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At least 1,657 records · Page 92

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DOE OSTI2013

Thin Oxides as a Cu Diffusion Barrier for NIF Be Ablator Capsules

The NIF point design uses a five-layer capsule to modify the X-ray absorption in order to achieve optimized shock timing. A stepped copper dopant design defines the layer structure. The production of the capsule involves pyrolysis to remove the inner plastic mandrel. Copper atoms diffuse radially and azimuthally throughout the capsule during pyrolysis. This diffusion significantly diminishes the capsule performance during implosion. Thermal and coated oxide barrier layers employed between layers mitigate the diffusion of copper during the mandrel removal process. The copper atoms do not diffuse through this barrier during pyrolysis. A capsule fabrication method that produces a capsule with a thin oxide layer will be discussed.

42 ENGINEERING↗

DOE OSTI2014

Diffusion Acceleration Schemes for Self-Adjoint Angular Flux Formulation with a Void Treatment

A Galerkin weak form for the monoenergetic neutron transport equation with a continuous finite element method and discrete ordinate method is developed based on self-adjoint angular flux formulation. This weak form is modified for treating void regions. A consistent diffusion scheme is developed with projection. Correction terms of the diffusion scheme are derived to reproduce the transport scalar flux. A source iteration that decouples the solution of all directions with both linear and nonlinear diffusion accelerations is developed and demonstrated. One-dimensional Fourier analysis is conducted to demonstrate the stability of the linear and nonlinear diffusion accelerations. Numerical results of these schemes are presented.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2015

Derivation of an Analytical Solution to a Reaction-Diffusion Model for Autocatalytic Degradation and Erosion in Polymer Microspheres

A mathematical reaction-diffusion model is defined to describe the gradual decomposition of polymer microspheres composed of poly(D,L-lactic-co-glycolic acid) (PLGA) that are used for pharmaceutical drug delivery over extended periods of time. The partial differential equation (PDE) model treats simultaneous first-order generation due to chemical reaction and diffusion of reaction products in spherical geometry to capture the microsphere-size dependent effects of autocatalysis on PLGA erosion that occurs when the microspheres are exposed to aqueous media such as biological fluids. The model is solved analytically for the concentration of the autocatalytic carboxylic acid end groups of the polymer chains that comprise the microspheres as a function of radial position and time. The analytical solution for the reaction and transport of the autocatalytic chemical species is useful for predicting the conditions under which drug release from PLGA microspheres transitions from diffusion-controlled to erosion-controlled release, for understanding the dynamic coupling between the PLGA degradation and erosion mechanisms, and for designing drug release particles. The model is the first to provide an analytical prediction for the dynamics and spatial heterogeneities of PLGA degradation and erosion within a spherical particle. The analytical solution is applicable to other spherical systems with simultaneous diffusive transport and first-order generation by reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Integration of a transonic high-pressure turbine with a rotating detonation combustor and a diffuser

Abstract In this paper, a diffuser is used to integrate a transonic high-pressure turbine with a rotating detonation combustor (RDC). The paper focuses on the required design modifications to the turbine endwalls (EW) to enable high efficiency, while preserving the airfoil blade-to-blade geometry. The main challenge is the stator passage unstarting, due to the high inlet Mach number. First of all, steady Reynolds Averaged Navier Stokes simulations were performed to compare the efficiency of turbines with constant-radius EWs to turbines with axisymmetric EWs. A modified EW design prevented the unstarting of the stator passage, enabling a significant gain in performance. Afterward, the influence on the turbine efficiency and damping due to the unsteadiness from the diffuser-like fluctuations of the RDC was evaluated with unsteady Reynolds Averaged Navier Stokes simulations with a mixing plane approach (MPA). Full unsteady simulations were carried out on selected inlet conditions and compared to the mixing plane results. This parametric study provides turbine designers with recommended diffusion rates along the vane EWs. Additionally, we provide guidance on the upstream diffuser design, specifically the required damping and outlet Mach number.

Engineering↗

DOE OSTI2017

Development of a diffusive wave shallow water model with a novel stability condition and other new features

Traditionally, one of the approaches to flood modelling is numerical simulation of the diffusive wave approximation of the shallow water equations. Improving these models in various aspects is still an open area of research. In this study, a new diffusive wave model with explicit time integration was developed which includes some novel features: (1) time steps are determined using a novel stability criterion which resulted in more dynamic time steps (i.e., broader range) compared to the conventional Courant-Friedrichs-Lewy stability condition; (2) stability constraints are reduced, considering the flow processes within surface ponds; (3) besides Manning's formula, which is the common equation for computing velocities in diffusive wave models, the free fall velocity and a new equation for wave-front velocity are employed; and (4) the influence of upstream surface ponds on downstream flow is considered. This paper introduces the enhanced diffusive wave model, the socalled Overland Flow Simulator Cellular Automata (OFS-CA), and its results for five test cases. Available analytical solutions and an experimental study were used for verification. Two other shallow water models were used for comparison and benchmarking. Overall, good agreements were observed and OFS-CA was computationally less expensive compared to the other two shallow water models.

42 ENGINEERING↗

DOE OSTI2013

Development of Diffusion Barrier Coatings and Deposition Technologies for Mitigating Fuel Cladding Chemical Interactions (FCCI)

The goal of this project is to develop diffusion barrier coatings on the inner cladding surface to mitigate fuel-cladding chemical interaction (FCCI). FCCI occurs due to thermal and radiation enhanced inter-diffusion between the cladding and fuel materials, and can have the detrimental effects of reducing the effective cladding wall thickness and lowering the melting points of the fuel and cladding. The research is aimed at the Advanced Burner Reactor (ABR), a sodium-cooled fast reactor, in which higher burn-ups will exacerbate the FCCI problem. This project will study both diffusion barrier coating materials and deposition technologies. Researchers will investigate pure vanadium, zirconium, and titanium metals, along with their respective oxides, on substrates of HT-9, T91, and oxide dispersion-strengthened (ODS) steels; these materials are leading candidates for ABR fuel cladding. To test the efficacy of the coating materials, the research team will perform high-temperature diffusion couple studies using both a prototypic metallic uranium fuel and a surrogate the rare-earth element lanthanum. Ion irradiation experiments will test the stability of the coating and the coating-cladding interface. A critical technological challenge is the ability to deposit uniform coatings on the inner surface of cladding. The team will develop a promising non-line-of-sight approach that uses nanofluids . Recent research has shown the feasibility of this simple yet novel approach to deposit coatings on test flats and inside small sections of claddings. Two approaches will be investigated: 1) modified electrophoretic deposition (MEPD) and 2) boiling nanofluids. The coatings will be evaluated in the as-deposited condition and after sintering.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2013

Using High-Fidelity Radiation Transport Methods to Supplement the Diffusion Approximation at Material Interfaces

Today, many radiation-hydrodynamics simulations use methods that combine hydrodynamics and radiation diffusion algorithms. The diffusion model has been used because it provides faster calculations for the radiation scalar flux than the full radiation transport model. However, it is well-known that diffusion cannot resolve “transport effects” at material interfaces. This could cause erroneous predictions when coupling the radiation results with a material hydrodynamics calculation. In this work, the “transport effects” are thoroughly characterized using IMC and SN transport methods. Based on the information obtained from this study, new models based on diffusion that can capture these effects are developed. These models are subsequently compared with the full radiation transport model. It is hoped that the new models can be used to provide improved predictions in rad-hydro simulations, such as in ICF capsule implosions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2014

Nanocrystalline SiC and Ti 3 SiC 2 Alloys for Reactor Materials: Diffusion of Fission Product Surrogates

MAX phases, such as titanium silicon carbide (Ti 3 SiC 2 ), have a unique combination of both metallic and ceramic properties, which make them attractive for potential nuclear applications. Ti 3 SiC 2 has been suggested in the literature as a possible fuel cladding material. Prior to the application, it is necessary to investigate diffusivities of fission products in the ternary compound at elevated temperatures. This study attempts to obtain relevant data and make an initial assessment for Ti 3 SiC 2 . Ion implantation was used to introduce fission product surrogates (Ag and Cs) and a noble metal (Au) in Ti 3 SiC 2 , SiC, and a dual-phase nanocomposite of Ti 3 SiC 2 /SiC synthesized at PNNL. Thermal annealing and in-situ Rutherford backscattering spectrometry (RBS) were employed to study the diffusivity of the various implanted species in the materials. In-situ RBS study of Ti 3 SiC 2 implanted with Au ions at various temperatures was also performed. The experimental results indicate that the implanted Ag in SiC is immobile up to the highest temperature (1273 K) applied in this study; in contrast, significant out-diffusion of both Ag and Au in MAX phase Ti 3 SiC 2 occurs during ion implantation at 873 K. Cs in Ti 3 SiC 2 is found to diffuse during post-irradiation annealing at 973 K, and noticeable Cs release from the sample is observed. This study may suggest caution in using Ti 3 SiC 2 as a fuel cladding material for advanced nuclear reactors operating at very high temperatures. Further studies of the related materials are recommended.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Fuel Thermo-physical Characterization Project: Evaluation of Models to Calculate Thermal Diffusivity of Layered Composites

The Office of Material Management and Minimization Fuel Thermo-physical Characterization Project at Pacific Northwest National Laboratory (PNNL) is tasked with using PNNL facilities and processes to receive irradiated low enriched uranium-molybdenum fuel plate samples and perform analyses in support of the Office of Material Management and Minimization Reactor Conversion Program. This work is in support of the Fuel Development Pillar that is managed by Idaho National Laboratory. A key portion of the scope associated with this project was to measure the thermal properties of fuel segments harvested from plates that were irradiated in the Advanced Test Reactor. Thermal diffusivity of samples prepared from the fuel segments was measured using laser flash analysis. Two models, one developed by PNNL and the other developed by the Technische Universität München (TUM), were evaluated to extract the thermal diffusivity of the uranium-molybdenum alloy from measurements made on the irradiated, layered composites. The experimental data of the “TC” irradiated fuel segment was evaluated using both models considering a three-layer and five-layer system. Both models are in acceptable agreement with one another and indicate that the zirconium diffusion barrier has a minimal impact on the overall thermal diffusivity of the monolithic U-Mo fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

Compact Models for Defect Diffusivity in Semiconductor Alloys.

Predicting transient effects caused by short - pulse neutron irradiation of electronic devices is an important part of Sandia's mission. For example , predicting the diffusion of radiation - induced point defects is needed with in Sandia's Qualification Alternative to the Sandia Pulsed Reactor (QASPR) pro gram since defect diffusion mediates transient gain recovery in QASPR electronic devices. Recently, the semiconductors used to fabricate radiation - hard electronic devices have begun to shift from silicon to III - V compounds such as GaAs, InAs , GaP and InP . An advantage of this shift is that it allows engineers to optimize the radiation hardness of electronic devices by using alloy s such as InGaAs and InGaP . However, the computer codes currently being used to simulate transient radiation effects in QASP R devices will need to be modified since they presume that defect properties (charge states, energy levels, and diffusivities) in these alloys do not change with time. This is not realistic since the energy and properties of a defect depend on the types of atoms near it and , therefore, on its location in the alloy. In particular, radiation - induced defects are created at nearly random locations in an alloy and the distribution of their local environments - and thus their energies and properties - evolves with time as the defects diffuse through the alloy . To incorporate these consequential effects into computer codes used to simulate transient radiation effects, we have developed procedures to accurately compute the time dependence of defect energies and properties and then formulate them within compact models that can be employed in these computer codes. In this document, we demonstrate these procedures for the case of the highly mobile P interstitial (I P ) in an InGaP alloy. Further dissemination only as authorized to U.S. Government agencies and their contractors; other requests shall be approved by the originating facility or higher DOE programmatic authority.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Assembly of Rabbit Capsules for Irradiation of Pyrolytic Carbon / Silicon Carbide Diffusion Couples in the High Flux Isotope Reactor

Tristructural isotropic (TRISO)–coated particle fuel is a promising advanced fuel concept being considered for several advanced reactor applications and for accident-tolerant fuel for light water reactors. One of the aspects studied in the development of this advanced fuel concept is the release of specific fission products (Ag, Eu, and Sr). The silicon carbide (SiC) layer of TRISO fuel serves as the primary barrier to metallic fission products and actinides not retained in the fuel kernel. The goal of this project is to evaluate the effect of irradiation on the diffusion of these fission products in the SiC layer of the fuel. For this purpose, rabbit capsules containing small slab diffusion couple specimens have been assembled to be irradiated in the High Flux Isotope Reactor (HFIR). The diffusion couple specimens have been fabricated using similar processes and equipment as those used to make TRISO particles; the desired fission products have been implanted in the specimens using an ion accelerator. Moreover, the effect of temperature on the fission products diffusion will be studied separately by performing thermal experiments in the absence of irradiation. This report describes the irradiation experiment design concept, summarizes the irradiation test matrix, and reports on the successful assembly of two rabbit capsules that will be irradiated in the HFIR.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Numerical Diffusion (Mixing) of Material in Numerical Simulations of Hydrodynamics [Slides]

It is often assumed that a material interface between two materials is spread over a few numerical cells in numerical simulations for hydrodynamics. Also, we have the impression that higher order methods introduce less numerical diffusion (mixing) of material. As we know one of the purposes of adaptive mesh refinement (AMR) is to resolve interfaces between materials, but we would like to know how effective AMR is to reduce numerical diffusion of material. We will present our investigation about numerical diffusion (mixing) of material in xRage. The result of the investigation indicates that the assumptions mentioned above are not always valid. In this talk, we will also demonstrate the effectiveness of numerical techniques to reduce numerical diffusion of material, including contact discontinuity steepening, isotropic interface steepening, max interface steepening, material interface reconstruct.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Simulating Dopant Diffusion in a Detalied Porous Structure

The National Ignition Facility (NIF) at Lawrence Livermore National Laboratory (LLNL) uses highpowered lasers to explore cutting edge fusion technology. Specialized optics, known as fiber lasers, generate and amplify the NIF’s high-powered lasers that facilitate fusion experiments. Fiber lasers are glass fibers that are doped with heavy elements to stimulate light emission. The fiber laser doping processing uses a predeposited layer of porous silica nanoparticles on the surface of the glass to absorb a dopant rich salt solution. Our project simulated the diffusion of dopants into porous silica with prescribed colloidal stacking geometries using COMSOL Multiphysics. With these simulations we identified the porosity and tortuosity of the porous nanoparticle structures as the primary parameters that will dictate how the dopants will diffusive into the porous surface of the glass. Porosity and Tortuosity are geometric parameters that can easily be input into more detailed simulations to estimate an effective diffusivity within the porous layer. Future work should account for surface reactions to accurately simulate the full-scale diffusion of the solution doping process.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Fundamental Studies of Tritium Diffusivity in Irradiation Defective Lithium Aluminate and Lithium Zirconates Pellets Used in TPBAR

Due to its excellent irradiation behavior at elevated temperatures, lithium aluminate (LiAlO 2 ) is used in the form of annular ceramic pellets enriched with the 6Li isotope in tritium producing burnable absorber rod (TPBAR). To simulate the nuclear characteristics and produce tritium (T), TPBAR is irradiated by a neutron flux in a pressurized water reactor (PWR). The T diffuses through the pellets and is captured by the metal getter where it chemically reacts and leads to formation of metal hydride. The transport of T in radiation damaged pellets that contain defects and impurities is not clearly understood due to the lack of fundamental studies of T solubility and diffusivity. The other candidate material possessing a similar physical and chemical properties and can be potentially useful as a tritium breading blanket in the future is Lithium Zirconates (Li 2 ZrO 3 ). In FY2017, we investigated the diffusion and solubility properties in irradiation defective LiAlO 2 and Li 2 ZrO 3 crystals with different level of tritium concentration. In FY2018 we continued to explore the diffusivity and solubility properties extensively in those candidate materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Hydrogen Diffusion Coefficient Measures on Thin Film Uranium Oxide

Thin films of uranium oxides, putatively UO 2 and U 3 O 8 , were deposited on palladium/silver (75/25) foil discs (10 μm thick, 10 mm diameter). Methodology for sealing these foils, applying a hydrogen pressure (~ 1 atm) to the oxide side, and measuring the pressure on the permeate side (opposite side of foil) is reported. The experimental apparatus is held at 100 °C to speed diffusion, aided by the pressure differential across the foil (~1 atm (750 torr) on oxide side, initially low vacuum on permeate side, ~1x 10 -4 torr). Early results indicate an effective diffusion coefficient of roughly 7.66 x 10 -17 +/- 2.22 x 10 -17 cm 2 /sec for UO 2 . These values are in line with expectations and prior measures relative to large lag times for system baseline (substrate only). Evaluation of the technique for U 3 O 8 thin films suggests further development will be needed to extend the technique to more oxidized films (U 3 O 8 , UO 3 ). Characterization of the foils (thickness and speciation) post diffusion experiments will be carried out by SIGMA (Eric Tegtmeier and Andy Richards) in FY24 which will sharpen the uncertainty quantification for UO 2 diffusion coefficients, aiding the nucleation model for DRACO.

36 MATERIALS SCIENCE↗

DOE OSTI2024

First-Principles Studies of Tritium Species Diffusivity Across the Interface of Nickel-Plated Zircaloy-4

In this study, we will calculate the 3H2 and 3H2O diffusion mechanism in the Ni coated layer and the dominant 3H species dissolution into the Zircaloy-4 getter. We will optimize the Ni/Zr interface and introduce Sn and O impurities. To achieve the objectives, we will perform the investigation by using spin-polarized density functional theory (DFT) methods to capture the effects of Ni magnetic properties on 3H diffusion. We will introduce NiO/Ni(OH) on the Ni side closer to the interface. Then, the 3H diffusion pathways and barriers from Ni side to the zircalory-4 will be explored. We will investigate how NiO/Ni(OH) affects the 3H diffusion across the interface.

Paudel, Hari P.↗

DOE OSTI2015

Spatial and Temporal Correlates of Greenhouse Gas Diffusion from a Hydropower Reservoir in the Southern United States

Emissions of CO 2 and CH 4 from freshwater reservoirs constitute a globally significant source of atmospheric greenhouse gases (GHGs), but knowledge gaps remain with regard to spatiotemporal drivers of emissions. We document the spatial and seasonal variation in surface diffusion of CO 2 and CH 4 from Douglas Lake, a hydropower reservoir in Tennessee, USA. Monthly estimates across 13 reservoir sites from January to November 2010 indicated that surface diffusions ranged from 236 to 18,806 mg m -2 day -1 for CO 2 and 0 to 0.95 mg m -2 day -1 for CH 4 . Next, we developed statistical models using spatial and physicochemical variables to predict surface diffusions of CO 2 and CH 4 . Models explained 22.7 and 20.9% of the variation in CO 2 and CH4 diffusions, respectively, and identified pH, temperature, dissolved oxygen, and Julian day as the most informative important predictors. These findings provide baseline estimates of GHG emissions from a reservoir in eastern temperate North America a region for which estimates of reservoir GHGs emissions are limited. Our statistical models effectively characterized non-linear and threshold relationships between physicochemical predictors and GHG emissions. Further refinement of such models will aid in predicting current GHG emissions in unsampled reservoirs and forecasting future GHG emissions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Diffuse Bands 9577 and 9633: Relations to Other Interstellar Features

We study, for the first time, the relations of two strong diffuse bands (DIBs) at 9633 and 9577 Å, commonly attributed to C{sub 60}{sup +}, to other interstellar features seen in optical and UV spectra including H i, Ca i, Fe ii, Na i, Ti ii, CN, CH, CH{sup +}, and C{sub 2} and DIBs 5780, 5797, 6196, 6269, 6284, and 6614. We analyzed 62 lines of sight where the stellar contamination by Mg ii was corrected or found negligible for DIB 9633. Equivalent widths of DIB 9577 were measured in 62 lines of sight. Poor mutual correlation between the strengths of the above features and the major diffuse bands (5780 and 5797) as well as with other DIBs (with some exceptions) were revealed. The considered DIBs are also poorly correlated with the features of neutral hydrogen, molecular carbon, and those of simple interstellar radicals. Perhaps this phenomenon can be explained if the diffuse band 9577 is an unresolved blend of two or more interstellar features. There are indications that 9633 and 9577 diffuse bands are stronger in σ-type clouds, i.e., these features resemble the behavior of reasonably broad DIBs, which are strong in the lines of sight where the UV flux from the very hot nearby stars plays an important role.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗