An ab initio Driven Model for the Trapping and Diffusion of Hydrogen in Fe Cr Ni Alloys
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Thomas, Patrick R.↗
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Diffusion Behavior of Oversized Fission Products in bcc Fe Cladding: A First-Principles Study
Fuel-Cladding Chemical Interaction (FCCI) poses significant challenges in nuclear reactors, where fission products from nuclear fuel interact with Fe-based cladding materials, potentially compromising their structural integrity. This study investigates the diffusion behavior of oversized fission products, Pr, Nd, Ce, and La, within bcc Fe cladding using density functional theory (DFT), nudged elastic band (NEB) method, and self-consistent mean field (SCMF) theory. Our results reveal significant long-range vacancy binding energies, particularly up to the 6th nearest neighbor, with La exhibiting the strongest binding affinity, followed by Nd, Ce, and Pr. The NEB calculations indicate significant high barriers for the dissociation of 1nn vacancy-solute pairs for all fission products. The tracer diffusion coefficients of these fission products was derived in Arrhenius form. The significant trapping effect of vacancies by a very dilute amount of fission products reduces vacancy mobility, leading to an oversaturation of point defects, void nucleation, and swelling. These are critical issues for irradiated cladding materials. The tracer diffusion coefficients indicate that Nd diffuses the fastest, followed by La, Ce, and Pr. This study provides essential insights for developing advanced cladding materials and design strategies to mitigate FCCI, ultimately enhancing nuclear reactor safety and performance.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Fiber-Coupled Multipass NIR Sensor for In Situ, Real-Time Water Vapor Outgassing Monitoring
This work presents the recent development of a fiber-coupled multipass near-infrared (NIR) gas sensor used to monitor water vapor desorption of small material coupons. The gas sensor design employs a White cell topology to maximize the optical path length over a compact, hand-size footprint. Water vapor concentrations are quantified over a large dynamic range by simultaneously applying wavelength modulation and tunable diode laser absorption spectroscopy techniques. A custom headspace optimized for material desorption experiments is assembled using commercially available vacuum chamber components. We provide in situ measurements of water vapor desorption from two geometries of the industrially important silicone elastomer Sylgard-184 as a case study for sensor viability. To corroborate the results, the gas sensor data are compared to numerical simulations based on a triple-mode diffusion–sorption model, consisting of Henry, Langmuir, and Pooling modes.
gas sensor↗
V&V for turbulent mixing in the intermediate asymptotic regime
Turbulent fluid flow interacts nonlinearly with a number of processes, including reactive flow (chemistry), radiation, and the transport of particles embedded in the flow. Subgrid scale modeling of these nonlinear processes is a major challenge to computational science. To this end, turbulent mixing of dissimilar fluids is a driver. Here we study validation issues for a class of turbulent mixing simulations. In previous work, we have obtained agreement between simulation and experiment. The present paper addresses a remaining issue, the role of meniscus related boundary effects for immiscible fluids in the validation process. Validation and even verification has been controversial for turbulent mixing flows, as commonly used numerical models are diffusive and the resulting numerical diffusion modifies the parameters of the problem and its solution. Additionally, numerical diffusion of concentration and temperature is well documented in the scientific literature for Eulerian simulations. Lagrangian simulations, which might appear to avoid this problem, are subject to mesh tangling, ensuing regridding and use of Arbitrary Lagrangian Eulerian codes to substitute for a pure Lagrangian algorithm. In practice, Lagrangian methods are potentially subject to the same numerical diffusion issues when used to study complex interface instabilities.
97 MATHEMATICS AND COMPUTING↗
Energy Research and Forecasting (ERF) v1
ERF is a next-generation regional atmospheric modeling code for simulation mesoscale atmospheric flows. Its capabilities include the ability to model advection, diffusion, turbulence, terrain and moisture physics.
Almgren, Ann↗
Lorentz model and time-dependent diffusion.
Time dependent diffusion of light particles of Lorentz fluid approximated by Boltzmann equation leading to microscopic telegrapher equation
Hollinger, H. B.↗
The daytime upper ionosphere of Venus
Venus daytime upper ionosphere observations by mariner 5 in terms of ionization sources and sinks, ambipolar diffusion and model atmospheres
Whitten, R. C.↗
Radiative Extinguishment of Diffusion Flames at Zero Gravity
Radiative heat transfer effects on small fires in zero gravity spacecraft and free falling chamber environments from diffusion flame models
Bonne, U.↗
On the exospheric temperature of hydrogen-dominated planetary atmospheres.
Results of studies of hydrogen-dominated atmospheres in which exospheric temperatures were calculated to estimate the evaporative loss rates of the constituents. Expressions are given for the exospheric temperature of a two-component diffusive equilibrium model which consists of a lighter molecule dominating the thermosphere and absorbing solar EUV, and a heavier constituent providing radiative cooling in the vicinity of the mesopause. The model approximates well the assumed atmospheres, but the resulting expressions may have wider application. The dynamics of an expanding atmosphere are discussed. A three-dimensional outflow against the back pressure of the solar wind may be configured like a comet's tail.
Gross, S. H.↗
Thermotransport in liquid aluminum-copper alloys
A thermotransport study was made on a series of liquid aluminum-copper alloys which contained from trace amounts to 33 weight percent copper. The samples in the form of narrow capillaries were held in known temperature gradient of thermotransport apparatus until the stationary state was reached. The samples were analyzed for the concentration of copper along the length. Copper was observed to migrate to the colder regions in all the samples. The heat of transport, Q*, was determined for each composition from a plot of concentration of copper versus reciprocal absolute temperature. The value of Q* is the highest at trace amounts of copper (4850 cal/gm-atom), but decreases with increasing concentration of copper and levels off to 2550 cal/gm-atom at about 25 weight percent copper. The results are explained on the basis of electron-solute interaction and a gas model of diffusion.
Bhat, B. N.↗
Generation and propagation of electromagnetic waves in the magnetosphere
Characteristics of broadband ELF, VLF, and LF emissions in the magnetosphere were calculated assuming incoherent Cerenkov radiation from magnetospheric electrons with energies from 50 eV to 50 keV. Calculations were included to determine the ray paths of the emitted waves. A diffusive equilibrium model of the magnetosphere with an ionosphere, plasmapause, and a centered dipole magnetic field was used. Ray path calculations were done in three dimensions. Using simultaneous energetic electron and VLF data, comparisons were made between calculated and observed VLF hiss. Assuming a wave normal angle six degrees from the resonance cone angle, the calculated spectral densities are both two orders of magnitude below the observed spectral densities. It seems unlikely that VLF hiss is produced by incoherent Cerenkov radiation. The observed spectral shape of V-shaped VLF hiss is similar to that calculated from incoherent Cerenkov radiation.
Taylor, W. W. L.↗
Observations of the He II 304-A radiation in the night sky.
The intensity and spatial variations of the He II 304-A radiation in the night sky were measured to an altitude of 264 km from a sounding rocket launched from Thumba, India, on Mar. 10, 1970. The data obtained are presented in the form of an all-sky map and are compared with theoretical predictions. The data are not consistent either with diffusive equilibrium models of exospheric helium or with plausible models of helium in the interplanetary medium. The data can be fit with a constant-density plasmasphere model bounded at the magnetic shell L = 4 in combination with a tenuous gas of helium ions in the plasma sheet. Numerical results obtained with this model are compared with in situ satellite observations.
Paresce, F.↗
Evidence for X-ray emission from flare stars observed by ANS
Observations that detected the first X-ray emission from flare stars are described. An X-ray flare was detected from YZ CMi at 0.28 keV and approximately 1-7 keV, although no optical or radio coverage was available. During a very large optical flare from UV Ceti, X-ray emission at (only) 0.28 keV was detected. Upper limits for X-ray emission from several small optical flares of UV Ceti are presented. Implications for X-ray flare models, the diffuse X-ray background, and low-energy cosmic-ray flux are mentioned.
Heise, J.↗
Observations of X-rays from flare stars with ANS
Observations during which X-ray emission from flare stars was detected for the first time, are described. An X-ray flare was detected from YZ CMi at 0.28 keV and 1-7 keV, although no optical or radio coverage was available. During a very large optical flare from UV Ceti, X-ray emission at 0.28 keV only was detected. Upper limits for X-ray emission from several small optical flares of UV Ceti are obtained. Implications for X-ray flare models, the diffuse X-ray background, and low-energy cosmic-ray flux are examined.
Grindlay, J.↗
Molecular oxygen measurements at 200 km from AE-D near winter solstice, 1975
Utilizing the fly-through mode, the open source neutral mass spectrometer on Atmosphere Explorer-D (AE-D) has measured O2 densities, as well as N2 densities and in situ neutral temperatures, at midmorning during winter solstice over the latitude range 90 degrees S to 90 degrees N. The expected seasonal variation in N2 was found at 200 km together with a more complex behavior in molecular oxygen than might be expected from a diffusive equilibrium model with constant lower boundary values. Under geomagnetically quiet conditions the equatorial 200 km value of O2 was about 1.7 x 10 to the 8th/cu cm. A local maximum in the 200 km O2 densities was found near 70 degrees N, where an average quiet time value was 2.5 x 10 to the 8th/cu cm, implying a 120 km density of 8.3 x 10 to the 10th/cu cm. The in situ temperature measurements confirm the presence of higher temperatures near 70 degrees N latitude, even during geomagnetically quiet conditions.
Kayser, D. C.↗
The reaction Cl + H2CO yields HCl + HCO: Decreased sensitivity of stratospheric ozone to chlorine perturbations
The absolute rate constant for the reaction Cl + H2CO yields HCl + HCO was determined by the flash-photolysis resonance fluorescence method to be 7.5 plus or minus 0.9 (2 sigma) times 10 to the minus 11th power cu cm/molecule sec at 298 K and to have a negligible temperature dependence. This rate which is more than 2000 times faster than the rate of Cl + CH4 indicates that formaldehyde (H2CO) will compete significantly with methane (CH4) for the conversion of active chlorine in the stratosphere to the inactive reservoir HCl. Chlorine will thus be a less efficient destroyer of stratosphere ozone than previously believed. Ambient stratospheric ozone will depend less on the ambient chlorine amount and the predicted response to chlorine perturbations will be lessened. One-dimensional eddy-diffusion photochemical model calculations indicate a factor of 1.1 less sensitivity to chlorine than recently reported. For a steady-state CFM release at 1975 rates (750,000 tons/year) the eventual ozone depletion is now calculated to be 14%.
Stief, L. J.↗
An image based information system - Architecture for correlating satellite and topological data bases
The paper describes the development of an image based information system and its use to process a Landsat thematic map showing land use or land cover in conjunction with a census tract polygon file to produce a tabulation of land use acreages per census tract. The system permits the efficient cross-tabulation of two or more geo-coded data sets, thereby setting the stage for the practical implementation of models of diffusion processes or cellular transformation. Characteristics of geographic information systems are considered, and functional requirements, such as data management, geocoding, image data management, and data analysis are discussed. The system is described, and the potentialities of its use are examined.
Bryant, N. A.↗
Kinetics data for diffusion of outgas species from RTV 560
A detailed analytical and experimental study was made of the outgassing behavior of RTV 560 silicone rubber. The four outgas species which predominate in the temperature range of 285 K to 425 K were separately identified. The initial concentration of these species in the parent material and their bulk volatilities were determined. The diffusion coefficients and activation energy for diffusion of the two major species were deduced from outgassing rate data. It is shown that by using these data in a diffusion theory model, the outgassing rates of these major species can be predicted for arbitrary geometry and any temperature within the range studied.
Liu, C. K.↗