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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

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↗
NASA NTRS1981

The role of magnetic helicity in cosmic ray transport theory

The pitch angle scattering of cosmic ray is modified greatly if the medium through which they propagate contains significant amounts of magnetic helicity. When helicity is present in the medium, the often used expression for the pitch angle diffusion coefficient derived from quasilinear theory must be modified. These modifications are illustrated for slab and isotropic symmetries. Using measurements of helicity in the solar wind determined from single point measurements of the correlation tensor of magnetic fluctuations obtained from Voyager 2, the effects of the observed helicity on both the pitch angle and spatial diffusion coefficients are estimated.

Goldstein, M. L.↗
DOE OSTI2021

Generation of mean flows in rotating anisotropic turbulence: The case of solar near-surface shear layer

Results from helioseismology indicate that the radial gradient of the rotation rate in the near-surface shear layer (NSSL) of the Sun is independent of latitude and radius. Theoretical models using the mean-field approach have been successful in explaining this property of the NSSL, while global direct or large-eddy magnetoconvection models have so far been unable to reproduce this. We investigate the reason for this discrepancy by measuring the mean flows, Reynolds stress, and turbulent transport coefficients under conditions mimicking those in the solar NSSL. Simulations with as few ingredients as possible to generate mean flows were studied. These ingredients are inhomogeneity due to boundaries, anisotropic turbulence, and rotation. The parameters of the simulations were chosen such that they matched the weakly rotationally constrained NSSL. The simulations probe locally Cartesian patches of the star at a given depth and latitude. The depth of the patch was varied by changing the rotation rate such that the resulting Coriolis numbers covered the same range as in the NSSL. We measured the turbulent transport coefficient relevant for the nondiffusive (Λ-effect) and diffusive (turbulent viscosity) parts of the Reynolds stress and compared them with predictions of current mean-field theories. A negative radial gradient of the mean flow is generated only at the equator where meridional flows are absent. At other latitudes, the meridional flow is comparable to the mean flow corresponding to differential rotation. We also find that the meridional components of the Reynolds stress cannot be ignored. Additionally, we find that the turbulent viscosity is quenched by rotation by about 50% from the surface to the bottom of the NSSL. Our local simulations do not validate the explanation for the generation of the NSSL from mean-field theory where meridional flows and stresses are neglected. However, the rotational dependence of the turbulent viscosity in our simulations agrees well with theoretical predictions. Moreover, our results agree qualitatively with global convection simulations in that an NSSL can only be obtained near the equator.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1977

Plasma field characteristics of directional discontinuities in the interplanetary medium

The paper examines plasma and magnetic-field changes occurring across 1359 directional discontinuities taken from interplanetary data spanning almost four solar rotations. The plasma field characteristics of these events exhibit a distinct variation with large-scale solar-wind velocity. At low velocities, tangential discontinuities appear to predominate. At higher velocities, a substantial and increasing fraction of directional discontinuities exhibits the plasma field properties expected of outwardly propagating rotational discontinuities. The results of Sari (1972, 1975) and of the present study suggest that in the calculation of propagation diffusion coefficients for low-energy cosmic rays, the effects of directional discontinuities should be subtracted from the magnetic fluctuation spectrum during relatively quiet wind conditions. It is not clear that such subtraction is necessary during more disturbed periods.

Solodyna, C. V.↗
NASA NTRS1980

Modification of the flow pass method as applied to problems of chemistry of planet atmospheres

It was shown that the modified flow pass method possesses considerable effectiveness, both in the case when the coefficient of diffusion changes severely in the examined region and in the case when diffusion is the prevalent process, as compared with chemical reactions. The case when a regular pass proves inapplicable, or applicable in a limited interval of the decisive parameters, was examined.

Parshev, V. A.↗
NASA NTRS1994

Particle Distribution in Suspension Shear Flow

An earlier proposed constitutive relation for normal stresses originated by random particle fluctuations is used to describe a joint effect of thermal and shear-induced fluctuations on concentrational distributions in suspension flow. Averaged products of components of the fluctuation velocity are evaluated on a basis of the rational mechanics approach combined with a simple kinematic consideration. The equation of momentum conservation of the dispersed phase of a suspension closed with this constitutive relation is applied to unidirectional shear flow in the gravity field and to rotational Couette flow. Coupling of the thermal and shear-induced fluctuations results in that the ability of shear flow to suspend particles has a minimum at a certain particle size, all other things being equal. The developed model provides also for a reasonable explanation of particle distributions observed in Couette flow. The approach based on the consideration of momentum balance for the dispersed phase is proved to lead to an effective equation of convective diffusion of the suspended particles. Coefficients of mutual diffusion due to both thermal and shear-induced fluctuations are drastically different from corresponding self-diffusivities as regards both their scaling and their concentrational dependence.

Buyevich, Yu A.↗
NASA NTRS2002

Effects of Lateral Plasma Density and Temperature Diffusion on VCSEL Performance

The hydrodynamic model is further verified by applying to a gain-guided single mode VCSEL. DC effects of D(sub NN): (1) increase threshold current J(sub th) and decrease slope efficiency; (2) within the studied range (50% pumping within threshold and realistic diffusion coefficient for a single mode), the L-I relation scales with the relative Injection current (J/J(sub th) - 1). AC effects of D(sub NN): (1) decrease spectral bandwidth and responsivity of direct-current modulation; (2) within the studied range, the frequency response follows the same formal dependence as predicted without diffusion and under a linear gain model, while the resonant frequency position similarly scales with the relative injection current; (3) therefore, it is concluded that the AC effects of D(sub NN) is purely of static nature and reflected via its influence on ot and J(sub th). Within this study, the nonlinear effects of D(sub NN) are mostly reproducible with an equivalent constant diffusion coefficient.

Li, Jian-Zhong↗
DOE OSTI2024

In-Situ and Ex-Situ Studies on the Morphology Changes of Polymer Pipeline Materials for Use in Hydrogen Gas Environments

The US natural gas infrastructure is a national asset that could be used to deliver hydrogen and hydrogen blends of natural gas as a pathway to reduce carbon emissions. The distribution system comprises nearly 50% plastic pipe composed of medium- and high-density polyethylene materials (MDPE and HDPE). While these materials perform adequately for natural gas, research on their hydrogen compatibility is essential to understand if any immediate and long-term risks are associated with hydrogen addition. The Blended Gas CRADA, a HyBlend project, has established a comprehensive test method for evaluating MDPE and HDPE of various plastic resin compositions of pipeline material in pure hydrogen and 20% hydrogen/80% methane blends. Both in-situ and ex-situ measurements were performed to capture hydrogen-induced changes in the polyethylene material's crystalline, amorphous and their interphase regions. We investigated MDPE and HDPE pipeline materials made from different polymer resin systems to evaluate the effects of hydrogen gas. The materials were characterized by their density, diffusion coefficient, free volume ratio, and degree of crystallinity. Various advanced characterization methods, including in situ NMR, ex situ XRD, ex situ DSC, and ex situ TDA, were used to analyze the effects of changes in crystalline, amorphous, and interphase regions due to gas exposure. Time-dependent post-decompression quasi-static tensile tests were conducted to explore the effects of gas exposure time on the mechanical behavior of the pipe materials. This work will highlight the time sensitivities during and after gas exposure. The correlation between gas-induced polyethylene morphology changes and the associated material performance will be addressed for the intended applications. These studies will show that polyethylene resin composition and material exposure are important factors when considering whether hydrogen gas affects pipeline materials positively or negatively.

Simmons, Kevin L.↗
NASA NTRS1977

A determination of the L dependence of the radial diffusion coefficient for protons in Jupiter's inner magnetosphere

In a previous paper (Thomsen et al., 1977), a technique was proposed for estimating the radial diffusion coefficient (n) in the inner magnetosphere of Jupiter from the observations of the sweeping effect of the inner Jovian satellites on the fluxes of the energetic charged particles. The present paper extends this technique to permit the unique identification of the parameters D sub O and n, where the diffusion coefficient is assumed to be of the form D = D sub O L to the nth. The derived value of D sub O depends directly on assumptions regarding the nature and efficiency of the loss mechanism operating on the particles, while the value of n depends only on the assumed width of the loss region. The extended technique is applied to the University of Iowa Pioneer 11 proton data, leading to values of n of about O and D(6) of about 3 x 10 to the -8th (R sub J)-squared/sec, when satellite sweepup losses are assumed to be the only loss operating on the protons. The small value of n is strong evidence that the radial diffusion is driven by ionospheric winds.

Thomsen, M. F.↗
DOE OSTI2021

Molecular dynamics simulation of the effect of cooling rate on the structure and properties of lithium disilicate glass

The effects of cooling rate on the structure and properties of lithium disilicate (LS2) glass are investigated using molecular dynamics (MD) computer simulations. The evolution of structural features such as pair distribution function, bond angle distribution, and Li coordination distribution are determined, and correlated with dynamic and static properties to elucidate the effects of cooling rate. The density, elastic moduli, and diffusion coefficient are found to be highly sensitive to cooling rate, whereas the Si pair distribution function and bond angle distribution are weakly affected by the cooling rate. Additionally, the changes of Si-O-Si bond angle and Li coordination number suggest the formation of Li cluster at lower cooling rates. Furthermore, by comparing results from other simulations and reported experiments, we confirm that the increase of cooling rate leads to an increase of conductivity and a decrease of density. Finally, at very high cooling rates, we find that all the atoms in LS2-glass do not relax simultaneously, but do so in two distinct configurations.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Laser inhibited diffusion in rhodamine-ethanol solutions

The diffusion of rhodamine-6G dye in ethanol is observed to be inhibited by optical pumping by a cadmium laser. The diffusion process is observed as a function of the solution temperature. The relative difference in diffusion coefficients with and without optical pumping is calculated. The effect is interpreted as being due to a stronger solvent-dye interaction in the first excited singlet state of rhodamine-6G.

Lawandy, N. M.↗
NASA NTRS1982

An electrochemical study of Ni/2+/, Co/2+/, and Zn/2+/ ions in melts of composition CaMgSi2O6

Results are reported for a study of the behavior of Ni(2+), Co(2+), and Zn(2+) in molten diopside, determined by cyclic voltametry, as a first step in adapting electrochemical methods for use in experimental geochemistry. The techniques used are described, the theory is briefly discussed, and it is demonstrated that Ni(2+), Co(2+), and Zn(2+) can be reduced, then reoxidized in an uncomplicated case of reversible charge transfer at the Pt electrode. This implies that the neutral metal atoms remain undissolved in the melt. The kinetics of the reduction process, the effects of concentration, the standard reduction potentials, and the diffusion coefficients are discussed in detail. The observations are consistent with the mechanism of Ni(2+) diffusion by transport from site to site. As the proportion of SiO2 in the melt increases, a higher activation energy is required for Ni(2+) to move, and the rate of diffusion is lowered.

Semkow, K. W.↗
NASA NTRS1992

Viscous and inertial effects at cosmic-ray shocks

To illustrate the effect of the viscous and inertial terms on the structure of cosmic-ray-modified shocks, an analysis of a time-independent 1D shock is presented in which the pressure of the background fluid and the magnetic-field energy density are negligible compared with the cosmic-ray pressure. The effect of the magnetic field on cosmic-ray transport coefficients is retained. The diffusion, viscous and inertial terms work to 'thicken' the shock. When the average magnetic field is negligible and the cosmic-ray transport is isotropic, diffusion is the dominant effect unless the parameters are such that the scattering time becomes comparable to the characteristic times for velocity change in the fluid frame. For a perpendicular shock, where the diffusion is strongly reduced by the magnetic field, the relative magnitude of the viscous effect is increased by a factor about (omega tau) exp 2, leading to the conclusion that cosmic-ray viscosity can be important to the structure of collisionless MHD shocks. In both cases considered, the viscous and inertial terms become important for those parameter ranges where the diffusion approximation begins to break down.

Jokipii, J. R.↗
NASA NTRS1987

Tidal influences on vertical diffusion and diurnal variability of ozone in the mesosphere

Possible dynamical influences on the diurnal behavior of ozone are investigated. A time dependent one-dimensional photochemical model is developed for this purpose; all model calculations are made at 70 deg N during summer. It is shown that the vertical diffusion can vary as much as 1 order of magnitude within a day as a result of large changes in the zonal wind induced by atmospheric thermal tides. It is found that by introducing a dissipation time scale for turbulence produced by breaking gravity waves, the agreement with Poker Flat echo data is improved. Comparisons of results from photochemical model calculations, where the vertical diffusion is a function of height only, with those in which the vertical diffusion coefficient is changing in time show large differences in the diurnal behavior of ozone between 70 and 90 km. By including the dynamical effect, much better agreement with the Solar Mesosphere Explorers data is obtained. The results are, however, sensitive to the background zonally averaged wind. The influence of including time-varying vertical diffusion coefficient on the OH densities is also large, especially between 80 and 90 km. This suggests that dynamical effects are important in determining the diurnal behavior of the airglow emission from the Meinel bands.

Bjarnason, Gudmundur G.↗
NASA NTRS1974

Further analysis of field effects on liquids and solidification. Study of the liquid-solid transition for materials processing in space

Expressions for diffusion coefficient, D, and solidification rate, Uc, from the free volume model of liquids developed by Turnbull and Cohen have been used to estimate the effects which microgravity and magnetic fields will have on these quantities. The mathematical formalism describing changes in D and Uc is the same for both the microgravity and magnetic field cases, but the difference between the magnitudes of the two effects is quite large. The change in D and Uc is found to be less than 0.0001% for the microgravity case and on the order of 0.1 to 1.1% for the magnetic field case for four representative materials. D and Uc are found to increase under the influence of an applied magnetic field, and this is in agreement with experimental observations.

Seiler, R. F.↗