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At least 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Milestone report: The simulation of radiation driven gas diffusion in UO 2 at low temperature

Below 1000 K it is thought that fission gas diffusion in nuclear fuel during irradiation occurs through atomic mixing due to radiation damage. This is an important process for nuclear reactor performance as it affects fission gas release, particularly from the periphery of the pellet where such temperatures are normal. Here we present a molecular dynamics study of Xe and Kr diffusion due to irradiation. Thermal spikes and cascades have been used to study the electronic stopping and ballistic phases of damage, respectively. Our results predict that O and Kr exhibit the greatest diffusivity and U the least, while Xe lies in between. It is concluded that the ballistic phase does not sufficiently account for the experimentally observed diffusion. Preliminary thermal spike calculations indicate that the electronic stopping phase generates greater fission gas displacement than the ballistic phase, although further calculation must be carried out to confirm this. A good description of the system by the empirical potentials is important over the very wide temperatures induced during thermal spike and damage cascade simulations. This has motivated the development of a parameter set for gas-actinide and gas-oxygen interactions that is complementary for use with a recent many-body potential set. A comprehensive set of density functional theory (DFT) calculations were used to study Xe and Kr incorporation at a number of sites in CeO 2 , ThO 2 , UO 2 and PuO 2 . These structures were used to fit a potential, which was used to generate molecular dynamics (MD) configurations incorporating Xe and Kr at 300 K, 1500 K, 3000 K and 5000 K. Subsequent matching to the forces predicted by DFT for these MD configurations was used to refine the potential set. This fitting approach ensured weighted fitting to configurations that are thermodynamically significant over a broad temperature range, while avoiding computationally expensive DFT-MD calculations. The resultant gas potentials were validated against DFT binding energies and are suitable for simulating combinations of Xe and Kr in solid solutions of CeO 2 , ThO 2 , UO 2 and PuO 2 , providing a powerful tool for the atomistic simulation of conventional nuclear reactor fuel UO 2 as well as advanced MOX fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Final Report: Towards an Emergent Model of Technology Adoption for Accelerating the Diffusion of Residential Solar PV

This project sought to enable electric utilities in Texas to accelerate diffusion of residential solar photovoltaic (PV) by systematically identifying and targeting existing barriers to PV adoption. A core goal of the project was to develop an integrated research framework that combines survey research, econometric modeling, financial modeling, and implementation and evaluation of pilot projects to study the PV diffusion system. This project considered PV diffusion as an emergent system, with attention to the interactions between the constituent parts of the PV socio-technical system including: economics of individual decision-making; peer and social influences; behavioral responses; and information and transaction costs. We also conducted two pilot projects, which have yielded new insights into behavioral and informational aspects of PV adoption. Finally, this project has produced robust and generalizable results that will provide deeper insights into the technology-diffusion process that will be applicable for the design of utility programs for other technologies such as home-energy management systems and plug-in electric vehicles. When we started this project in 2013 there was little systematic research on characterizing the decision-making process of households interested in adopting PV. This project was designed to fill that research gap by analyzing the PV adoption process from the consumers' decision-making perspective and with the objective to systematically identifying and addressing the barriers that consumers face in the adoption of PV. The two key components of that decision-making process are consumers' evaluation of: (i) uncertainties and non-monetary costs associated with the technology and (ii) the direct monetary cost-benefit. This project used an integrated approach to study both the non-monetary and the monetary components of the consumer decision-making process.

14 SOLAR ENERGY↗
DOE OSTI2017

Calculations of hydrogen diffusivity in Zr-based alloys: Influence of alloying elements and effect of stress

This report summarizes the progress on modeling hydrogen diffusivity in Zr-based alloys. The presence of hydrogen (H) can detrimentally affect the mechanical properties of many metals and alloys. To mitigate these detrimental effects requires fundamental understanding of the thermodynamics and kinetics governing H pickup and hydride formation. In this work, we focus on H diffusion in Zr-based alloys by studying the effects of alloying elements and stress, factors that have been shown to strongly affect H pickup and hydride formation in nuclear fuel claddings. A recently developed accelerated kinetic Monte Carlo method is used for the study. It is found that for the alloys considered here, H diffusivity depends weakly on composition, with negligible effect at high temperatures in the range of 600-1200 K. Therefore, the small variation in compositions of these alloys is likely not a major cause of the very different H pickup rates. In contrast, stress strongly affects H diffusivity. This effect needs to be considered for studying hydride formation and delayed hydride cracking.

36 MATERIALS SCIENCE↗
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↗
DOE OSTI2023

Evaluation of Tungsten—Steel Solid-State Bonding: Options and the Role of CALPHAD to Screen Diffusion Bonding Interlayers

Critical aspects of innovative design in engineering disciplines like infrastructure, transportation, and medical applications require the joining of dissimilar materials. This study investigates the literature on solid-state bonding techniques, with a particular focus on diffusion bonding, as an effective method for establishing engineering bonds. Welding and brazing, while widely used, may pose challenges when joining materials with large differences in melting temperature and can lead to mechanical property degradation. In contrast, diffusion bonding offers a lower temperature process that relies on solid-state interactions to develop bond strength. The joining of tungsten and steel, especially for fusion reactors, presents a unique challenge due to the significant disparity in melting temperatures and the propensity to form brittle intermetallics. Here, diffusion characteristics of tungsten–steel interfaces are examined and the influence of bonding parameters on mechanical properties are investigated. Additionally, CALPHAD modeling is employed to explore joining parameters, thermal stability, and diffusion kinetics. The insights from this research can be extended to join numerous dissimilar materials for specific applications such as aerospace, automobile industry, power plants, etc., enabling advanced and robust design with high efficiency.

36 MATERIALS SCIENCE↗
DOE OSTI2016

NON-AXISYMMETRIC PERPENDICULAR DIFFUSION OF CHARGED PARTICLES AND THEIR TRANSPORT ACROSS TANGENTIAL MAGNETIC DISCONTINUITIES

We investigate the transport of charged particles across magnetic discontinuities, focusing specifically on stream interfaces associated with co-rotating interaction regions in the solar wind. We argue that the magnetic field fluctuations perpendicular to the magnetic discontinuity, and usually also perpendicular to the mean magnetic field, are strongly damped in the vicinity of such a magnetic structure, leading to anisotropic perpendicular diffusion. Assuming that perpendicular diffusion arises from drifts in a turbulent magnetic field, we adopt a simplified approach to derive the relevant perpendicular diffusion coefficient. This approach, which we believe gives the correct principal dependences as expected from more elaborate calculations, allows us to investigate transport in different turbulent geometries, such as longitudinal compressional turbulence that may be present near the heliopause. Although highly dependent on the (possibly anisotropic) perpendicular length scales and turbulence levels, we generally find perpendicular diffusion to be strongly damped at magnetic discontinuities, which may in turn provide an explanation for the large particle gradients associated with these structures.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

THE IMPLICIT CONTRIBUTION OF SLAB MODES TO THE PERPENDICULAR DIFFUSION COEFFICIENT OF PARTICLES INTERACTING WITH TWO-COMPONENT TURBULENCE

We explore the transport of energetic particles in two-component turbulence in which the stochastic magnetic field is assumed to be a superposition of slab and two-dimensional modes. It is known that in magnetostatic slab turbulence, the motion of particles across the mean magnetic field is subdiffusive. If a two-dimensional component is added, diffusion is recovered. It was also shown before that in two-component turbulence, the slab modes do not explicitly contribute to the perpendicular diffusion coefficient. In the current paper, the implicit contribution of slab modes is explored and it is shown that this contribution leads to a reduction of the perpendicular diffusion coefficient. This effect improves the agreement between simulations and analytical theory. Furthermore, the obtained results are relevant for investigations of diffusive shock acceleration.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Determining pitch-angle diffusion coefficients from test particle simulations

The transport and acceleration of charged particles in turbulent media are topics of great interest in space physics and interstellar astrophysics. These processes are dominated by the scattering of particles off magnetic irregularities. The scattering process itself is usually described by small-angle scattering, with the pitch-angle coefficient D{sub μμ} playing a major role. Since the diffusion coefficient D{sub μμ} can be determined analytically only for the approximation of quasilinear theory, the determination of this coefficient from numerical simulations has become more important. So far these simulations have yielded particle tracks for small-scale scattering, which can then be interpreted using the running diffusion coefficients. This method has a limited range of validity. This paper presents two new methods that allow for the calculation of the pitch-angle diffusion coefficient from numerical simulations. These methods no longer analyze particle trajectories and instead examine the change of particle distribution functions. It is shown that these methods provide better resolved results and allow for the analysis of strong turbulence. The application of these methods to Monte Carlo simulations of particle scattering and hybrid MHD-particle simulations is presented. Both analysis methods are able to recover the diffusion coefficients used as input for the Monte Carlo simulations and provide better results in MHD simulations, especially for stronger turbulence.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

ENERGETIC PARTICLE TRANSPORT ACROSS THE MEAN MAGNETIC FIELD: BEFORE DIFFUSION

Current particle transport models describe the propagation of charged particles across the mean field direction in turbulent plasmas as diffusion. However, recent studies suggest that at short timescales, such as soon after solar energetic particle (SEP) injection, particles remain on turbulently meandering field lines, which results in nondiffusive initial propagation across the mean magnetic field. In this work, we use a new technique to investigate how the particles are displaced from their original field lines, and we quantify the parameters of the transition from field-aligned particle propagation along meandering field lines to particle diffusion across the mean magnetic field. We show that the initial decoupling of the particles from the field lines is slow, and particles remain within a Larmor radius from their initial meandering field lines for tens to hundreds of Larmor periods, for 0.1–10 MeV protons in turbulence conditions typical of the solar wind at 1 au. Subsequently, particles decouple from their initial field lines and after hundreds to thousands of Larmor periods reach time-asymptotic diffusive behavior consistent with particle diffusion across the mean field caused by the meandering of the field lines. We show that the typical duration of the prediffusive phase, hours to tens of hours for 10 MeV protons in 1 au solar wind turbulence conditions, is significant for SEP propagation to 1 au and must be taken into account when modeling SEP propagation in the interplanetary space.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Charged Particle Diffusion in Isotropic Random Magnetic Fields

The investigation of the diffusive transport of charged particles in a turbulent magnetic field remains a subject of considerable interest. Research has most frequently concentrated on determining the diffusion coefficient in the presence of a mean magnetic field. Here we consider the diffusion of charged particles in fully three-dimensional isotropic turbulent magnetic fields with no mean field, which may be pertinent to many astrophysical situations. We identify different ranges of particle energy depending upon the ratio of Larmor radius to the characteristic outer length scale of turbulence. Two different theoretical models are proposed to calculate the diffusion coefficient, each applicable to a distinct range of particle energies. The theoretical results are compared to those from computer simulations, showing good agreement.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1950

Characteristics of Perforated Diffusers at Free-stream Mach Number 1.90

An investigation was conducted at Mach number 1.90 to determine pressure recovery and mass-flow characteristics of series of perforated convergent-divergent supersonic diffusers. Pressure recoveries as high as 96 percent were obtained, but at reduced mass flows through the diffuser. Theoretical considerations of effect of perforation distribution on shock stability in converging section of diffuser are presented and correlated with experimental data. A method of estimating relative importance of pressure recovery and mass flow on internal thrust coefficient basis is given and a comparison of various diffusers investigated is made.

FLOW, SUPERSONIC↗
NASA NTRS1950

Investigation of Perforated Convergent-divergent Diffusers with Initial Boundary Layer

An experimental investigation was made at Mach number 1.90 of the performance of a series of perforated convergent-divergent supersonic diffusers operating with initial boundary layer, which was induced and controlled by lengths of cylindrical inlets affixed to the diffusers. Supercritical mass-flow and peak total-pressure recoveries were decreased slightly by use of the longest inlets (4 inlet diameters in length). Combinations of cylindrical inlets, perforated diffusers, and subsonic diffuser were evaluated as simulated wind tunnels having second throats. Comparisons with noncontracted configurations of similar scale indicated conservatively computed power reductions of 25 percent.

DIFFUSERS, SUPERSONIC↗
NASA NTRS2002

Mathematical model of diffusion-limited gas bubble dynamics in unstirred tissue with finite volume

Models of gas bubble dynamics for studying decompression sickness have been developed by considering the bubble to be immersed in an extravascular tissue with diffusion-limited gas exchange between the bubble and the surrounding unstirred tissue. In previous versions of this two-region model, the tissue volume must be theoretically infinite, which renders the model inapplicable to analysis of bubble growth in a finite-sized tissue. We herein present a new two-region model that is applicable to problems involving finite tissue volumes. By introducing radial deviations to gas tension in the diffusion region surrounding the bubble, the concentration gradient can be zero at a finite distance from the bubble, thus limiting the tissue volume that participates in bubble–tissue gas exchange. It is shown that these deviations account for the effects of heterogeneous perfusion on gas bubble dynamics, and are required for the tissue volume to be finite. The bubble growth results from a difference between the bubble gas pressure and an average gas tension in the surrounding diffusion region that explicitly depends on gas uptake and release by the bubble. For any given decompression, the diffusion region volume must stay above a certain minimum in order to sustain bubble growth.

NASA Discipline Environmental Health↗
NASA NTRS1999

Single-shot diffusion measurement in laser-polarized Gas

A single-shot pulsed gradient stimulated echo sequence is introduced to address the challenges of diffusion measurements of laser polarized 3He and 129Xe gas. Laser polarization enhances the NMR sensitivity of these noble gases by >10(3), but creates an unstable, nonthermal polarization that is not readily renewable. A new method is presented which permits parallel acquisition of the several measurements required to determine a diffusive attenuation curve. The NMR characterization of a sample's diffusion behavior can be accomplished in a single measurement, using only a single polarization step. As a demonstration, the diffusion coefficient of a sample of laser-polarized 129Xe gas is measured via this method. Copyright 1999 Academic Press.

Non-NASA Center↗
NASA NTRS2012

Constraints on the Galactic Halo Dark Matter from Fermi-LAT Diffuse Measurements

We have performed an analysis of the diffuse gamma-ray emission with the Fermi Large Area Telescope (LAT) in the Milky Way halo region, searching for a signal from dark matter annihilation or decay. In the absence of a robust dark matter signal, constraints are presented. We consider both gamma rays produced directly in the dark matter annihilation/decay and produced by inverse Compton scattering of the e+/e− produced in the annihilation/decay. Conservative limits are derived requiring that the dark matter signal does not exceed the observed diffuse gamma-ray emission. A second set of more stringent limits is derived based on modeling the foreground astrophysical diffuse emission using the GALPROP code. Uncertainties in the height of the diffusive cosmic-ray halo, the distribution of the cosmic-ray sources in the Galaxy, the index of the injection cosmic-ray electron spectrum, and the column density of the interstellar gas are taken into account using a profile likelihood formalism, while the parameters governing the cosmic-ray propagation have been derived from fits to local cosmic-ray data. The resulting limits impact the range of particle masses over which dark matter thermal production in the early universe is possible, and challenge the interpretation of the PAMELA/Fermi-LAT cosmic ray anomalies as the annihilation of dark matter.

DIFFUSE MEASUREMENTS↗
NASA NTRS2017

Major Pathways to Electron Distribution Function Formation in Regions of Diffuse Aurora

This paper discusses the major pathways of electron distribution function formation in the region of diffuse aurora. The diffuse aurora accounts for about of 75% of the auroral energy precipitating into the upper atmosphere, and its origin has been the subject of much discussion. We show that an earthward stream of precipitating electrons initially injected from the Earth's plasma sheet via wave-particle interactions degrades in the atmosphere toward lower energies and produces secondary electrons via impact ionization of the neutral atmosphere. These electrons of magnetospheric origin are then reflected back into the magnetosphere along closed dipolar magnetic field lines, leading to a series of reflections and consequent magnetospheric interactions that greatly augment the initially precipitating flux at the upper ionospheric boundary (700-800 km). To date this, systematic magnetosphere-ionosphere coupling element has not been included in auroral research models, and, as we demonstrate in this article, has a dramatic effect (200-300%) on the formation of the precipitating fluxes that result in the diffuse aurora. It is shown that wave-particle interaction processes that drive precipitating fluxes in the region of diffuse aurora from the magnetospheric altitudes are only the first step in the formation of electron precipitation at ionospheric altitudes, and they cannot be separated from the atmospheric collisional machine that redistributes and transfers their energy inside the magnetosphere-ionosphere-atmosphere coupling system.

magnetospheric↗
NASA NTRS2017

Simple Analytical Expressions for Electron Pitch Angle Diffusion Coefficients

In the present paper, we have calculated electron pitch angle diffusion coefficients due to resonant interactions with whistler mode lower band chorus (LBC), upper band chorus (UBC), and electrostatic electron cyclotron harmonic (ECH) waves. Calculations have been performed at two values of the ratio of electron plasma frequency to gyro-frequency and thirteen representative values of electron energies for the plasma sheet electrons. The numerical data of diffusion coefficients have been fitted to simple analytical expressions for each wave mode. These analytical expressions allow for simple evaluation of pitch angle diffusion coefficients for the arbitrary pitch angle, energy, the ambient magnetic field, the wave amplitude, and the ratio of plasma frequency to gyro-frequency. In the case of LBC waves, the analytical coefficients are generally within a factor of two to the numerical coefficients, except at higher pitch angles where the numerical coefficients drop to show negligible values. Likewise, also for UBC waves, the analytical coefficients are generally within a factor of two to the numerical coefficients. The analytical coefficients for ECH waves are generally in agreement with numerical coefficients. However, the analytical expressions developed for ECH waves do not reproduce sharp fluctuations, dips, and gaps, the so-called banded structure observed in the data of numerical coefficients. The effect of the shape variation on the profile of the wave spectral intensity and the effect of cold temperature on the numerical coefficients are also investigated. Applications of the analytical expressions of diffusion coefficients are discussed.

coefficients↗
DOE OSTI2013

Estimating anisotropic diffusion of neutrons near the boundary of a pebble bed random system

Due to the arrangement of the pebbles in a Pebble Bed Reactor (PBR) core, if a neutron is located close to a boundary wall, its path length probability distribution function in directions of flight parallel to the wall is significantly different than in other directions. Hence, anisotropic diffusion of neutrons near the boundaries arises. We describe an analysis of neutron transport in a simplified 3-D pebble bed random system, in which we investigate the anisotropic diffusion of neutrons born near one of the system's boundary walls. While this simplified system does not model the actual physical process that takes place near the boundaries of a PBR core, the present work paves the road to a formulation that may enable more accurate diffusion simulations of such problems to be performed in the future. Monte Carlo codes have been developed for (i) deriving realizations of the 3-D random system, and (ii) performing 3-D neutron transport inside the heterogeneous model; numerical results are presented for three different choices of parameters. These numerical results are used to assess the accuracy of estimates for the mean-squared displacement of neutrons obtained with the diffusion approximations of the Atomic Mix Model and of the recently introduced [1] Non-Classical Theory with angular-dependent path length distribution. The Non-Classical Theory makes use of a Generalized Linear Boltzmann Equation in which the locations of the scattering centers in the system are correlated and the distance to collision is not exponentially distributed. We show that the results predicted using the Non-Classical Theory successfully model the anisotropic behavior of the neutrons in the random system, and more closely agree with experiment than the results predicted by the Atomic Mix Model. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗