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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2021

Electrochemical and spectroelectrochemical characterization of bacteria and bacterial systems

Microbes, such as bacteria, can be described, at one level, as small, self-sustaining chemical factories. Based on the species, strain, and even the environment, bacteria can be useful, neutral or pathogenic to human life, so it is increasingly important that we be able to characterize them at the molecular level with chemical specificity and spatial and temporal resolution in order to understand their behavior. Bacterial metabolism involves a large number of internal and external electron transfer processes, so it is logical that electrochemical techniques have been employed to investigate these bacterial metabolites. In this mini-review, we focus on electrochemical and spectroelectrochemical methods that have been developed and used specifically to chemically characterize bacteria and their behavior. First, we discuss the latest mechanistic insights and current understanding of microbial electron transfer, including both direct and mediated electron transfer. Second, we summarize progress on approaches to spatiotemporal characterization of secreted factors, including both metabolites and signaling molecules, which can be used to discern how natural or external factors can alter metabolic states of bacterial cells and change either their individual or collective behavior. Finally, we address in situ methods of single-cell characterization, which can uncover how heterogeneity in cell behavior is reflected in the behavior and properties of collections of bacteria, e.g. bacterial communities. Recent advances in (spectro)electrochemical characterization of bacteria have yielded important new insights both at the ensemble and the single-entity levels, which are furthering our understanding of bacterial behavior. Furthermore, these insights, in turn, promise to benefit applications ranging from biosensors to the use of bacteria in bacteria-based bioenergy generation and storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Electromagnetic diagnostic techniques for hypervelocity projectile detection, velocity measurement, and size characterization: Theoretical concept and first experimental test

A new measurement technique is suggested to augment the characterization and understanding of hypervelocity projectiles before impact. The electromagnetic technique utilizes magnetic diffusion principles to detect particles, measure velocity, and indicate relative particle dimensions. It is particularly suited for detection of small particles that may be difficult to track utilizing current characterization methods, such as high-speed video or flash radiography but can be readily used for large particle detection, where particle spacing or location is not practical for other measurement systems. In this work, particles down to 2 mm in diameter have been characterized while focusing on confining the detection signal to enable multi-particle characterization with limited particle-to-particle spacing. The focus of the paper is on the theoretical concept and the analysis of its applicability based on analytical and numerical calculation. First proof-of-principle experimental tests serve to further validate the method. Some potential applications are the characterization of particles from a shaped-charge jet after its break-up and investigating debris in impact experiments to test theoretical models for the distribution of particles size, number, and velocity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Efficient Region of Attraction Characterization for Control and Stabilization of Load Tap Changer Dynamics

In this article, we study the monitoring and control of long-term voltage stability considering load tap changer (LTC) dynamics. We show that under generic conditions, the LTC dynamics admit a unique stable equilibrium. For the stable equilibrium, we characterize an explicit inner approximation of its largest region of attraction (ROA). Compared to existing results, the computational complexity of the ROA characterization is drastically reduced. We propose a quadratically constrained linear program formulation for the ROA characterization problem. In addition, we formulate a second-order cone program for online voltage stability monitoring and control exploiting the proposed ROA characterization. Finally, we demonstrate the efficacy of the proposed formulations on the ROA characterization and stability monitoring and control using a standard IEEE test system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

Image-based pupil plane characterization via a space-domain basis

© 2017 Society of Photo-Optical Instrumentation Engineers (SPIE). Aberration characterization plays a critical role in the development of any optical system. State-of-the-art lithography systems have the tightest aberration tolerances. We present an approach to image-based pupil plane amplitude and phase characterization using models built with a space-domain basis, in which aberration effects are separable. A polynomial model is constructed between the projections of the image intensity for chosen binary mask targets onto this basis and pupil amplitude or phase variation. This method separates model building and pupil characterization into two distinct steps, thus enabling rapid pupil characterization following data collection. The basis is related to both the transmission cross-coefficient function and the principal components of the image intensity. The pupil plane variation of a zone-plate lens from the Semiconductor High-NA Actinic Reticle Review Project (SHARP) at Lawrence Berkeley National Laboratory is examined using this method. Results are compared to pupil plane characterization using a previously proposed methodology where inverse solutions are obtained through an iterative process involving least-squares regression.

Levinson, Zac↗
DOE OSTI2022

Random quasi-phase-matching for pulse characterization from the near to the long wavelength infrared

Experiments requiring ultrafast laser pulses require a full characterization of the electric field to glean meaning from the experimental data. Such characterization typically requires a separate parametric optical process. As the central wavelength range of new sources continues to increase so too does the need for nonlinear crystals suited for characterizing these wavelengths. Here we report on the use of poly-crystalline zinc selenide as a universal nonlinear crystal in the frequency resolved optical gating characterization technique from the near to long-wavelength infrared. Due to its property of random quasi-phase-matching it’s capable of phase matching second-harmonic and sum-frequency generation of ultra-broadband pulses in the near and long wavelength infrared, while being crystal orientation independent. With the majority of ultra-fast laser sources being in this span of wavelengths, this work demonstrates a greatly simplified approach towards ultra-fast pulse characterization spanning from the near to the long-wavelength infrared. To our knowledge there is no single optical technique capable of such flexible capabilities.

Davis, Brandin (ORCID:0000000166964548)↗
DOE OSTI2015

Milestones for Selection, Characterization, and Analysis of the Performance of a Repository for Spent Nuclear Fuel and High-Level Radioactive Waste at Yucca Mountain.

This report presents a concise history in tabular form of events leading up to site identification in 1978, site selection in 1987, subsequent characterization, and ongoing analysis through 2009 of the performance of a repository for spent nuclear fuel and high - level radioactive waste at Yucca Mountain in southern Nevada. The tabulated events generally occurred in five periods: (1) commitment to mined geologic disposal and identification of sites; (2) site selection and analysis, based on regional geologic characterization through literature and analogous data; (3) feasibility analysis demonstrating calculation procedures and importance of system components, based on rough measures of performance using surface exploration, waste process knowledge, and general laboratory experiments; (4) suitability analysis demonstrating viability of disposal system, based on environment - specific laboratory experiments, in - situ experiments, and underground disposal system characterization; and (5) compliance analysis, based on completed site - specific characterization . The current sixth period beyond 2010 represents a new effort to set waste management policy in the United States. Because the relationship is important to understanding the evolution of the Yucca Mountain Project , the tabulation also shows the interaction between the policy realm and technical realm using four broad categories of events : (a) Regulatory requirements and related federal policy in laws and court decisions, (c) Presidential and agency directives, (c) technical milestones of implementing institutions, and (d) critiques of the Yucca Mountain Project and pertinent national and world events related to nuclear energy and radioactive waste. Preface The historical progression of technical milestones for the Yucca Mountain Project was originally developed for 10 journal articles in a special issue of Reliability Engineering System Safety on the performance assessment for the Yucca Mountain license application [1-10]. The listing of mile stones, a distinct feature of those articles, has been collected and tabulated here. A lthough a brief description is presented here (based on the summaries in the 10 journal articles), the emphasis remains on the tabulation because of its usefulness in providing a comprehensive but concise history of the Yucca Mountain Project. The tabulation presented here is more elaborate than originally presented in that many of the interactions that occurred between the technical realm and policy realm can be depicted in separate columns. The usefulness of the milestones table is due in part to L.A. Connolly, for editorial and reference support, and S.K. Best, Raytheon, and L. Mays, Sandia National Laboratories (SNL), for illustration support. Reviewers P.N. Swift, SNL, and K. Gupta, University of Oklahoma, helped improve the discussion. The historical perspective presented is that of the author and is not necessarily held by reviewers, Sandia National Laboratories , and the US Department of Energy. As a historic perspective, the author is reporting on the work of others; however, any interpretative error s of the documentation are those of the author alone. The characterization and modeling of the Yucca Mountain disposal system required numerous participants with expertise in many areas of science and technology, as evident from the extensive reference list. Their diligent efforts are generally acknowledged here and through the many references to their impressive work, but the 10 journal articles acknowledge by name many of the numerous participants that contributed to the Yucca Mountain Project .

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Characterization of the SRNL-Washed tank 51 sludge batch 9 qualification sample

Savannah River National Laboratory (SRNL) personnel have been requested to qualify the next sludge batch (Sludge Batch 9 – SB9) for processing at the Defense Waste Processing Facility (DWPF). To accomplish this task, Savannah River Remediation (SRR) sent SRNL a 3-L sample of Tank 51H slurry to be characterized, washed, and then used in a lab-scale demonstration of the DWPF flowsheet (after combining with Tank 40H sludge). SRNL has washed the Tank 51H sample per the Tank Farm washing strategy as of October 20, 2015. A part of the qualification process is extensive radionuclide and chemical characterization of the SRNL-washed Tank 51H slurry. This report documents the chemical characterization of the washed slurry; radiological characterization is in progress and will be documented in a separate report. The analytical results of this characterization are comparable to the Tank Farm projections. Therefore, it is recommended that SRNL use this washed slurry for the ongoing SB9 qualification activities.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Characterization of Rare Earth Element Minerals in Coal Utilization Byproducts

The United States currently produces over 100 million tons of coal utilization byproducts (CUB) per year in the form of fly ash, bottom ash, slag, and flue gas (American Coal Ash Association (ACCA), 2015). But this “waste material” also contains potentially useful levels of rare earth elements (REE). Rare earth elements are crucial for many existing and emerging technologies, but the U.S. lacks a domestic, sustainable REE source. Our project explored the possibility of developing a supply of REEs for U.S. technologies by extracting REEs from CUBs. This work offers the potential to reduce our dependence on other countries for supply of these critical elements (NETL, REE 2016 Project Portfolio). Geologic and diagenetic history, industrial preparation methods, and the specific combustion process all play major roles in the composition of CUB. During combustion, inorganic mineral phases of coal particles are fluidized at temperatures higher than 1400oC, so inorganic mineral materials are oxidized, fused, disintegrated, or agglomerated into larger spherical and amorphous (non-crystalline) particles. The original mineralogy of the coal-containing rock and heating/cooling of the material significantly affects the composition and morphology of the particles in the combustion byproduct (Kutchko and Kim, 2006). Thus, different types of coal/refuse/ash must be characterized to better understand mineral evolution during the combustion process. Our research focused on developing a working model to address how REE minerals behave during the combustion process: this research should help determine the most effective engineering methods for extracting REEs from CUBs. We used multimodal imaging and image processing techniques to characterize six rock and ash samples from different coal power plants with respect to morphology, grain size, presence of mineral phases, and elemental composition. The results of these characterization activities provided thresholds for realizing the occurrence of REE mineral phases in CUB and allowed us to calculate structural and volumetric estimates of REE. Collectively, the rock and coal ash samples contained minerals such as quartz, kaolinite, muscovite/illite, iron oxide (as hematite or magnetite), mullite, and clinochlore. Trace minerals included pyrite, zircon, siderite, rutile, diopside, foresterite, gypsum, and barite. We identified REE phosphate minerals monazite (Ce,La,Nd,Th)(PO 4 ,SiO 4 ), xenotime (YPO 4 ,SiO 4 ), and apatite (Ca 5 (PO 4 ) 3 (F,Cl,OH) via SEM and electron microprobe analysis: these materials generally occurred as 1-10 μm-long crystals in the rock and ash samples. As has been shown in other studies, amorphous material-aluminosilicate glass or iron oxyhydroxide-are the major components of coal fly and bottom ash. Trace amounts of amorphous calcium oxide and mixed element (e.g., Al-Si-Ca-Fe) slag are also present. Quartz, mullite, hematite, and magnetite are the crystalline phases present. We found that REEs are present as monomineralic grains dispersed within the ash, as well as fused to or encapsulated by amorphous aluminosilicate glass particles. Monazite and xenotime have relatively high melting points (>1800 °C) compared to typical combustion temperatures; our observations indicate that the REE-phosphates, which presumably contribute a large percentage of REE to the bulk ash REE pool, as measured by mass spectroscopy, are largely unaltered by the combustion. Our study shows that conventional coal combustion processes sequester REE minerals into aluminosilicate glass phases, which presents a new engineering challenge for extracting REE from coal ash. The characterization work summarized in this report provides a semi-quantitative assessments of REE in coal-containing rock and CUB. The data we obtained from 2- and 3-D imaging, elemental mapping, volumetric estimates, and advanced high-resolution pixel classification successfully identified the different mineral phases present in CUB. Further, our characterization results can guide techniques for extracting REEs from CUB, or other geologic and engineered materials. Whilst, interpretations will inform future REE separation and extraction techniques and technologies practical for commercial utilization of combustion byproducts generated by power plants.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2019

Tank 9H Salt Solution Supernatant Characterization in Support of Potential Operating Strategies of Tank 9H Supernatant Through the Tank Closure Cesium Removal System

Savannah River Remediation (SRR) recently initiated an ion exchange process to remove radioactive cesium from dissolved salt solution in Tank 10H, known as Tank Closure Cesium Removal (TCCR). As part of that ongoing campaign, the salt in Tank 9H will be dissolved and transferred to Tank 10H for processing through the TCCR system, and SRR requested the characterization of the dissolved salt solution in Tank 9H prior to the transfer to Tank 10H. On July 18, 2019, Savannah River Remediation Engineering (SRR-E) delivered two variable depth Tank 9H salt solution samples, identified as samples HTF-9-19-74 and HTF-9-19-75 (combined total sample volume of about 400 mL) to the Savannah River National Laboratory (SRNL) for characterization. These two Tank 9H variable depth samples (HTF-9-19-74 and HTF-9-19-75 taken at ~180” and 42”, respectively) were retrieved from Riser 7 after hydro-lancing activities were complete. Approximately 4200 gallons of water were added to the tank during this activity. This report presents the analytical characterization results for the Tank 9H salt solution variable depth samples HTF-9-19-74 and HTF-9-19-75 and contains mainly the filtrate analytical results for anions, elements, mass spectral data, total cesium characterization results and select radionuclide results, along with the X-ray diffraction characterization of the solid fractions from the liquid /solid separation of the variable depth salt solutions. Most of these analyses were performed in duplicate with the percent relative standard deviation (%RSD), a measure of the variability between each duplicate data set expressed as a percentage, used to estimate the analytical result quality for each analyte.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Angle of Incidence Characterization of Six Laminated Solar Cells for 2020 DTU Fotonik Inter-Laboratory Comparison Study

Photovoltaic energy prediction models include functions or modifiers to account for sun angle reflection losses. These functions may be known interchangeably as Angle of Incidence (AOI) or Incident Angle Modifier (IAM). While standards exist, there is no universally accepted single best practice for developing these functions. They can be generated through characterization of representative modules or single cells, in natural sunlight or indoors using simulated light sources. Repeatability of measurements and the viability of cross-laboratory comparisons are critical to confidence in validation of both methods. To investigate the differences between methods and labs, The Technical University of Denmark (DTU) initiated an international round-robin test comparison between several key test labs with AOI measurement capability. A total of six minimodules were provided in three different cell/interconnect/backsheet combinations. Sandia characterized these minimodules using methods developed over two decades specifically for the outdoor characterization of full-size photovoltaic modules. This report documents the characterization results, summarizes key observations and tabulates the processed data for comparison to results provided by other characterization labs.

14 SOLAR ENERGY↗
DOE OSTI2021

In Situ High Energy X-ray Diffraction Characterization of Phase Transformations and Mechanical Behaviors in Rapidly Solidified Titanium and Stainless Steel Alloys [Thesis]

Advanced manufacturing techniques like additive manufacturing (AM) have poised themselves to revolutionize metal manufacturing. A wide range of AM techniques are capable of manufacturing metal components with unique, complex geometries and hastening the scientific-engineering-development cycle. Metal AM relies on a layer-by-layer rapid manufacturing process to build components from the substrate up. Rapid solidification is a large departure from traditional metal manufacturing due to its complex physics. Characterization of rapid solidification is difficult, stemming from the small volumes used in AM and the fast dynamics of the process. High energy X-ray diffraction (HEXRD) is a solution to the characterization problems of rapidly solidified alloys and AM. HEXRD can probe small volumes at fast rates and provides a wide range of thermomechanical and kinetic information. This thesis presents the application of HEXRD to rapidly solidified titanium and stainless steel alloys through a series of case studies. In the first two studies, HEXRD is applied to rapidly solidified titanium and stainless steel welds. The materials are characterized for their temperature history, phase changes, kinetics, and microstructural evolution. In the next case study, HEXRD is applied to characterize phase changes in elastocaloric NiTi shape memory alloys (SMAs) under thermomechanical load. HEXRD, in conjunction with other tools, is used to explain the superior performance of the additively manufactured SMAs. In the final two case studies, HEXRD is used to measure the mechanical response of AM parts with complex geometries; namely, the octet truss lattice. Diffraction reveals a wide range of materials information about the AM microstructure including unexpected phases, texture, and mechanical response to loading. The mechanical results from HEXRD and then compared with theoretical predictions about the performance of octet truss lattices. Summarily, HEXRD is a diverse tool that is poised to address the complex characterization problems of many aspects of the additive manufacturing process.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Structural Characterization of Potential Carbon Dioxide Reservoirs and Adjacent Strata within the Llandovery Silurian to Middle Devonian Strata of Ohio

The Midwest Regional Carbon Sequestration Partnership (MRCSP) has incorporated the work of geologic research teams (Geoteams) in its regional characterization, project planning and carbon dioxide (CO 2 ) injection implementation work since the partnership was established by the U.S. Department of Energy (DOE) in 2003. Over this 16-year period, the cohort of Geoteams has grown from five to ten states and has contributed to the characterization of geologic sequestration opportunities, refinement of reservoir and seal data, and supported injection efforts through both predictive and post-injection assessments. This report details the work led by the Ohio Department of Natural Resources, Division of Geological Survey to evaluate the structure of nine formations in the Appalachian Basin of Ohio to assess seal integrity and whether carbon dioxide (CO 2 ) migration pathways could pose a potential risk. As part of Phase II MRCSP work, the Pennsylvania Geological Survey led the characterization of the Llandovery Silurian (“middle Silurian”) to Middle Devonian regional geologic characterization CO 2 utilization and storage. This preliminary assessment included generalized, regional-scale mapping, as well as the development of relatively coarse structure and isochore maps of stratigraphic intervals of interest for the Appalachian Basin. Because this stratigraphic interval offers several enhanced oil recovery targets and secondary targets for CO 2 storage, the Ohio Geological Survey undertook efforts in Phase III to characterize the Ohio’s portion of the Appalachian Basin more precisely and to resolve inconsistencies within Ohio’s formation tops. This study refined the subsurface correlations of the Silurian-through-Devonian stratigraphic section in Ohio. Higher-resolution isochore mapping of the CO 2 storage reservoirs and seals provides greater detail of potential high-porosity zones and potential structural influence on the interval.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2019

Workshop on Research Needs for Offshore Wind Resource Characterization: Summary Report

The U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy’s Wind Energy Technologies Office convened “Research Needs for Offshore Wind Resource Characterization,” a workshop in Alexandria, Virginia, on March 5–6, 2019. Wind resource characterization includes meteorological information to estimate annual energy production, forecasts to ensure economical and reliable wind energy integration, and turbulence characterization for developing and applying design load criteria. The purpose of the workshop was to bring together representatives from the offshore wind industry and marine environmental research community to share views on meteorological and oceanographic information needed to successfully develop offshore wind projects in the United States. It was also intended to identify current industry knowledge gaps that can be effectively addressed by researchers with current and emerging observational and modeling tools. The workshop was in response to one of the key challenges articulated in the National Offshore Wind Strategy: reducing costs and technology risks through improved offshore wind power resource and site characterization. The strategy noted that “a better understanding of the unique meteorological, ocean, and seafloor conditions across U.S. offshore wind development sites will allow for optimized designs, reduced capital costs, greater safety, and less uncertainty in preconstruction energy estimates, resulting in reduced financing costs.” The workshop built on the National Offshore Wind Strategy, as well as previous workshops and reports that have informed this research area, providing the basis for future investment in offshore resource characterization research. The 1.5-day workshop involved 55 participants with comparable numbers of representatives from industry, academia, national laboratories, and federal agencies. The meeting included a small number of participants from Europe. The structure was to seed discussions with presentations by national and international leaders in their respective disciplines, followed by discussion among all participants. Discussion began with current industry needs and gaps for metocean information from the European perspective as well as considering unique aspects of the U.S. offshore environment. Those topics were followed by discussion of information needs specifically to address offshore wind system design requirements. These sessions provided the context for the third primary area of discussion, which was current capabilities and challenges for the research community in providing the needed information. This input will inform DOE, other state and federal agencies, research institutions, and industry stakeholders in making decisions about potential research and development (R&D) efforts supporting the development of offshore wind energy in the United States.

17 WIND ENERGY↗
DOE OSTI2024

A Scalable & Non-Destructive Characterization Strategy to Study Semiconductor/Dielectric Interfaces and Predict Wafer-Level Device Performance

The defect density present at the dielectric-semiconductor interface in an MOS structure directly influences the channel carrier characteristics in semiconductor devices, especially in wide bandgap material systems used in power devices. While these trap defects are typically quantified through electrical characterization of MOS-capacitor test structures, this treatment offers very little insight into the physical nature of interface defects. Such shortcomings demand a physical characterization strategy to guide fabrication optimization. X-ray photoelectron spectroscopy (XPS) is suggested as a viable technique to determine chemical data for dielectric interfaces formed using atomic layer deposition (ALD) on GaN substrates. Previously, 1-D XPS characterization has confirmed the presence of a Ga x O y interlayer between ALD dielectrics and the GaN substrate. In this work, XPS data is serially collected to form 2-D images of an ALD-Al 2 O 3 /GaN interface as a proof-of-concept experiment for in-situ XPS quality monitoring during ALD processing. The information provided by this work reveals some of the challenges for incorporating XPS characterization as an in-situ strategy during fabrication of GaN-based devices. Separately, electrical mapping of a 2-D array of ALD-Al 2 O 3 /GaN MOS-capacitor devices provide a means to quantify the spatial variations in interface quality across a single wafer. Physical characterization techniques, such as time-of-flight secondary ion mass spectroscopy, provide additional chemical information about the Al 2 O 3 /Ga x O y /GaN structure that complement the electrical mapping results. This analysis shows that a higher Ga x O y content correlates with higher interface state defects for trap energies deep in the band gap.

42 ENGINEERING↗
DOE OSTI2023

The advanced characterization, post-irradiation examination, and materials informatics for the development of ultra high-burnup annular U-10Zr metallic fuel

U-Zr metallic fuel is a promising fuel candidate for Gen Ⅳ fast spectrum reactors. Previous experimental irradiation campaigns showed that the sodium thermal bonded U-10Zr fuel design can achieve a burnup of 10% fissions per initial heavy metal atom (FIMA). Advanced metallic fuel designs are pushing the burnup limit to 20% or even 30% FIMA. To achieve the higher burnup and eliminate the pyrophoric sodium, a prototypical annular fuel has been designed, fabricated, clad with HT-9 in the Materials and Fuels Complex, and irradiated in the Advanced Test Reactors of Idaho National Laboratory (INL) to a peak burnup of 3.3% FIMA. During irradiation, the mechanical contact between fuel and cladding acts as a thermal bond. The irradiation lasted for 132 days in the reactor. Recently, the archived fresh and irradiated fuel samples were characterized using advanced characterization capabilities in the Irradiated Materials Characterization Laboratory (IMCL) of INL. This article summarizes the results of advanced characterization and computer vision-based materials informatics to reveal the irradiation effects on U-Zr metallic fuel. Future work will focus on further implementation of advanced characterization and statistical data mining to improve the fidelity of fuel performance modeling and support U-Zr metallic fuel qualification for fast spectrum reactors.

Yao, Tiankai↗
DOE OSTI2024

Li-Ion Battery Thermal Characterization for Thermal Management Design

Battery design efforts often prioritize enhancing the energy density of the active materials and their utilization. However, optimizing thermal management systems at both the cell and pack levels is also key to achieving mission-relevant battery design. Battery thermal management systems, responsible for managing the thermal profile of battery cells, are crucial for balancing the trade-offs between battery performance and lifetime. Designing such systems requires accounting for the multitude of heat sources within battery cells and packs. This paper provides a summary of heat generation characterizations observed in several commercial Li-ion battery cells using isothermal battery calorimetry. The primary focus is on assessing the impact of temperatures, C-rates, and formation cycles. Moreover, a module-level characterization demonstrated the significant additional heat generated by module interconnects. Characterizing heat signatures at each level helps inform manufacturing at the design, production, and characterization phases that might otherwise go unaccounted for at the full pack level. Further testing of a 5 kWh battery pack revealed that a considerable temperature non-uniformity may arise due to inefficient cooling arrangements. To mitigate this type of challenge, a combined thermal characterization and multi-domain modeling approach is proposed, offering a solution without the need for constructing a costly module prototype.

25 ENERGY STORAGE↗
DOE OSTI2022

Ch3MS-RF: a random forest model for chemical characterization and improved quantification of unidentified atmospheric organics detected by chromatography–mass spectrometry techniques

Abstract. The chemical composition of ambient organic aerosols plays a critical role in driving their climate and health-relevant properties and holds important clues to the sources and formation mechanisms of secondary aerosol material. In most ambient atmospheric environments, this composition remains incompletely characterized, with the number of identifiable species consistently outnumbered by those that have no mass spectral matches in the literature or the National Institute of Standards and Technology/National Institutes of Health/Environmental Protection Agency (NIST/NIH/EPA) mass spectral databases, making them nearly impossible to definitively identify. This creates significant challenges in utilizing the full analytical capabilities of techniques which separate and generate spectra for complex environmental samples. In this work, we develop the use of machine learning techniques to quantify and characterize novel, or unidentifiable, organic material. This work introduces Ch3MS-RF (Chemical Characterization by Chromatography–Mass Spectrometry Random Forest Modeling), an open-source, R-based software tool, for efficient machine-learning-enabled characterization of compounds separated in chromatography–mass spectrometry applications but not identifiable by comparison to mass spectral databases. A random forest model is trained and tested on a known 130 component representative external standard to predict the response factors of novel environmental organics based on position in volatility–polarity space and mass spectrum, enabling the reproducible, efficient, and optimized quantification of novel environmental species. Quantification accuracy on a reserved 20 % test set randomly split from the external standard compound list indicates that random forest modeling significantly outperforms the commonly used methods in both precision and accuracy, with a median response factor percent error of −2 %, for modeled response factors, compared to > 15 %, for typically used proxy assignment-based methods. Chemical properties modeling, evaluated on the same reserved 20 % test set and an extrapolation set of species identified in ambient organic aerosol samples collected in the Amazon rainforest, also demonstrate robust performance. Extrapolation set property prediction mean absolute errors for carbon number, oxygen to carbon ratio (O : C), average carbon oxidation state (OSc‾), and vapor pressure are 1.8, 0.15, 0.25, and 1.0 (log(atm)), respectively. Extrapolation set out-of-sample R2 for all properties modeled are above 0.75, with the exception of vapor pressure. While predictive performance for vapor pressure is less robust compared to the other chemical properties modeled, random-forest-based modeling was significantly more accurate than other commonly used methods of vapor pressure prediction, decreasing the mean vapor pressure prediction error to 0.24 (log(atm)) from 0.55 (log(atm)) (chromatography-based vapor pressure prediction) and 1.2 (log(atm)) (chemical formula-based vapor pressure prediction). The random forest model significantly advances an untargeted analysis of the full scope of chemical speciation yielded by two-dimensional gas chromatography (GCxGC-MS) techniques and can be applied to gas chromatography coupled with electron ionization mass spectrometry (GC-MS) as well. It enables the accurate estimation of key chemical properties commonly utilized in the atmospheric chemistry community, which may be used to more efficiently identify important tracers for further individual analysis and to characterize compound populations uniquely formed under specific ambient conditions.

54 ENVIRONMENTAL SCIENCES↗