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Results for “effective diffusivity”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Analytical homogenization techniques applied to the Fickian diffusion: Effective diffusivity coefficient

For multiple applications in nuclear energy, the ability to accurately represent material behavior with a simplified model is important to facilitate practical engineering-scale simulations. In this work, we focus on the homogenized thermal response of a medium containing spherical inclusions, similar to a fuel form (compact or pebble) containing TRISO particles. An extensive survey on effective thermal conductivity modeling was performed in our previous study, considering a random distribution of mono-sized spherical inclusions in a continuous matrix. Using the analogy between heat conduction and the simplified Fickian diffusion (or fission product species conservation), we can use the same analytical homogenization methods to obtain ETC as for the effective diffusivity coefficient (EDC). We performed several numerical experiments at varying conditions to assess the validity of our hypothesis for EDC calculations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Graph-theoretical KMC Framework for Calculating Effective Diffusivity in TPBAR Components: Effective Diffusivity of Tritium in α-Zr Grain Boundaries

We report the development of a computer simulation tool based on the Graph-theoretical kinetic Monte Carlo (GT-KMC) approach that can be used to simulate diffusion and derive effective diffusivity of species in complex structures of TPBAR components. The GT-KMC framework was implemented in AKSOME, an on-lattice self-learning kinetic Monte Carlo tool developed at PNNL and was previously used to study solute diffusion in metal alloys. This newly developed tool will be helpful in simulating atom diffusion and extracting their effective diffusivities in grain boundaries and interfaces in various TPBAR components. Once benchmarked, the tool will be used to simulate the diffusion of tritium (hydrogen) along grain boundaries in α-Zr using the activation energy barrier data previously obtained from Density Functional Theory calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Atomistic and mesoscale simulations to determine effective diffusion coefficient of fission products in SiC

The silicon carbide (SiC) layer in tristructural isotropic (TRISO) particles serves as the barrier to prevent escape of fission products produced in the fuel kernel. Knowing the diffusion coefficient of fission products through SiC is critical to determining whether fission gas can escape from the particle. It has been observed in experiments that Ag accumulated in grain boundaries and triple junctions in SiC. It is hypothesized that grain boundary diffusion is the primary pathway by which fission products penetrate the SiC layer. In this report, the effective diffusion coefficient of the fission product Ag through the grain boundary network is calculated using a combination of atomistic and phase-field methods. The grain boundary diffusion coefficient is calculated using molecular dynamics simulations. The bulk diffusion coefficient is determined using a combination of density functional theory and nudged elastic band methods. An effective diffusion coefficient is calculated, accounting for the grain structure using a phase-field method. The effective diffusion coefficient will be incorporated into Bison and fission product release calculations are compared to available experimental data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1992

Effective diffusion equation in a random velocity field

The effects are studied of assumed random velocity fields on diffusion in a binary fluid. Random velocity fields can result, for example, from the high-frequency components of residual accelerations onboard spacecraft (often called g-jitter). An effective diffusion equation is derived for an average concentration which includes spatial and temporal correlations induced by the fluctuating velocity fields assumed to be Gaussianly distributed. The resulting equation becomes nonlocal, and if correlations between different components of the velocity field exist, it is also anisotropic. The simple limiting case of short correlation times is discussed and an effective diffusivity is obtained which reflects the enhanced mixing caused by the velocity fields. The results obtained in the limit of short correlation times are valid even if the probability distribution of the velocity field is not Gaussian.

Vinals, Jorge↗
DOE OSTI2020

Iodine effective diffusion coefficients through volcanic rock: Influence of iodine speciation and rock geochemistry

Accurate prediction of the subsurface transport of iodine species is important for the assessment of long-term nuclear waste repository performance, as well as monitoring compliance with the Comprehensive Nuclear-Test-Ban Treaty, given that radioiodine decays into radioxenon. However, the transport of iodine through intact geologic media is not well understood, compromising our ability to assess risk associated with radioiodine migration. The current study's goal is to quantify the matrix diffusion of iodine species through saturated volcanic rock, with particular attention paid to the redox environment and potential speciation changes. Here, diffusion experiments were run for iodide through lithophysae-rich lava, lithophysae-poor lava, and welded tuff, whereas iodate diffusion was studied through welded tuff. Iodine transport was compared with a conservative tracer, HDO, and effective diffusion coefficients were calculated. Likely due to a combination of size and anion exclusion effects, iodine species diffused more slowly than the conservative tracer through all rock types tested. Furthermore, oxidation of iodide to iodate was observed in the lithophysae-poor lava, affecting transport. Results provide much needed data for subsurface transport models that predict radioiodine migration from underground sources, and indicate the pressing need for geochemical and redox interactions to be incorporated into these models.

58 GEOSCIENCES↗
NASA NTRS1999

Numerical Study of Buoyancy and Differential Diffusion Effects on the Structure and Dynamics of Triple Flames

Triple flames arise in a number of practical configurations where fuel and oxidizer are partially premixed, such as in the base of a lifted jet flame. Past experimental studies, theoretical analyses, and numerical modeling of triple flames suggested the potential role of triple flames in stabilizing turbulent flames and in promoting flame propagation. From recent numerical simulations of laminar triple flames, a strong influence of differential diffusion among species and heat on the triple flame structure has been gradually appreciated. This paper reports preliminary numerical results on the influence of gravity and differential diffusion effects on the structure and dynamics of triple flames with a one-step global irreversible chemistry model.

Chen, J. -Y.↗
NASA NTRS1992

Convection of tin in a Bridgman system. I - Flow characterization by effective diffusivity measurements

An electrochemical titration method was used to investigate the dynamic states in a cylindrical layer of convecting tin. The liquid tin was contained in a cell, with curved boundaries made of quartz and flat boundaries made of a solid state electrolyte - yttria-stabilized zirconia (YSZ). The electrolyte acted as a window through which a trace amount of oxygen could be pumped in or out by the application of a constant voltage. The concentration at the YSZ interface was monitored by operating the electrochemical cell in the galvanic mode. Experimentally determined effective diffusivities of oxygen were compared with the molecular diffusivity. Dynamic states in the convective flow were thus inferred. Temperature measurements were simultaneously made in order to identify the onset of oscillations from a steady convective regime. The experiments were conducted for two different aspect ratios for various imposed temperature gradients and two different orientations with respect to gravity. Transcritical states were identified and comparison to two-dimensional numerical models were made.

Sears, B.↗
NASA NTRS1980

Thermal /Soret/ diffusion effects on interfacial mass transport rates

It is shown that thermal (Soret) diffusion significantly alters convective mass transport rates and important transition temperatures in highly nonisothermal flow systems involving the transport of 'heavy' species (vapors or particles). Introduction of the Soret transport term is shown to result in mass transfer effects similar to those of 'suction' and a homogeneous chemical 'sink'. It is pointed out that this analogy provides a simple method of correlating and predicting thermal diffusion effects in the abovementioned systems.

Rosner, D. E.↗
NASA NTRS1987

Double-diffusive effects during solidification

When a fluid contains two diffusing components with different molecular diffusivities, such as heat and solute concentration, convective motion may be generated when potential energy is released owing to differential diffusion. In the solidification of binary alloys and doped semiconductors, temperature and concentration gradients do exist simultaneously. If these gradients are aligned in a suitable manner, convection may ensue. In the case of the binary alloy, such convection may extend through the mushy zone and may be the cause of macrosegregations. In the case of doped semiconductors, the convective motion may cause the nonuniform distribution of dopant in the product. In this paper, the fundamentals of double-diffusive convection will be reviewed, and its effect on solidification will be discussed.

Chen, C. F.↗
DOE OSTI2025

Reduction of Porosity in Cementitious Waste Forms to Reduce Effective Diffusivity

Although current practices meet regulations for grout waste forms, development of sequestration materials and techniques for contaminants of concern could expand the use of grout waste forms and reduce risk to established processes from future compositional changes. There are contaminants in waste streams that are not permanently and completely sequestered in current grout waste forms under certain conditions. These contaminants include methyl mercury, 129 I, 99 Tc, and nitrate. Each of these species have minor fractions that are not permanently and completely isolated from the environment and therefore potentially contribute to long-term environmental impacts. An approach of interest includes the technique of reducing porosity to result in reduced leachability of all contaminants simultaneously. The current Savannah River Site (SRS) saltstone formulation was used to evaluate the relationship between leachability and porosity reduced waste forms by altering the water-to-binder ratio. Results indicated decreasing the water-to-binder directly reduced porosity and resulted in the waste form’s ability to more effectively immobilize nitrate. This work was funded by the Department of Energy Office of Environmental Management (DOE-EM) Technology Operations Office (TOO) Project # HQ221818.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1993

Diffusion effects on the helium abundance of the solar transition region and corona

The diffusion of helium in the solar transition region is studied by solving the mass and momentum conservation equations for a hydrogen-helium plasma given a representative temperature profile. Steady state solutions show that two distinct atmospheres may result. In cases where the thermal force on alpha-particles is balanced by the partial pressure gradient force, helium is the dominant coronal species. On the other hand, if it is the frictional force between protons and alpha-particles which balances the thermal force on alpha-particles then hydrogen is the major coronal component. In order to explore which of these solutions are attainable within reasonable time scales, the time-dependent equations are solved, starting from an initial state with a uniform helium abundance of 10 percent. The atmosphere as a whole is close to hydrostatic equilibrium, but due the thermal forces the individual elements are not. This force inbalance leads to a differential flow between species. It is found that this differential flow leads to a significant enhancement of the coronal helium abundance. Even for the relatively shallow temperature gradient used the helium abundance in the lower corona increases to 30 percent over a 24 hr period.

Hansteen, Viggo H.↗
DOE OSTI2021

Molecular Viscosity and Diffusivity Effects in Transitional and Shock-Driven Mixing Flows

Here, this paper investigates the importance of molecular viscosity and diffusivity for the prediction of transitional and shock-driven mixing flows featuring high and low Reynolds and Mach number regions. Two representative problems are computed with implicit large-eddy simulations using the inviscid Euler equations (EE) and viscous Navier-Stokes equations (NSE): the Taylor-Green vortex at Reynolds number Re = 3000 and initial Mach number Ma = 0.28, and an air- SF 6 -air gas curtain subjected to two shock waves at Ma = 1.2. The primary focus is on differences between NSE and EE predictions due to viscous effects. The outcome of the paper illustrates the advantages of utilizing NSE. In contrast to the EE, where the effective viscosity decreases upon grid refinement, NSE predictions can be assessed for simulations of flows with transition to turbulence at prescribed constant Re. The NSE can achieve better agreement between solutions and reference data, and the results converge upon grid refinement. On the other hand, the EE predictions do not converge with grid refinement, and can only exhibit similarities with the NSE results at coarse grid resolutions. We also investigate the effect of viscous effects on the dynamics of the coherent and turbulent fields, as well as on the mechanisms contributing to the production and diffusion of vorticity. The results show that nominally inviscid calculations can exhibit significantly varying flow dynamics driven by changing effective resolution-dependent Reynolds number, and highlight the role of viscous processes affecting the vorticity field. These tendencies become more pronounced upon grid refinement. The discussion of the results concludes with the assessment of the computational cost of inviscid and viscous computations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1988

Thermal and pressure diffusion effects in high altitude flows

An apparently anomalous change in composition adjacent to a non-catalytic surface in an earlier DSMC calculation of a non-reacting gas mixture is shown to have been due to thermal diffusion. Both thermal and pressure diffusion can lead to species separation effects in the flow of gas mixtures, but are not generally included in Navier-Stokes formulations. Additional DSMC calculations are made for blunt-body and plume expansion flows using both a simple gas and an otherwise identical gas mixture. These test calculations indicate that the pressure distribution on the forward face of a blunt body is largely unaffected by the species separation in the stagnation region. The gas density in this region is significantly affected and there is a slight change in the heat transfer to the surface. The pressure distribution around the shoulder of the body is affected. Very large separations occur in the plume expansion of the gas mixtures and there is an order of magnitude increase in density in the backflow region for the mixture.

Bird, G. A.↗
NASA NTRS1975

Diffusion effects on the line intensities of He I and He II in the solar transition region

A heuristic treatment of diffusion in the solar chromosphere-corona transition region is developed. It is shown that diffusion becomes increasingly important with steeper temperature gradients, in active and quiet regions relative to coronal holes, and with increasing excitation potential. Numerical calculations are made for the resonance lines of He I and He II and show that diffusion can enhance these lines. Thus the helium lines may appear relatively weak in coronal holes due to a weakening of the enhancement mechanism. Most transition region lines will be less affected by diffusion than He I or He II.

Shine, R.↗
NASA NTRS1979

Convection and diffusion effects during dendritic solidification

A report is presented of the first quantitative measurements of dendritic growth at supercooling levels where convection instead of diffusion is the controlling heat transfer mechanism. Precautions similar to that used in an investigation conducted by Glicksman et al. (1976) were taken to insure 'free' dendritic growth conditions. Dendritic growth velocity was measured as a function of growth orientation at seventeen supercoolings which ranged from 0.043 C to 2 C. Selected but representative measurements of velocity versus orientation angle are shown in a graph. The relative growth velocity of a downward growing dendrite is found to be greater than that of a diffusion-limited dendrite. This result is consistent with that expected from the enhanced heat transfer arising from natural convection.

Glicksman, M. E.↗