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At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A comprehensive review of diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) techniques in protonic ceramic cells (PCCs): Current status and future perspective

Protonic ceramic cells (PCCs) have emerged as a promising technology for power generation, energy storage, and value-added chemical synthesis, offering benefits such as fuel flexibility, low emissions, and efficient operation at intermediate temperatures (300–600 ​°C). Recently, significant breakthroughs in materials and manufacturing methods have markedly enhanced the performance of PCCs. However, establishing a fundamental understanding of their electrocatalytic reactions has gained less attention. As a fast and cost-effective method for physicochemical fingerprinting, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) has proven to be a surface-sensitive analytical tool for structural and functional studies. This review critically examines the most up-to-date applications of DRIFTS for characterizing key components of PCCs, including oxygen electrodes, protonic electrolytes, and hydrogen electrodes for different applications, with a focus on revealing hydration properties and catalytic reactions, and guiding rational material design. The challenges for advancing DRIFTS, including quantitative capabilities and operando applications for PCC investigations, are highlighted and strategies to tackle these challenges are discussed. Ultimately, this review underscores the critical role of DRIFTS in accelerating the development of high-performance and durable PCCs for next-generation energy solutions, offering methodologies and insights broadly applicable to a wide range of electrochemical energy conversion and storage technologies.

Diffuse Reflectance Infrared Fourier Transform Spe↗
NASA NTRSDate not supplied

Composite Materials Handbook 17 (CMH-17) Volume 5—Ceramic Matrix Composites

The Composite Materials Handbook‐17 (CMH‐17) Volume 5 for Ceramic Matrix Composites (formerly MIL-HANDBOOK-17) provides the information and guidance necessary to design, fabricate, and implement ceramic matrix composite (CMC) components in aviation applications. This presentation provides an overview of the handbook content, and covers the objectives and activities of the Working Groups that are preparing new content and revising existing text for the next revision. The five Working Groups are: 1) Data Review, 2) Testing, 3) Materials & Processes, 4) Design & Analysis, and 5) Engine Applications. The goal is to release Revision B in 2023. While the handbook is focused on the application of SiC/SiC and Ox/Ox CMCs and EBCs (environmental barrier coatings), the methodologies (testing, data analysis, characterization, etc.) are also applicable to other CMC systems, and the intent is to start incorporating information for Carbon/Carbon (C/C) composites.

Environmental barrier coating (EBC)↗
DOE OSTI2024

Interpreting strain tensor data to characterize and monitor reservoirs for CO2 storage and other applications

Recent advances in instrumentation have made it feasible to measure the transient strain tensor caused by small changes in fluid volume or pressure in the subsurface and this has opened the door to new opportunities for characterization and monitoring. We have deployed strainmeters and then conducted injection well tests in an underlying reservoir at 530m depth. The resulting data indicated that the horizontal strain at shallow strainmeters (30 to 40m depth) was tensile and the vertical strain was compressive. The radial strain was less than the horizontal strain, and the strain rates decreased from 100 nanostrain/day to roughly 10 n/d over a few days. The signal at two strainmeters at shallow depth were consistent, although the magnitude of the horizontal strains were different reflecting the different radial directions from the well. The signal at a deep strainmeter deployed at reservoir depth was much different, with tensile vertical strains and compressive horizontal strains. These data can be interpreted by inverting poroelastic forward models developed using numerical and analytical methods. The average horizontal strain in the caprock resembles the transient pressure in the underlying reservoir and classic type-curve methods from transient well testing can be used for preliminary interpretations of strain data. We have developed closed-form analytical solutions to a pressurized poroelastic inclusion and inhomogeneity in a half-space. This model is fast and can be inverted to estimate reservoir stiffness and geometry. Numerical models developed using finite element methods allow more details of the subsurface to be included in the inversion, but they require much longer run times and this makes inversion cumbersome using standard methods. We have developed an inversion approach that uses a proxy model created using machine learning to do most of the forward calculations. The proxy model is periodically updated and refined using the finite element model to ensure accuracy. This approach significantly reduces the computational requirements and makes it feasible to use Bayesian inversion with large numerical models. We have shown that the strain tensor in the caprock is sensitive to pressure in the reservoir, boundaries in the reservoir, and pressure in the caprock caused by leaks. These results indicate that coupling strain tensor data with inversion has the potential to help evaluate reservoirs during initial characterization, and to monitor them during the CO2 injection and storage process.

Murdoch, Larry↗
DOE OSTI2024

CCUS 2024, Interpreting the strain tensor Larry Murdoch Interpreting strain tensor data to characterize and monitor reservoirs for CO2 storage and other applications

Recent advances in instrumentation have made it feasible to measure the transient strain tensor caused by small changes in fluid volume or pressure in the subsurface and this has opened the door to new opportunities for characterization and monitoring during CCUS. We have demonstrated this method by deploying strainmeters at shallow depths (30 to 40m) and then conducting injection well tests in an underlying reservoir at 530m depth. The resulting data indicated that the horizontal strain at shallow strainmeters was tensile and the vertical strain was compressive. The radial strain was less than the horizontal strain, and the strain rates decreased from 100 nanostrain/day to roughly 10 ne/d over a few days (1 nanostrain = 1 part per billion strain). We then used the strain data to estimate reservoir properties, geometry and pressure through inversion of poroelastic forward models using both numerical and novel analytical methods. The average horizontal strain in the caprock resembles the transient pressure in the underlying reservoir and classic type-curve methods from transient well testing can be used for preliminary interpretations of strain data. We have developed fast, closed-form analytical solutions to a pressurized poroelastic inclusion and inhomogeneity in a half-space. Numerical models developed using finite element methods allow more details of the subsurface to be included in the inversion, but they require much longer run times and this makes inversion cumbersome using standard methods. We have developed an inversion approach that uses a proxy model created using machine learning to do most of the forward calculations. This approach markedly reduces the computational requirements and makes it feasible to use Bayesian inversion with large numerical models. Bayesian inversion is important because it provides predictions with uncertainties, which makes the results useful for decision making. We have shown with field tests and simulations that the strain tensor in the caprock is sensitive to pressure in the reservoir, reservoir properties and boundaries, and pressure in the caprock caused by leaks. These results indicate that measuring and interpreting the shallow strain tensor could be a valuable tool for both initial reservoir characterization efforts and long-term monitoring during CCUS. Recent advances in instrumentation have made it feasible to measure the transient strain tensor caused by small changes in fluid volume or pressure in the subsurface and our objective was to evaluate opportunities for strain monitoring during characterization and monitoring for CCUS. Our approach was to deploy strainmeters at shallow depths (30 to 40m) and then conduct injection well tests in an underlying reservoir at 530m depth. The results indicate that the horizontal strain at shallow strainmeters was tensile and the vertical strain was compressive. The radial strain was less than the horizontal strain, and the strain rates decreased from 100 nanostrain/day to roughly 10 ne/d over a few days (1 nanostrain = 1 part per billion strain). We then used the strain data to estimate reservoir properties, geometry and pressure through inversion of poroelastic forward models using both numerical and novel analytical methods. The average horizontal strain in the caprock resembles the transient pressure in the underlying reservoir and classic type-curve methods from transient well testing can be used for preliminary interpretations of strain data. We have developed fast, closed-form analytical solutions to a pressurized poroelastic inclusion and inhomogeneity in a half-space. Numerical models developed using finite element methods allow more details of the subsurface to be included in the inversion, but they require much longer run times and this makes inversion cumbersome using standard methods. We have developed an inversion approach that uses a proxy model created using machine learning to do most of the forward calculations. This approach markedly reduces the computational requirements and makes it feasible to use Bayesian inversion with large numerical models. Bayesian inversion is important because it provides predictions with uncertainties, which makes the results useful for decision making. In conclusion, we have shown with field tests and simulations that the strain tensor in the caprock is sensitive to pressure in the reservoir, reservoir properties and boundaries, and pressure in the caprock caused by leaks. These results indicate that measuring and interpreting the shallow strain tensor could be a valuable tool for both initial reservoir characterization efforts and long-term monitoring during CCUS.

Murdoch, Larry↗
NASA NTRS2009

Synthesis, Characterization, and Processing of Copper, Indium, and Gallium Dithiocarbamates for Energy Conversion Applications

Ten dithiocarbamate complexes of indium(III) and gallium(III) have been prepared and characterized by elemental analysis, infrared spectra and melting point. Each complex was decomposed thermally and its decomposition products separated and identified with the combination of gas chromatography/mass spectrometry. Their potential utility as photovoltaic materials precursors was assessed. Bis(dibenzyldithiocarbamato)- and bis(diethyldithiocarbamato)copper(II), Cu(S2CN(CH2C6H5)2)2 and Cu(S2CN(C2H5)2)2 respectively, have also been examined for their suitability as precursors for copper sulfides for the fabrication of photovoltaic materials. Each complex was decomposed thermally and the products analyzed by GC/MS, TGA and FTIR. The dibenzyl derivative complex decomposed at a lower temperature (225-320 C) to yield CuS as the product. The diethyl derivative complex decomposed at a higher temperature (260-325 C) to yield Cu2S. No Cu containing fragments were noted in the mass spectra. Unusual recombination fragments were observed in the mass spectra of the diethyl derivative. Tris(bis(phenylmethyl)carbamodithioato-S,S'), commonly referred to as tris(N,N-dibenzyldithiocarbamato)indium(III), In(S2CNBz2)3, was synthesized and characterized by single crystal X-ray crystallography. The compound crystallizes in the triclinic space group P1(bar) with two molecules per unit cell. The material was further characterized using a novel analytical system employing the combined powers of thermogravimetric analysis, gas chromatography/mass spectrometry, and Fourier transform infrared (FT-IR) spectroscopy to investigate its potential use as a precursor for the chemical vapor deposition (CVD) of thin film materials for photovoltaic applications. Upon heating, the material thermally decomposes to release CS2 and benzyl moieties in to the gas phase, resulting in bulk In2S3. Preliminary spray CVD experiments indicate that In(S2CNBz2)3 decomposed on a Cu substrate reacts to produce stoichiometric CuInS2 films.

Duraj, S. A.↗
DOE OSTI2017

TUNABLE IRRADIATION TESTBED

PNNL has developed and continues to develop innovative methods for characterizing irradiated materials from nuclear reactors and particle accelerators for various clients and collaborators around the world. The continued development of these methods, in addition to the ability to perform unique scientific investigations of the effects of radiation on materials could be greatly enhanced with easy access to irradiation facilities. A Tunable Irradiation Testbed with customized targets (a 30 MeV, 1mA cyclotron or similar coupled to a unique target system) is shown to provide a much more flexible and cost-effective source of irradiating particles than a test reactor or isotopic source. The configuration investigated was a single shielded building with multiple beam lines from a small, flexible, high flux irradiation source. Potential applications investigated were the characterization of radiation damage to materials applicable to advanced reactors, fusion reactor, legacy waste, (via neutron spectra tailored to HTGR, molten salt, LWR, LMR, fusion environments); 252Cf replacement; characterization of radiation damage to materials of interest to High Energy Physics to enable the neutrino program; and research into production of short lived isotopes for potential medical and other applications.

Wootan, David W.↗
DOE OSTI2017

TUNABLE IRRADIATION TESTBED

PNNL has developed and continues to develop innovative methods for characterizing irradiated materials from nuclear reactors and particle accelerators for various clients and collaborators around the world. The continued development of these methods, in addition to the ability to perform unique scientific investigations of the effects of radiation on materials could be greatly enhanced with easy access to irradiation facilities. A Tunable Irradiation Testbed with customized targets (a 30 MeV, 1mA cyclotron or similar coupled to a unique target system) is shown to provide a much more flexible and cost-effective source of irradiating particles than a test reactor or isotopic source. The configuration investigated was a single shielded building with multiple beam lines from a small, flexible, high flux irradiation source. Potential applications investigated were the characterization of radiation damage to materials applicable to advanced reactors, fusion reactor, legacy waste, (via neutron spectra tailored to HTGR, molten salt, LWR, LMR, fusion environments); 252Cf replacement; characterization of radiation damage to materials of interest to High Energy Physics to enable the neutrino program; and research into production of short lived isotopes for potential medical and other applications.

Wootan, David W.↗
NASA NTRS1992

SiC device development for high temperature sensor applications

Progress made in the processing and characterization of 3C-SiC for high temperature sensor applications is reviewed. Piezoresistance properties of silicon carbide and the temperature coefficient of resistivity of n-type beta-SiC are presented. In addition, photoelectrical etching and dopant selective etch-stops in SiC and high temperature Ohmic contacts for n-type beta-SiC sensors are discussed.

Shor, J. S.↗
DOE OSTI2019

Using Deep Learning for Automated Communication Pattern Characterization: Little Steps and Big Challenges

Characterization of a parallel application’s communication patterns can be useful for performance analysis, debugging, and system design. However, obtaining and interpreting a characterization can be difficult. AChax implements an approach that uses search and a library of known communication patterns to automatically characterize communication patterns. Our approach has some limitations that reduce its effectiveness for the patterns and pattern combinations used by some real-world applications. By viewing AChax’s pattern recognition problem as an image recognition problem, it may be possible to use deep learning to address these limitations. In this position paper, we present our current ideas regarding the benefits and challenges of integrating deep learning into AChax and our conclusion that a hybrid approach combining deep learning classification, regression, and the existing AChax approach may be the best long-term solution to the problem of parameterizing recognized communication patterns.

Roth, Philip↗
DOE OSTI2016

Chemical and Sr isotopic characterization of North America uranium ores: Nuclear forensic applications

This study reports major, minor, and trace element data and Sr isotope ratios for 11 uranium ore (uraninite, UO 2+x ) samples and one processed uranium ore concentrate (UOC) from various U.S. deposits. The uraninite investigated represent ores formed via different modes of mineralization (e.g., high- and low-temperature) and within various geological contexts, which include magmatic pegmatites, metamorphic rocks, sandstone-hosted, and roll front deposits. In situ trace element data obtained by laser ablation-ICP-MS and bulk sample Sr isotopic ratios for uraninite samples investigated here indicate distinct signatures that are highly dependent on the mode of mineralization and host rock geology. Relative to their high-temperature counterparts, low-temperature uranium ores record high U/Th ratios (>1000), low total rare earth element (REE) abundances (<1 wt%), high contents (>300 ppm) of first row transition metals (Sc, Ti, V, Cr, Mn, Co, Ni), and radiogenic 87 Sr/ 86 Sr ratios (>0.7200). Comparison of chondrite normalized REE patterns between uraninite and corresponding processed UOC from the same locality indicates identical patterns at different absolute concentrations. Lastly, this result ultimately confirms the importance of establishing geochemical signatures of raw, uranium ore materials for attribution purposes in the forensic analysis of intercepted nuclear materials.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2018

Application of sequential extraction and hydrothermal treatment for characterization and enrichment of rare earth elements from coal fly ash

Rare earth elements (REE) play a critical role in the global economy. The concern about the REE supply challenge has stimulated global interest in recovering REE from alternative non-conventional REE sources such as coal fly ash. In this paper, sequential extraction, physical separations and hydrothermal alkaline treatment were explored for characterization and enrichment of REE from coal fly ash. Seven-step sequential extraction of coal fly ash has demonstrated that 86.1% of total REE were associated with the glassy phase of the fly ash, with the remaining REE mainly distributed in the organic and sulfides phase (8.3%), the exchangeable phase (3.7%), and the carbonates phase (1.5%). A process combining physical separations, namely, particle size separation and magnetic separation, and hydrothermal alkaline treatment was proposed for enrichment of REE from coal fly ash. The optimal hydrothermal alkaline treatment condition was determined. It was demonstrated that NaOH concentration, solid-to-liquid ratio, temperature, and reaction duration had significant influence on ash dissolution in NaOH solution. Grinding could also enhance ash dissolution during subsequent hydrothermal alkaline treatment. Furthermore REE were enriched from coal fly ash from 325 mg/kg to 877 mg/kg via the proposed process under optimal hydrothermal alkaline treatment conditions.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

The application of synchrotron micro-computed tomography to characterize the three-dimensional microstructure in irradiated nuclear fuel

This research demonstrated the first time that synchrotron X-ray micro-computed tomography (μ-CT) was utilized to analyze the three-dimensional (3-D) morphology of the microstructure of irradiated nuclear fuel. Both absorption contrast and propagation-based phase contrast enhanced μ-CT techniques were evaluated. Porosity and phase region volumes were determined in neutron irradiated uranium 10 wt.% zirconium (U-10Zr) using propagation-based phase contrast enhanced μ-CT. Volumes were determined by image processing software and algorithms, with the porosity volume subsequently compared to the ASTM E562 method. The 3-D porosity of a small region (~ 8 x 10 5 µm 3 ) located in the intermediate fuel redistribution zone that was removed via a focused ion beam was determined to be 7.2% via image processing. A detailed 3-D analysis of the porosity with respect to volume and morphology was provided. Five growth stages of pore evolution were observed including: nucleation, growth, coalescence, interconnected porosity, and extended/interconnected porosity. Four distinct phase regions were identified, including the pores, via both absorption contrast and propagation-based phase contrast enhanced μ-CT. A quantitative comparison of fuel swelling between this localized microscopic U-10Zr fuel region, previously irradiated in the Fast Flux Test Facility, and historic U-10Zr fuels irradiated in the Experimental Breeder Reactor-II (EBR-II) was conducted. It was determined that for similar burnups, the localized swelling in this microscopic fuel region was 7.7%, which was approximately one-half of the value of the macroscopic swelling reported in EBR-II irradiated fuel. With the advent of new specimen preparation tools for irradiated materials, as well as advances in characterization techniques, researchers can now obtain previously inaccessible microstructural insight into irradiated fuels. This possibility naturally lends itself to improved fuel performance models for the nuclear community.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Structural characterization of chitosan-smectite nanocomposite and its application in the development of a novel potentiometric monohydrogen phosphate-selective sensor

Highlights: • Protonated chitosan molecules intercalated into the smectite layers as monolayered arrangement. • A novel HPO{sub 4}{sup 2−} selective potentiometric electrode based on the chitosan-smectite nanocomposite was constructed. • Easy to prepare, low-cost, and highly selective potentiometric sensor. - Abstract: Chitosan-smectite biocomposite was prepared by intercalation of protonated chitosan molecules into the interlayer space of smectite in monolayer arrangement through cation exchange mechanism and the obtained biocomposite was successfully used as an electroactive component in the structure of a PVC membrane potentiometric sensor for the direct and highly selective determination of monohydrogen phosphate ions. The comparative elemental, structural, thermal and morphological analysis of starting-smectite, neat chitosan and chitosan-smectite were investigated by utilizing EDX, XRD, ATR-FTIR, TG/DTG/DTA, SEM and surface area measurement techniques. The optimum membrane composition, detection limit, response time, pH working range and repeatability of the proposed electrode were determined.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Synthesis and Characterization of Amorphous Lawsone Polymer Dots for Fluorescent Applications

In this work, a two-step hydrothermal/solvothermal process was developed to generate highly fluorescent lawsone polymer dots (LPDs) utilizing an inexpensive and abundant starting material, 2-hydroxy-1,4-napththoquinone (lawsone). This hydrothermal/solvothermal process produces LPDs that have excitation independent emission with well-defined electronic transitions. This two-step protocol provides a straightforward approach to remove unwanted small molecular fluorescence, which has plagued carbon dot systems, without the need for advanced chromatographic purification methods or steps. A series of spectroscopic, electrochemical, and theoretical experiments suggest that this process proceeds via a sequential dehydration and dehydrogenation pathway to cross-link the lawsone into a carbon dot structure. This polymerization process helps to stabilize and favor certain electronic transitions inherently present in the lawsone monomer. The generation of the LPDs results in a 2 order of magnitude increase in the emission intensity and a quantum yield of 37%. This behavior is likely the result of the cross-linked structure shielding these electronic states from deactivation caused by nonradiative processes such as vibrational coupling and excited state quenching from thermal deactivation and solvent collisions. This finding is consistent with a cross-linked enhanced emission (CEE) mechanism, as previously observed for other similar systems. The LPDs were then incorporated into a TiO2 photoanode and utilized as a photosensitizer in a dye-sensitized solar cell (DSSC) which showed an enhancement in photocurrent density over pure TiO2. We also prepared a derivative of the LPDs utilizing a diethylene triamine additive (nitrogen-doped lawsone polymer dots (N-LPDs)) using the same two-step protocol and demonstrated its potential as a fluorescence microscopy dye for imaging MDA-MB-231 cancer cells.

36 MATERIALS SCIENCE↗
DOE OSTI2016

SU-F-T-578: Characterization of Vidar DosimetryPro Advantage RED Scanner with Application to SBRT and SRS QA

Purpose: To use Gafchromic EBT3 film to quantify key dosimetric characteristics of the Vidar DosimetryPro Advantage RED film scanner for use in SBRT/SRS QA, by analyzing scanner uniformity and dose sensitivity. Method: Gafchromic EBT3 film was used in this study. Films were irradiated using 6MV FFF and 10MV FFF beams from a Varian Edge linear accelerator, with setup of 100cm SAD at depth 5 cm. Nine doses were delivered per film, with calibration dose ranges of 1–10 Gy and 3–24 Gy for 6MV FFF, and 3–27 Gy for 10MV FFF. Films were scanned with the long side of the film parallel to the detector array. Dose calibration curves were fitted to a 3rd degree polynomial. The derivative of a calibration curve was taken to determine the scanner’s sensitivity per dose delivered (OD/Gy). Scanner non-uniformity was calculated in 2 dimensions by taking the mean of standard deviation in each row and column. Absolute dose SRS/SBRT Gamma analyses were performed with passing criteria of 3% and 1mm DTA. For comparison, Gamma analyses were also performed using an Epson Expression 10000 XL. Results: Uniformity for the Vidar scanner was 0.37% +/− 0.03% in the perpendicular to scan direction and 0.67% +/− 0.05% in the parallel to scan direction, with an overall uniformity of 0.52% +/− 0.03%. Epson red channel uniformity was 0.85% +/− 0.05% and 0.88% +/− 0.08% for the green channel. The Vidar average dose sensitivity from 1–10 Gy was 0.112 OD/Gy and 0.061 OD/Gy for 3–24 Gy. SBRT/SRS Gamma pass rates were 97.8 +/− 1.4 for Vidar and 97.5 +/− 1.4 for Epson. Conclusion: The Vidar scanner has 41% less non-uniformity compared to Epson XL10000 green channel. The dose sensitivity is 2–3 time greater for the Vidar scanner compared to the Epson in the SRS/SBRT dose range of 5–24 Gy.

60 APPLIED LIFE SCIENCES↗