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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Initial Stages of Growth of Barium Zirconate Titanate and Barium Stannate Titanate Films on Single-Crystal Sapphire and Silicon Carbide

The initial stages of growth of barium zirconate titanate and barium stannate titanate ferroelectric films on single-crystal sapphire and silicon carbide are studied for the first time. The choice of substrates is dictated by the possibility of using such structures in ultra-high frequency devices. The growth of discontinuous BaZr{sub x}Ti{sub 1–x}O{sub 3} films is found to be mediated by the gas phase mass transport mechanism in the studied temperature range. For deposition of BaSn{sub x}Ti{sub 1–x}O{sub 3} films, the mechanism of mass transport switches at ~800°C from surface diffusion to gas phase diffusion; also, the films deposited on sapphire and silicon carbide have considerably different elemental composition. The formation of an intermediate SiO{sub 2} layer is noted on silicon carbide during the growth of oxide films on this substrate, its thickness depending on the deposition temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Boron Carbide Synthesis in Low-Voltage DC Electric Arc Initiated in Open Air

We describe a method of obtaining ultrafine boron carbide (B{sub 13}C{sub 2}) powder using the effect of a dc electric arc on a mixture of initial reactants containing carbon and boron. A peculiarity of the proposed method is that it can be implemented using arc discharge operating in open air without any vacuum equipment and protective inert gas atmosphere. X-ray diffraction data showed that the synthesized product in the general case contained three crystalline phases: boron carbide (B{sub 13}C{sub 2}), graphite (C), and boron oxide (B{sub 2}O{sub 3}). Electron-microscopic examination showed that the average size of boron carbide particles ranged from ~50 nm to ~2 μm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

The Possibility of Synthesizing Nanosize Molybdenum Carbide in Atmospheric Electrodischarge Plasma

The results of experimental studies indicating the possibility of obtaining molybdenum carbide crystalline phases in a dc arc discharge plasma initiated inside a hollow graphite cathode in the air gaseous atmosphere under normal atmospheric conditions are presented. According to the X-ray diffraction data, two molybdenum carbide phases are identified in the powder synthesis product: Mo{sub 1.2}C{sub 0.8} and Mo{sub 2}C, as well as graphite and metallic molybdenum. According to the transmission electron microscopy data, molybdenum carbide particles are in the carbon matrix and are characterized by dimensions mostly not exceeding 5–10 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Understanding the Irradiation Behavior of Zirconium Carbide

Zirconium carbide (ZrC) is being considered for utilization in high-temperature gas-cooled reactor fuels in deep-burn TRISO fuel. Zirconium carbide possesses a cubic B1-type crystal structure with a high melting point, exceptional hardness, and good thermal and electrical conductivities. The use of ZrC as part of the TRISO fuel requires a thorough understanding of its irradiation response. However, the radiation effects on ZrC are still poorly understood. The majority of the existing research is focused on the radiation damage phenomena at higher temperatures (>450{degree}C) where many fundamental aspects of defect production and kinetics cannot be easily distinguished. Little is known about basic defect formation, clustering, and evolution of ZrC under irradiation, although some atomistic simulation and phenomenological studies have been performed. Such detailed information is needed to construct a model describing the microstructural evolution in fast-neutron irradiated materials that will be of great technological importance for the development of ZrC-based fuel. The goal of the proposed project is to gain fundamental understanding of the radiation-induced defect formation in zirconium carbide and irradiation response by using a combination of state-of-the-art experimental methods and atomistic modeling. This project will combine (1) in situ ion irradiation at a specialized facility at a national laboratory, (2) controlled temperature proton irradiation on bulk samples, and (3) atomistic modeling to gain a fundamental understanding of defect formation in ZrC. The proposed project will cover the irradiation temperatures from cryogenic temperature to as high as 800{degree}C, and dose ranges from 0.1 to 100 dpa. The examination of this wide range of temperatures and doses allows us to obtain an experimental data set that can be effectively used to exercise and benchmark the computer calculations of defect properties. Combining the examination of radiation-induced microstructures mapped spatially and temporally, microstructural evolution during post-irradiation annealing, and atomistic modeling of defect formation and transport energetics will provide new, critical understanding about property changes in ZrC. The behavior of materials under irradiation is determined by the balance between damage production, defect clustering, and lattice response. In order to predict those effects at high temperatures so targeted testing can be expanded and extrapolated beyond the known database, it is necessary to determine the defect energetics and mobilities as these control damage accumulation and annealing. In particular, low-temperature irradiations are invaluable for determining the regions of defect mobility. Computer simulation techniques are particularly useful for identifying basic defect properties, especially if closely coupled with a well-constructed and complete experimental database. The close coupling of calculation and experiment in this project will provide mutual benchmarking and allow us to glean a deeper understanding of the irradiation response of ZrC, which can then be applied to the prediction of its behavior in reactor conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Evaluation of Aluminum-Boron Carbide Neutron Absorbing Materials for Interim Storage of Used Nuclear Fuel

The objective of this work was to understand the corrosion behavior of Boral® and Bortec® neutron absorbers over long-term deployment in a used nuclear fuel dry cask storage environment. Corrosion effects were accelerated by flowing humidified argon through an autoclave at temperatures up to 570°C. Test results show little corrosion of the aluminum matrix but that boron is leaching out of the samples. Initial tests performed at 400 and 570°C were hampered by reduced flow caused by the rapid build-up of solid deposits in the outlet lines. Analysis of the deposits by XRD shows that the deposits are comprised of boron trioxide and sassolite (H 3 BO 3 ). The collection of boron- containing compounds in the outlet lines indicated that boron was being released from the samples. Observation of the exposed samples using SEM and optical microscopy show the growth of new phases in the samples. These phases were most prominent in Bortec® samples exposed at 570°C. Samples of Boral® exposed at 570°C showed minimal new phase formation but showed nearly the complete loss of boron carbide particles. Boron carbide loss was also significant in Boral samples at 400°C. However, at 400°C phases similar to those found in Bortec® were observed. The rapid loss of the boron carbide particles in the Boral® is suspected to inhibit the formation of the new secondary phases. However, Material samples in an actual dry cask environment would be exposed to temperatures closer to 300°C and less water than the lowest test. The results from this study conclude that at the temperature and humidity levels present in a dry cask environment, corrosion and boron leaching will have no effect on the performance of Boral® and Bortec® to maintain criticality control.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Room-temperature Electrochemical Synthesis of Carbide-derived Carbons and Related Materials

This project addresses room-temperature electrochemical etching as an energy-efficient route to synthesis of 3D nanoporous carbon networks and layered 2D carbons and related structures, as well as provides fundamental understanding of structure and properties of materials produced by this method. Carbide-derived-carbons (CDCs) are a growing class of nanostructured carbon materials with properties that are desirable for many applications, such as electrical energy and gas storage. The structure of these functional materials is tunable by the choice of the starting carbide precursor, synthesis method, and process parameters. Moving from high-temperature synthesis of CDCs through vacuum decomposition above 1400°C and chlorination above 400°C, our studies under the previous DOE BES support led to identification of precursor materials and processing conditions for CDC synthesis at temperatures as low as 200°C, resulting in amorphous and highly reactive porous carbons. We also investigated synthesis of monolithic CDC films from carbide films at 250-1200°C. The results of our early studies provided new insights into CDC formation, led to development of materials for capacitive energy storage, and enabled fundamental understanding of the electrolyte ions confinement in nanoporous carbons.

10 SYNTHETIC FUELS↗
DOE OSTI2024

2D-EFICACY: Control of Metastable 2D Carbide[1]Chalcogenide Heterolayers: Strain and Moire Engineering

The experimental isolation of graphene led to the discovery of an entirely new world of two-dimensional (2D) materials in which the 2D nature often leads to emergent behaviors not seen in bulk systems. 2D transition metal dichalcogenides (TMDs) exhibit physico-chemical properties that depend on the transition metal, polymorph, thickness, and presence and type of defects. Recently, a group of thin (10-100nm) transition metal carbides (TMCs), such as Mo2C, has been synthesized that exhibit a thickness-dependent superconducting critical temperature (Tc). These thin TMCs are different from MXenes, another class of 2D materials consisting of few layers of nitrides or carbides (<5nm) produced by chemical etching and delamination. The goal of this renewal proposal is to combine experiment and computation to synthesize and elucidate the guiding principles that control the growth, orientation and strain of heterostacks of thin TMCs and TMDs composed with Nb, Ti and W. We expect to stabilize metastable hybrid phases of TMCs sandwiched between TMDs (H-TMD/Cs) with unprecedented physico-chemical properties. As part of previous DOE-funded work by the Terrones/Sinnott groups, thin (10-100 nm thick) Mo2C flakes were successfully synthesized by chemical vapor deposition (CVD). By subsequently exposing Mo2C to H2S, partial chalcogenization was achieved, resulting in heterostacks of MoCx phases and MoS2. The formation of MoS2 led to a deficiency of Mo atoms in the underlying Mo2C, resulting in an inhomogeneous phase change from α-Mo2C to γ’-MoCx and then to γ-MoC. The γ’-MoCx is a strained metastable phase and the heterostack of all three phases demonstrated an increased Tc relative to that of α-Mo2C, from 4 to 6K; its interleaved layered structure consisting of superconducting and semiconducting phases is ideal for future studies of Josephson junction series arrays. Moiré patterns in these heterostacked systems could result in new phenomena, as moiré patterns in bilayer graphene showed unconventional superconductivity and moiré excitons have been observed in twisted TMD heterobilayers. The scientific hypothesis of the proposed synergistic computational and experimental research is that orientation and strain control within confined thin metastable TMCs, sandwiched by stable phases of TMCs and layered TMDs, will depend on kinetic and thermodynamic “knobs” that include fast temperature changes, chalcogen diffusion through preferred crystallographic planes, reaction times, pressure, reactive atmosphere, precursors, and surfactants, which will also tailor properties such as superconductivity, magnetism, ferroelectricity, piezoelectricity, and catalytic performance. We will develop the guiding principles for the synthesis and stabilization of metastable H-TMD/Cs based on Nb, Ti and W. In order to validate the hypothesis, four tasks are proposed: The first task will synthesize ultra-thin TMCs based on Nb, W and Ti, by: 1) adapting the CVD method used for Mo2C, 2) plasma assisted CVD, 3) defect-mediated CVD processes, and 4) cryo-milling of carbide powders. The second task will accomplish the synthesis and basic physico-chemical characterizations of H-TMD/Cs by chalcogenization of the materials synthesized in task one, and by carbonization of TMDs. H-TMD/Cs will also be investigated for their suitability in energy conversion applications such as supercapacitors, Li and multivalent ion batteries, and electrocatalysts, topics of interest to DoE. These tasks will be carried out in close conjunction with density functional theory (DFT) calculations with insights into energetics, lattice parameters, stability, phase diagrams, band structures, and density of states of H-TMD/Cs. The third task will characterize and evaluate strain and moiré patterns at the interfaces of different H-TMD/Cs by high-resolution scanning transmission electron microscopy (HR-STEM), scanning tunneling microscopy (STM), and conductive tip atomic force microscopy. Nudged elastic band calculations with DFT will be performed to understand the chalcogen diffusion process, which will provide insights into the interfaces between different phases of TMCs and TMDs. The fourth task aims at quantifying the stability and dynamics of H-TMD/Cs by in-situ TEM and Raman studies under heating, strain, and electrical biasing. Phonon calculations using DFT will provide a basis for interpreting Raman spectra. This coherent framework involving synthesis, characterization, and computation will result in a broad scientific impact for energy related applications. The ability to develop new H-TMD/Cs will enhance a range of applications that include batteries, catalysts, switches, sensors, quantum computing components and smart coatings.

2-Dimensional materials↗
DOE OSTI2024

2D-EFICACY: Control of Metastable 2D Carbide Chalcogenide Heterolayers: Strain and Moire Engineering

The experimental isolation of graphene led to the discovery of an entirely new world of two-dimensional (2D) materials in which the 2D nature often leads to emergent behaviors not seen in bulk systems. 2D transition metal dichalcogenides (TMDs) exhibit physico-chemical properties that depend on the transition metal, polymorph, thickness, and presence and type of defects. Recently, a group of thin (10-100nm) transition metal carbides (TMCs), such as Mo 2 C, has been synthesized that exhibit a thickness-dependent superconducting critical temperature (Tc). These thin TMCs are different from MXenes, another class of 2D materials consisting of few layers of nitrides or carbides (<5nm) produced by chemical etching and delamination. The goal of this renewal proposal is to combine experiment and computation to synthesize and elucidate the guiding principles that control the growth, orientation and strain of heterostacks of thin TMCs and TMDs composed with Nb, Ti and W. We expect to stabilize metastable hybrid phases of TMCs sandwiched between TMDs (H-TMD/Cs) with unprecedented physico-chemical properties. As part of previous DOE-funded work by the Terrones/Sinnott groups, thin (10-100 nm thick) Mo 2 C flakes were successfully synthesized by chemical vapor deposition (CVD). By subsequently exposing Mo 2 C to H 2 S, partial chalcogenization was achieved, resulting in heterostacks of MoCx phases and MoS 2 . The formation of MoS 2 led to a deficiency of Mo atoms in the underlying Mo 2 C, resulting in an inhomogeneous phase change from α-Mo 2 C to γ’-MoCx and then to γ-MoC. The γ’-MoCx is a strained metastable phase and the heterostack of all three phases demonstrated an increased Tc relative to that of α-Mo 2 C, from 4 to 6K; its interleaved layered structure consisting of superconducting and semiconducting phases is ideal for future studies of Josephson junction series arrays. Moiré patterns in these heterostacked systems could result in new phenomena, as moiré patterns in bilayer graphene showed unconventional superconductivity and moiré excitons have been observed in twisted TMD heterobilayers. The scientific hypothesis of the proposed synergistic computational and experimental research is that orientation and strain control within confined thin metastable TMCs, sandwiched by stable phases of TMCs and layered TMDs, will depend on kinetic and thermodynamic “knobs” that include fast temperature changes, chalcogen diffusion through preferred crystallographic planes, reaction times, pressure, reactive atmosphere, precursors, and surfactants, which will also tailor properties such as superconductivity, magnetism, ferroelectricity, piezoelectricity, and catalytic performance. We will develop the guiding principles for the synthesis and stabilization of metastable H-TMD/Cs based on Nb, Ti and W. In order to validate the hypothesis, four tasks are proposed: The first task will synthesize ultra-thin TMCs based on Nb, W and Ti, by: 1) adapting the CVD method used for Mo 2 C, 2) plasma assisted CVD, 3) defect-mediated CVD processes, and 4) cryo-milling of carbide powders. The second task will accomplish the synthesis and basic physico-chemical characterizations of H-TMD/Cs by chalcogenization of the materials synthesized in task one, and by carbonization of TMDs. H-TMD/Cs will also be investigated for their suitability in energy conversion applications such as supercapacitors, Li and multivalent ion batteries, and electrocatalysts, topics of interest to DoE. These tasks will be carried out in close conjunction with density functional theory (DFT) calculations with insights into energetics, lattice parameters, stability, phase diagrams, band structures, and density of states of H-TMD/Cs. The third task will characterize and evaluate strain and moiré patterns at the interfaces of different H-TMD/Cs by high-resolution scanning transmission electron microscopy (HR-STEM), scanning tunneling microscopy (STM), and conductive tip atomic force microscopy. Nudged elastic band calculations with DFT will be performed to understand the chalcogen diffusion process, which will provide insights into the interfaces between different phases of TMCs and TMDs. The fourth task aims at quantifying the stability and dynamics of H-TMD/Cs by in-situ TEM and Raman studies under heating, strain, and electrical biasing. Phonon calculations using DFT will provide a basis for interpreting Raman spectra. This coherent framework involving synthesis, characterization, and computation will result in a broad scientific impact for energy related applications. The ability to develop new H-TMD/Cs will enhance a range of applications that include batteries, catalysts, switches, sensors, quantum computing components and smart coatings.

2-Dimensional Materials↗
NASA NTRSDate not supplied

Macro-scale Testing and Micromechanics Modeling of Fracture Behaviors for Boron Carbide Composites with Hierarchical Microstructures

With a unique combination of properties including high hardness, low density, wear and corrosion resistance, thermal stability, high neutron absorption, and semi-conductivity, boron carbide (B4C) is a candidate material for various engineering applications that involve extreme environment. The current applications of boron carbide, however, are limited by its intrinsic brittleness due to its strong covalent bonding. To toughen boron carbide, in this work hierarchical microstructure designs was used to provide multiple toughening mechanisms including crack deflection/bridging, micro-crack toughening, etc. Using field assisted sintering, B4C composites with hierarchical microstructure features including graphite platelets, micron and sub-micron sized TiB2 reinforcements were fabricated. The fracture toughness of fabricated B4C composites were previously measured at micro-scale using micro-indentation followed by post-testing microstructure inspection. However, questions including whether the fracture toughness enhancement measured at micro-scale can translate to macro-scale mechanical properties, and what are the fundamental mechanisms behind observed fracture toughness enhancement, remain to be answered. In this study, the fabricated B4C composites were tested using standardized four-point bending method to obtain fracture toughness at macro-scale. In addition, micromechanics modeling was conducted using MAC/GMC code and crack-band model to study the effect of residual stress and weak interphases on fracture behaviors of B4C composites reinforced with TiB2 particles. Through standardized four-point bending tests, fracture toughness enhancements up to 2.85, 3.32, and 3.65 MPa∙m(exp 1/2) (from 2.38 MPa∙m(exp 1/2)) were achieved for B4C composites with graphite platelets addition (micro/nano B4C), with TiB2 formation (micro B4C-TiB2), and with both graphite and TiB2 addition (micro/nano B4C-TiB2) respectively. Micromechanics modeling indicated that introduction of thermal residual stress and weak interphases caused enhanced micro-cracking behavior and resulted in the observed fracture toughness enhancement. These results furthered understanding about the mechanical behaviors at macro-scale and the mechanisms behind observed fracture toughness enhancement for B4C composites with hierarchical microstructures and can provide reference data for the future design of B4C composites with optimized microstructures for further fracture toughness enhancement.

Boron Carbide↗
DOE OSTI2020

Evaluations of Silicon Carbide Temperature Monitors

The effect of irradiation on materials properties is an important field of study for materials usage in both fission and fusion systems for energy production. Neutron flux and energy spectrums are well understood; however, the irradiation temperature can be more difficult to determine. Since the early 1960s, Silicon Carbide (SiC) has been used as a passive post-irradiation temperature monitor because the irradiation defects anneal out above the irradiation temperature. Irradiation temperature is determined by measuring a property change after isochronal annealing or during a continuously monitored annealing process. There are many properties that may be measured including electrical resistivity, bulk density, dimensions, thermal diffusivity, or lattice spacing. Electrical resistivity is accepted as a robust measurement technique; however, such method is time-consuming since the steps involved must be performed in a serial manner. The use of thermal expansion from continuous dilatometry is an automated process requiring minimal setup time. As part of a Nuclear Science User Facilities (NSUF) project, low dose silicon carbide monitors were irradiated in the BR2 material test reactor at SCK, Belgium, and were then evaluated at the Idaho National Laboratory (INL) High Temperature Test Laboratory (HTTL) to determine their peak temperature achieved during irradiation. The technical significance of this work was that the monitors were irradiated to a dose that was significantly less than recommended in published literature. This paper will discuss the evaluation processes available at HTTL and the performance of the low dose silicon carbide temperature monitors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Irradiation - High heat flux synergism in silicon carbide-based fuel claddings for light water reactors

Silicon carbide-based fuel cladding for light water reactors is anticipated to develop a unique stress state as a combined result from the high radial heat flux and irradiation-induced swelling assisted by thermal conductivity decrease. In order to verify the multi-physics finite-element analysis of this unique stress state, a novel experiment capturing the synergism of a high radiation field and a high radial heat flux in tubular silicon carbide specimens had been designed and implemented in the High Flux Isotope Reactor, Oak Ridge National Laboratory. In this experiment, small diameter tube test specimens made of monolithic or composite silicon carbide were irradiated to a dose of ∼2x10{sup 25} n/m{sup 2} (E > 0.1 MeV) under a radial heat flux of ∼0.6 MW/m{sup 2} while the outer surface temperature was maintained at a target temperature of about 300 Celsius degrees achieving a steep temperature gradient through the cladding wall thickness. The primary objective of the present paper is to discuss the technical planning and execution of the experiment. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Control of Carbon Content in Ultrafine Cemented Carbide by Heat Treatment in Reducing Atmospheres Containing Carbon Oxides

In this work, the method of control of carbon content in the ultrafine-grained cemented carbide alloy was proposed. The treating of the WC-8Co-0.4VC-0.4Cr{sub 3}C{sub 2} compacts was made in a CO + CO{sub 2} gas mixture at CO concentrations from 0 to 80 vol.% during 50 min at the initial stage of the conventional sintering at a temperature of 700 °C. Conditions for increasing and decreasing the carbon content are CO concentrations of CO in gas mix more than 65 vol.% and less than 35 vol.%, respectively. It is shown that even a small deviation from the stoichiometric carbon content (0.3 wt.%) leads to an increase in porosity and a multiple decrease in the strength of the ultrafine-grained cemented carbide. A comparative analysis with literature data showed that the obtained ultrafine-grained solid alloy WC-8Co-0.4VC-0.4Cr{sub 3}C{sub 2} with stoichiometric composition is not inferior in hardness and toughness to the analogs obtained by hot pressing and electrospark sintering.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Silicon-On-Silicon Carbide Platform for Integrated Photonics

Silicon carbide (SiC)'s nonlinear optical properties and applications to quantum information have recently brought attention to its potential as an integrated photonics platform. However, despite its many excellent material properties, such as large thermal conductivity, wide transparency window, and strong optical nonlinearities, it is generally a difficult material for microfabrication. Here, it is shown that directly bonded silicon-on-silicon carbide can be a high-performing hybrid photonics platform that does not require the need to form SiC membranes or directly pattern in SiC. The optimized bonding method yields defect-free, uniform films with minimal oxide at the silicon–silicon–carbide interface. Ring resonators are patterned into the silicon layer with standard, complimentary metal–oxide–semiconductor (CMOS) compatible (Si) fabrication and measure room-temperature, near-infrared quality factors exceeding 10 5 . The corresponding propagation loss is 5.7 dB cm -1 . The process offers a wafer-scalable pathway to the integration of SiC photonics into CMOS devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High‐Pressure Synthesis and Recovery of Single Crystals of the Metastable Manganese Carbide, MnC x

Abstract Transition metal carbides find widespread use throughout industry due to their high strength and resilience under extreme conditions. However, they remain largely limited to compounds formed from the early d‐block elements, since the mid‐to‐late transition metals do not form thermodynamically stable carbides. We report here the high‐pressure bulk synthesis of large single crystals of a novel metastable manganese carbide compound, MnC x (P6 3 /mmc), which adopts the anti‐NiAs‐type structure with significant substoichiometry at the carbon sites. We demonstrate how synthesis pressure modulates the carbon loading, with ~40 % occupancy being achieved at 9.9 GPa.

Chemistry↗
DOE OSTI2016

Computational investigation on CO 2 adsorption in titanium carbide-derived carbons with residual titanium

We develop a new approach for modeling titanium carbide derived-carbon (TiC-CDC) systems with residual titanium by the generation of modified atomistic structures based on a silicon carbide derived-carbon (SiC-CDC) model and the application of weighted combinations of these structures. In our approach, the original SiC-CDC structure is modified by (i) removing carbon, (ii) adding carbon and (iii) adding titanium. The new atomic scale carbide-derived carbon (CDC) structures are investigated using classical molecular dynamics simulations, and their pure CO 2 adsorption isotherms are calculated using grand canonical Monte Carlo simulations. The system of TiC-CDC with residual titanium is modeled as weighted combinations of pure carbon CDC structures, CDC structures with titanium and a TiC crystalline structure. Our modeling is able to produce both structural properties and adsorption isotherms in accordance with experimental data. The fraction of different models in the systems successfully reflects the structural differences in various experimental TiC-CDC samples. The modeling also suggests that in partially etched TiC-CDC systems, the titanium that may be accessible to CO 2 gas at the transitional interface may provide significant interaction sites for CO 2 and may lead to more efficient overall gas adsorption.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Quantification of silicon carbide grain structure in TRISO fuel by BSE image analysis

The grain structure of the silicon carbide (SiC) layer in tristructural-isotropic (TRISO) fuels has commonly been qualified in fuel specifications based on a qualitative comparison to visual standards to ensure undesirable microstructure are not produced. This approach is inherently dependent on subjective judgement and provides limited data for analysis or comparison. An alternative method to rapidly quantify (i.e., provide a numeric measure of) the grain structure of the SiC layer in TRISO fuels has been developed. This method relies on the identification of silicon carbide grain boundaries based on brightness variation in backscattered electron (BSE) images through the application of automated image processing algorithms. The speed with which the requisite BSE imaging and analysis may be completed enables the practical use of this method on an industrial scale as a part of qualifying TRISO fuel to meet a given specification on silicon carbide grain structure, which is an important parameter for TRISO fuel performance. The method is benchmarked by comparison to prior Electron-Backscattered Diffraction (EBSD) results for TRISO particles from the Advanced Gas Reactor (AGR) program.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Secondary carbides in high chromium cast irons: An alternative approach to their morphological and spatial distribution characterization

Highlights: • Systematic characterization of second phase particles by combining a variety of techniques • Comparison of morphological parameters obtained from SEM, BSE, etching+CLSM and EBSD • Quantitative analysis and degree of distribution of secondary carbides • Particle size, distribution and morphology from image analysis of CLSM, SEM and EBS images - Abstract: Secondary carbides precipitated in high chromium cast irons during thermal treatments were characterized by means of different characterization techniques, including scanning electron microscopy, energy dispersive X-ray spectroscopy, electron backscattered diffraction and a combination of chemical etching with confocal scanning laser microscopy. This set of techniques provides a full morphological, chemical and crystallographic description of the analysed phases. This work evaluated different methods for optimizing the image acquisition for a further image analysis (IA) based on the threshold binarization. Finally, the carbide size, distribution and morphology were determined after IA of the images acquired by aforementioned characterization techniques. Although the different techniques report some dispersion in the value for the average particle size, the particle inter-spacing and aspect ratio meet within the error value. The proposed characterization methodology provides statistically reliable data for a further evaluation of related physical properties in composites.

36 MATERIALS SCIENCE↗