed no significant difference in distortion. For the portion of the experimental program in which diffuser conditions for high-speed flight were simulated, diffuser-induced flow separation occurred. This separation was predicted from an analytical study that used the Hess potential flow panel method and the Herring two-dimensional boundary-layer analysis computer codes. The flow separated mainly on the diffuser ramp. Subsequent tests in which boundary-control systems were utilized showed that blowing with either slots or discrete nozzles could suppress the flow separation in the short subsonic diffuser, thereby substantially improving the diffuser performance.

Iek, Chanthy↗

NASA NTRS2000

Laminar Diffusion Flame Studies (Ground- and Space-Based Studies)

Laminar diffusion flames are of interest because they provide model flame systems that are far more tractable for analysis and experiments than more practical turbulent diffusion flames. Certainly, understanding flame processes within laminar diffusion flames must precede understanding these processes in more complex turbulent diffusion flames. In addition, many properties of laminar diffusion flames are directly relevant to turbulent diffusion flames using laminar flamelet concepts. Laminar jet diffusion flame shapes (luminous flame boundaries) have been of particular interest since the classical study of Burke and Schumann because they are a simple nonintrusive measurement that is convenient for evaluating flame structure predictions. Thus, consideration of laminar flame shapes is undertaken in the following, emphasizing conditions where effects of gravity are small, due to the importance of such conditions to practical applications. Another class of interesting properties of laminar diffusion flames are their laminar soot and smoke point properties (i.e., the flame length, fuel flow rate, characteristic residence time, etc., at the onset of soot appearance in the flame (the soot point) and the onset of soot emissions from the flame (the smoke point)). These are useful observable soot properties of nonpremixed flames because they provide a convenient means to rate several aspects of flame sooting properties: the relative propensity of various fuels to produce soot in flames; the relative effects of fuel structure, fuel dilution, flame temperature and ambient pressure on the soot appearance and emission properties of flames; the relative levels of continuum radiation from soot in flames; and effects of the intrusion of gravity (or buoyant motion) on emissions of soot from flames. An important motivation to define conditions for soot emissions is that observations of laminar jet diffusion flames in critical environments, e.g., space shuttle and space station facilities, cannot involve soot emitting flames in order to ensure that test chamber windows used for experimental observations are not blocked by soot deposits, thereby compromising unusually valuable experimental results. Another important motivation to define conditions where soot is present in diffusion flames is that flame chemistry, transport and radiation properties are vastly simplified when soot is absent, making such flames far more tractable for detailed numerical simulations than corresponding soot-containing flames. Motivated by these observations, the objectives of this phase of the investigation were as follows: (1) Observe flame-sheet shapes (the location of the reaction zone near phi=1) of nonluminous (soot free) laminar jet diffusion flames in both still and coflowing air and use these results to develop simplified models of flame-sheet shapes for these conditions; (2) Observe luminous flame boundaries of luminous (soot-containing) laminar jet diffusion flames in both still and coflowing air and use these results to develop simplified models of luminous flame boundaries for these conditions. In order to fix ideas here, maximum luminous flame boundaries at the laminar smoke point conditions were sought, i.e., luminous flame boundaries at the laminar smoke point; (3) Observe effects of coflow on laminar soot- and smoke-point conditions because coflow has been proposed as a means to control soot emissions and minimize the presence of soot in diffusion flames.

Dai, Z.↗

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 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

Diffusion of aromatic hydrocarbons in hierarchical mesoporous H-ZSM-5 zeolite

Hierarchical mesoporous zeolites exhibit higher catalytic activities and longer lifetime compared to the traditional microporous zeolites due to improved diffusivity of substrate molecules and their enhanced access to the zeolite active sites. Understanding diffusion of biomass pyrolysis vapors and their upgraded products in such materials is fundamentally important during catalytic fast pyrolysis (CFP) of lignocellulosic biomass, since diffusion makes major contribution to determine shape selectivity and product distribution. However, diffusivities of biomass relevant species in hierarchical mesoporous zeolites are poorly characterized, primarily due to the limitations of the available experimental technology. In this work, molecular dynamics (MD) simulations are utilized to investigate the diffusivities of several selected coke precursor molecules, benzene, naphthalene, and anthracene, in hierarchical mesoporous H-ZSM-5 zeolite. The effects of temperature and size of mesopores on the diffusivity of the chosen model compounds are examined. The simulation results demonstrate that diffusion within the microspores as well as on the external surface of mesoporous H-ZSM-5 dominates only at low temperature. At pyrolysis relevant temperatures, mass transfer is essentially conducted via diffusion along the mesopores. Furthermore, the results illustrate the heuristic diffusion model, such as the extensively used Knudsen diffusion, overestimates the diffusion of bulky molecules in the mesopores, thus making MD simulation a powerful and compulsory approach to explore diffusion in zeolites.

09 BIOMASS FUELS↗

DOE OSTI2017

Computing eddy-driven effective diffusivity using Lagrangian particles

A novel method to derive effective diffusivity from Lagrangian particle trajectory data sets is developed and then analyzed relative to particle-derived meridional diffusivity for eddy-driven mixing in an idealized circumpolar current. Quantitative standard dispersion- and transport-based mixing diagnostics are defined, compared and contrasted to motivate the computation and use of effective diffusivity derived from Lagrangian particles. We compute the effective diffusivity by first performing scalar transport on Lagrangian control areas using stored trajectories computed from online Lagrangian In-situ Global High-performance particle Tracking (LIGHT) using the Model for Prediction Across Scales Ocean (MPAS-O). Furthermore, the Lagrangian scalar transport scheme is compared against an Eulerian scalar transport scheme. Spatially-variable effective diffusivities are computed from resulting time-varying cumulative concentrations that vary as a function of cumulative area. The transport-based Eulerian and Lagrangian effective diffusivity diagnostics are found to be qualitatively consistent with the dispersion-based diffusivity. All diffusivity estimates show a region of increased subsurface diffusivity within the core of an idealized circumpolar current and results are within a factor of two of each other. The Eulerian and Lagrangian effective diffusivities are most similar; smaller and more spatially diffused values are obtained with the dispersion-based diffusivity computed with particle clusters.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Fast self-diffusion of ions in CH 3 NH 3 PbI 3 : the interstiticaly mechanism versus vacancy-assisted mechanism

The stability of organic-inorganic halide perovskites is a major challenge for their applications and has been extensively studied. Among the possible underlying reasons, ion self-diffusion has been inferred to play important roles. While theoretical studies congruously support that iodine is more mobile, experimental studies only observe the direct diffusion of the MA ion and possible diffusion of iodine. The discrepancy may result from the incomplete understanding of ion diffusion mechanisms. With the help of first-principles calculations, we studied ion diffusion in CH3NH3PbI3 (MAPbI3) through not only the vacancy-assisted mechanisms presumed in previous theoretical studies, but also the neglected interstiticaly mechanisms. We found that compared to the diffusion through the vacancy-assisted mechanism, MA ion diffusion through the interstiticaly mechanism has a much smaller barrier which could explain experimental observations. For iodine diffusion, both mechanisms can yield relatively small barriers. Depending on the growth conditions, defect densities of vacancies and interstitials can vary and so do the diffusion species as well as diffusion mechanisms. Our work thus supports that both MA and iodine ion diffusion could contribute to the performance instability of MAPbI3. While being congruous with experimental results, our work fills the research gap by providing a full understanding of ion diffusion in halide perovskites.

14 SOLAR ENERGY↗

DOE OSTI2016

METAL DIFFUSION IN SMOOTHED PARTICLE HYDRODYNAMICS SIMULATIONS OF DWARF GALAXIES

We perform a series of smoothed particle hydrodynamics simulations of isolated dwarf galaxies to compare different metal mixing models. In particular, we examine the role of diffusion in the production of enriched outflows and in determining the metallicity distributions of gas and stars. We investigate different diffusion strengths by changing the pre-factor of the diffusion coefficient, by varying how the diffusion coefficient is calculated from the local velocity distribution, and by varying whether the speed of sound is included as a velocity term. Stronger diffusion produces a tighter [O/Fe]–[Fe/H] distribution in the gas and cuts off the gas metallicity distribution function at lower metallicities. Diffusion suppresses the formation of low-metallicity stars, even with weak diffusion, and also strips metals from enriched outflows. This produces a remarkably tight correlation between “metal mass-loading” (mean metal outflow rate divided by mean metal production rate) and the strength of diffusion, even when the diffusion coefficient is calculated in different ways. The effectiveness of outflows at removing metals from dwarf galaxies and the metal distribution of the gas is thus dependent on the strength of diffusion. By contrast, we show that the metallicities of stars are not strongly dependent on the strength of diffusion, provided that some diffusion is present.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1962

Performance Evaluation of Fixed- and Variable-Area Rocket Exhaust Diffusers Using Single and Clustered Nozzles with and Without Gimbaling

An investigation of exhaust diffusers used for altitude simulation in testing rocket engines was conducted with model diffusers and gaseous nitrogen as the working fluid. This investigation was conducted to evaluate the effects on performance of gimbaling clustered nozzles in a single fixed-area exhaust diffuser. A two-nozzle cluster was gimbaled in all attitudes in four different exhaust-diffuser configurations: (1) a straight circular tube, (2) a straight figure-eight tube, (3) a circular tube with a second throat, and (4) a figure-eight tube with a second throat. Gimbaling clustered nozzles had little effect on the operating pressure ratio for either straight-tube or second-throat diffusers, but caused a large increase in the starting-pressure-ratio requirements in some straight-tube exhaust diffusers. The performance of two or four clustered nozzles with no gimbaling was compared with single-nozzle performance on the basis of the ratio of diffuser area to nozzle-throat area. The performance was found to be dependent on the diffuser- to nozzle-throat-area ratio and independent of both the number of primary nozzles and the nozzle-area ratio. A separate investigation was also conducted to evaluate the performance improvement obtainable with a variable-area exhaust diffuser. This type of diffuser achieved a 26-percent reduction in starting pressure ratio, a 40-percent reduction in operating pressure ratio, and a 50-percent reduction in the overall diffuser length over the values attainable with a fixed-area second-throat diffuser.

ROCKET↗

DOE OSTI2018

Methane Diffusion and Adsorption in Shale Rocks: A Numerical Study Using the Dusty Gas Model in TOUGH2/EOS7C-ECBM

Gas production from shale gas reservoirs plays a significant role in satisfying increasing energy demands. Compared with conventional sandstone and carbonate reservoirs, shale gas reservoirs are characterized by extremely low porosity, ultra-low permeability and high clay content. Slip flow, diffusion, adsorption and desorption are the primary gas transport processes in shale matrix, while Darcy flow is restricted to fractures. Understanding methane diffusion and adsorption, and gas flow and equilibrium in the low-permeability matrix of shale is crucial for shale formation evaluation and for predicting gas production. Modeling of diffusion in low-permeability shale rocks requires use of the Dusty gas model (DGM) rather than Fick’s law. The DGM is incorporated in the TOUGH2 module EOS7C-ECBM, a modified version of EOS7C that simulates multicomponent gas mixture transport in porous media. Also included in EOS7C-ECBM is the extended Langmuir model for adsorption and desorption of gases. In this study, a column shale model was constructed to simulate methane diffusion and adsorption through shale rocks. The process of binary CH 4 - N 2 diffusion and adsorption was analyzed. A sensitivity study was performed to investigate the effects of pressure, temperature and permeability on diffusion and adsorption in shale rocks. The results show that methane gas diffusion and adsorption in shale is a slow process of dynamic equilibrium, which can be illustrated by the slope of a curve in CH4mass variation. The amount of adsorption increases with the pressure increase at the low pressure, and the mass change by gas diffusion will decrease due to the decrease in the compressibility factor of the gas. With the elevated temperature, the gas molecules move faster and then the greater gas diffusion rates make the process duration shorter. The gas diffusion rate decreases with the permeability decrease, and there is a limit of gas diffusion if the permeability is less than 1.0×10 -15 m 2 . In conclusion, the results can provide insights for a better understanding of methane diffusion and adsorption in the shale rocks so as to optimize gas production performance of shale gas reservoirs.

04 OIL SHALES AND TAR SANDS↗

DOE OSTI2016

Dissociative diffusion mechanism in vacancy-rich materials according to mass action kinetics

We conducted two sets of diffusion-reaction numerical simulations using a finite difference method (FDM) in order to investigate fast impurity diffusion via interstitial sites in vacancy-rich materials such as Cu(In,Ga)Se 2 (CIGS) and Cu 2 ZnSn(S, Se) 4 (CZTSSe or CZTS) via the dissociative diffusion mechanism where the interstitial diffuser ultimately reacts with a vacancy to produce a substitutional. The first set of simulations extends the standard interstitial-limited dissociative diffusion theory to vacancy-rich material conditions where vacancies are annihilated in large amounts, introducing non-equilibrium vacancy concentration profiles. The second simulation set explores the vacancy-limited dissociative diffusion where impurity incorporation increases the equilibrium vacancy concentration. In addition to diffusion profiles of varying concentrations and shapes that were obtained in all simulations, some of the profiles can be fitted with the constant- and limited-source solutions of Fick’s second law despite the non-equilibrium condition induced by the interstitial-vacancy reaction. The first set of simulations reveals that the dissociative diffusion coefficient in vacancy-rich materials is inversely proportional to the initial vacancy concentration. In the second set of numerical simulations, impurity-induced changes in the vacancy concentration lead to distinctive diffusion profile shapes. The simulation results are also compared with published data of impurity diffusion in CIGS. And according to the characteristic properties of diffusion profiles from the two set of simulations, experimental detection of the dissociative diffusion mechanism in vacancy-rich materials may be possible.

36 MATERIALS SCIENCE↗