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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Mid-Latitude Circulation and Extremes in a Changing Climate. Final Technical Report for DOE Award DE-SC0012599

Mid-latitude extreme weather events are responsible for a large part of climate-related damage. Yet large uncertainties remain in climate model projections of heat waves, droughts, and heavy rain/snow events on regional scales, limiting our ability to effectively use these projections for climate adaptation and mitigation. These uncertainties can be attributed to both the lack of spatial resolution in the models, and to the lack of a dynamical understanding of these extremes. The objectives of this proposal were to first to develop empirical and theoretical understanding of how fine-scale features of the atmospheric circulation that are responsible for extreme events (such as blocking, atmospheric rivers, Rossby wave breaking) are related to more easily quantifiable larger scale circulation patterns, and on the basis of this develop specific metrics that can be applied to a range of atmospheric and coupled atmosphere-ocean models to diagnose their prediction of extremes. These metrics were used to understand what model resolution is necessary to describe the probability of extreme events realistically, and will be applied to CMIP5 models and high resolution time-slice projections of future climate to better understand the potential for the shifts and intensification of extremes over North America in a changing climate. The approach was to relate the fine-scale features to the large scales in current climate simulations, seasonal re-forecasts, and climate change projections in a very wide range of models, including the atmospheric and coupled models of ECMWF over a range of horizontal resolutions (125 to 10 km), aqua-planet configuration of the Model for Prediction Across Scales and High Order Method Modeling Environments (resolutions ranging from 240 km – 7.5 km) with various physics suites, and selected CMIP5 model simulations. The large scale circulation will be quantified both on the basis of the well-tested preferred circulation regime approach, and very recently developed measures, the finite amplitude Wave Activity and its spectrum. The fine scale structures related to extremes were diagnosed following the latest approaches in the literature. The goal is to use the large scale measures as indicators of the probability of occurrence of the finer scale structures, and hence extreme events. These indicators will then be applied to the CMIP5 models and time-slice projections of a future climate. The expected outcomes of this research were: (i) a unified methodology and set of metrics that will enable modelers to assess the probability of extreme events in various current and future climate simulations, (ii) an estimate of the model resolution needed to capture extreme events in a realistic way, and (iii) a better understanding of the extreme events over North America in a changing climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Mid-Latitude Circulation and Extremes in a Changing Climate

Mid-latitude extreme weather events are responsible for a large part of climate-related damage. Yet large uncertainties remain in climate model projections of heat waves, droughts, and heavy rain/snow events on regional scales, limiting our ability to effectively use these projections for climate adaptation and mitigation. These uncertainties can be attributed to both the lack of spatial resolution in the models, and to the lack of a dynamical understanding of these extremes. The objectives of this proposal were to first to develop empirical and theoretical understanding of how fine-scale features of the atmospheric circulation that are responsible for extreme events (such as blocking, atmospheric rivers, Rossby wave breaking) are related to more easily quantifiable larger scale circulation patterns, and on the basis of this develop specific metrics that can be applied to a range of atmospheric and coupled atmosphere-ocean models to diagnose their prediction of extremes. These metrics were used to understand what model resolution is necessary to describe the probability of extreme events realistically, and will be applied to CMIP5 models and high resolution time-slice projections of future climate to better understand the potential for the shifts and intensification of extremes over North America in a changing climate. The approach was to relate the fine-scale features to the large scales in current climate simulations, seasonal re-forecasts, and climate change projections in a very wide range of models, including the atmospheric and coupled models of ECMWF over a range of horizontal resolutions (125 to 10 km), aqua-planet configuration of the Model for Prediction Across Scales and High Order Method Modeling Environments (resolutions ranging from 240 km – 7.5 km) with various physics suites, and selected CMIP5 model simulations. The large scale circulation will be quantified both on the basis of the well-tested preferred circulation regime approach, and very recently developed measures, the finite amplitude Wave Activity and its spectrum. The fine scale structures related to extremes were diagnosed following the latest approaches in the literature. The goal is to use the large scale measures as indicators of the probability of occurrence of the finer scale structures, and hence extreme events. These indicators will then be applied to the CMIP5 models and time-slice projections of a future climate. The expected outcomes of this research were: (i) a unified methodology and set of metrics that will enable modelers to assess the probability of extreme events in various current and future climate simulations, (ii) an estimate of the model resolution needed to capture extreme events in a realistic way, and (iii) a better understanding of the extreme events over North America in a changing climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Scale-up of high specific activity 186g Re production using graphite-encased thick 186 W targets and demonstration of an efficient target recycling process

Production of high specific activity 186g Re is of interest for development of theranostic radiopharmaceuticals. Previous studies have shown that high specific activity 186g Re can be obtained by cyclotron irradiation of enriched 186 W via the 186 W(d,2n) 186g Re reaction, but most irradiations were conducted at low beam currents and for short durations. In this paper, enriched 186 W metal targets were irradiated at high incident deuteron beam currents to demonstrate production rates and contaminants produced when using thick targets. Full-stopping thick targets, as determined using SRIM, were prepared by uniaxial pressing of powdered natural abundance W metal or 96.86% enriched 186 W metal encased between two layers of graphite flakes for target material stabilization. An assessment of structural integrity was made on each target preparation. To assess the performance of graphite-encased thick 186 W metal targets, along with the impact of encasing on the separation chemistry, targets were first irradiated using a 22 MeV deuteron beam for 10 min at 10, 20, and 27 μA, with an estimated nominal deuteron energy of 18.7 MeV on the 186 W target material (after energy degradation correction from top graphite layer). Gamma-ray spectrometry was performed post EOB on all targets to assess production yields and radionuclidic byproducts. The investigation also evaluated a method to recover and recycle enriched target material from a column isolation procedure. Material composition analyses of target materials, pass-through/wash solutions and recycling process isolates were conducted with SEM, FTIR, XRD, EDS and ICP-MS spectrometry. Finally, to demonstrate scaled-up production, a graphite-encased 186 W target made from recycled 186 W was irradiated for ~2 h with 18.7 MeV deuterons at a beam current of 27 μA to provide 0.90 GBq (24.3 mCi) of 186g Re, decay-corrected to the end of bombardment. ICP-MS analysis of the isolated 186g Re solution provided data that indicated the specific activity of 186g Re in this scaled-up production run was 2.6±0.5 GBq/μg (70±10 Ci/mg).

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2014

Crystal structure of human CRMP-4: correction of intensities for lattice-translocation disorder

Crystals of human CRMP-4 showed severe lattice-translocation disorder. Intensities were demodulated using the so-called lattice-alignment method and a new more general method with simplified parameterization, and the structure is presented. Collapsin response mediator proteins (CRMPs) are cytosolic phosphoproteins that are mainly involved in neuronal cell development. In humans, the CRMP family comprises five members. Here, crystal structures of human CRMP-4 in a truncated and a full-length version are presented. The latter was determined from two types of crystals, which were either twinned or partially disordered. The crystal disorder was coupled with translational NCS in ordered domains and manifested itself with a rather sophisticated modulation of intensities. The data were demodulated using either the two-lattice treatment of lattice-translocation effects or a novel method in which demodulation was achieved by independent scaling of several groups of intensities. This iterative protocol does not rely on any particular parameterization of the modulation coefficients, but uses the current refined structure as a reference. The best results in terms of R factors and map correlation coefficients were obtained using this new method. The determined structures of CRMP-4 are similar to those of other CRMPs. Structural comparison allowed the confirmation of known residues, as well as the identification of new residues, that are important for the homo- and hetero-oligomerization of these proteins, which are critical to nerve-cell development. The structures provide further insight into the effects of medically relevant mutations of the DPYSL-3 gene encoding CRMP-4 and the putative enzymatic activities of CRMPs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Renewable Thermal Energy Systems: Systemic Challenges and Transformational Policies (Report 2)

Two important challenges for RTES are the need for significant further innovation and deployment, particularly in the United States. In the face of continued success of other renewable energy technologies, such as solar photovoltaics (PV) and land-based wind energy for electricity, it is worthwhile to evaluate the current state of select RTES technologies in the context of technology innovation systems and energy transitions. This report marks a departure from the existing body of research we are aware of and have contributed to relating to RTES applications for industrial process heat in the United States. Our objectives for this report are fourfold: 1) Begin considering the challenges of RTES deployment in the United States through application of socio-technical and transitions frameworks; 2) Begin applying the theory of RTES as configurational technology innovation systems in the United States and for industrial process heat specifically; 3) Review RTES innovation, policies, and market formation activities in the contexts of Objectives 1 and 2; 4) Identify future paths for RTES research. Ultimately, the challenges associated with scaling the deployment of RTES in the United States are related to the need to develop a well-functioning innovation system that can overcome resistance from a highly stable socio-technical regime within a shrinking window of time to address the climate crisis, U.S. industrial competitiveness, and volatile energy commodity price shocks. Current efforts toward scaling for RTES applications in industry and buildings emphasize the need for further cost reductions, but not for interventions that support actors and their interactions and that increase the legitimacy of the technologies. As a result, there are significant opportunities to analyze the social contexts of RTES that can then be used to inform the design of effective, transformational policy portfolios.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Sensitivity Study of Multiscale and Phenomenological Elasto-Viscoplastic Grade 91 Material Models for Component-Scale Response

Many advanced nuclear reactor concepts currently being developed are targeting higher operating temperatures relative to the current fleet of light water nuclear reactors, for efficiency gains and other operational considerations. The design of high temperature structural components with reliable long-term operational performance will depend on material models that accurately capture the inelastic deformation mechanisms active in these environments. In this work, we perform a detailed parameter sensitivity analysis of two unified elasto-viscoplastic Grade 91 material models capable of capturing long term high temperature creep deformation. The first model is a phenomelogical material model from the Nuclear Engineering Material Library (NEML) developed at Argonne National Lab. The NEML model parameters and their uncertainty were fit to a range of Grade 91 experimental data using Bayesian Markov Chain Monte Carlo analysis. The second model is a LAROMance data-driven surrogate material model developed at Los Alamos National Lab. The LAROMance model is fit to a large database of responses produced by a mechanistic crystal plasticity based polycrystal model. Parameters for the LAROMance surrogate material model reflect the pedigree of the Grade 91 microstructure. Both material models have been integrated into the Grizzly code, based on the open-source MOOSE multiphysics simulation framework, to simulate both the progression of aging mechanisms and the effects of that aging on nuclear power plant structures. Grizzly is used analyze a three-dimensional Grade 91 piping system to compare the long-term inelastic response predicted by these two fundamentally different models and assess the sensitivity of the material model input parameters on this quantity of interest.

42 ENGINEERING↗
DOE OSTI2012

Fuel Cell Tech Team Meeting: Engineered Nano-scale Ceramic Supports for PEM Fuel Cells [Slides]

Catalyst support durability is currently a technical barrier for commercialization of polymer electrolyte membrane (PEM) fuel cells, especially for transportation applications. Degradation and corrosion of the conventional carbon supports leads to losses in active catalyst surface area and, consequently, reduced performance. As a result, the goal of this work is to develop support materials that interact strongly with Pt, yet sustain bulk-like catalytic activities with very highly dispersed particles. Ceramic materials that are prepared using conventional solid-state methods have large grain sizes and low surface areas that can only be minimally ameliorated through grinding and ball milling. Other synthesis routes to produce ceramic materials must be investigated and utilized in order to obtain desired surface areas. In this work, several different synthesis methods are being utilized to prepare electronically conductive ceramic boride, nitride, and oxide materials with high surface areas and have the potential for use as PEMFC catalyst supports. Polymer-assisted deposition (PAD) and aerosol-through plasma (A-T-P) torch are among several methods used to obtain ceramic materials with surface areas that are equal to, or exceed Vulcan XC-72R supports. Cubic Mo-based ceramic phases have been prepared with average XRD-determined crystallite sizes as low as 1.6 nm (from full profile, XRD fitting) and a BET surface area exceeding 200 m 2 /g. Additionally, black, sub-stoichiometric TiO 2-x , have been prepared with an average crystallite size in the 4 nm range and surface areas exceeding 250 m 2 /gr. Pt disposition using an incipient wetness approach produced materials with activity for hydrogen redox reactions and ORR. Cyclic voltammetry data will be shown for a variety of potential Pt/ceramic catalysts. Initial experiments indicate enhanced Pt metal-support interactions as well. Plane wave periodic density functional calculations (VASP) are being used to predict the thermodynamic and activation barriers for fundamental electrode processes occurring at platinum surfaces supported on thin films of the ceramic support materials. The results of this work will be used in order to optimize support properties.

08 HYDROGEN↗
DOE OSTI2016

Pursuing Cost Effective Tank Waste Characterization at the Savannah River Site - 16172

The U. S. Department of Energy Office of Environmental Management has tasked the Savannah River National Laboratory (SRNL) with developing strategies and technologies to understand, optimize, scale, and speed up tank waste characterization. This scope is part of a multi-year project with the end goal of implementing programmatic changes that accelerate tank waste processing and tank closure schedules, and at the same time reduce characterization costs, while maintaining data integrity. The project is currently in its second year. During the first year of the project, SRNL completed a series of activities focused on understanding the range of current characterization practices, needs, gaps, risks, and potential alternative approaches. Based on the results, conclusions were drawn regarding aspects of the programs that are most costly and time consuming; particular waste constituents that drive costs, schedule, and program risks; alternative characterization approaches (other than sampling and analysis) that are less expensive and more rapid; new laboratory methods holding the greatest promise for reducing characterization costs and schedule; and in whole, the primary areas where current characterization practices can be improved. SRNL's current scope is focusing on three primary activities: 1) development of a technical basis/strategy for improving the cost effectiveness and schedule of SRNL's tank closure characterization program; 2) design/assembly of hardware, plumbing, and software for automating select radiochemical separation and waste removal processes; and 3) development and testing of alternative radiochemical separation protocols most likely to improve high resource demand/time consuming analysis methods (such as Ra-226, Pa-231, Tc-99/I-129, and/or Y/trivalent actinide separations). (authors)

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

Mass production of high-performance single atomic FeNC electrocatalysts via sequenced ultrasonic atomization and pyrolysis process

Mass production of highly efficient, durable, and inexpensive single atomic catalysts is currently the major challenge associated with the oxygen reduction reaction (ORR) for fuel cells. In this study, we develop a general strategy that uses a simple ultrasonic atomization coupling with pyrolysis and calcination process to synthesize single atomic FeNC catalysts (FeNC SACs) at large scale. The microstructure characterizations confirm that the active centers root in the single atomic Fe sites chelating to the four-fold pyridinic N atoms. The identified specific Fe active sites with the variable valence states facilitate the transfer of electrons, endowing the FeNC SACs with excellent electrochemical ORR activity. The FeNC SACs were used as cathode catalysts in a homemade Zn-air battery, giving an open-circuit voltage (OCV) of 1.43 V, which is substantially higher than that of commercial Pt/C catalysts. This study provides a simple approach to the synthesis of single atomic catalysts at large scale.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Global gridded anthropogenic emissions inventory of carbonyl sulfide

Atmospheric carbonyl sulfide (COS or OCS) is the most abundant sulfur containing gas in the troposphere and is an atmospheric tracer for the carbon cycle. Gridded inventories of global anthropogenic COS are used for interpreting global COS measurements. However, previous gridded anthropogenic data are a climatological estimate based on input data that is over three decades old and are not representative of current conditions. Here we develop a new gridded data set of global anthropogenic COS sources that includes more source sectors than previously available and uses the most current emissions factors and industry activity data as input. Additionally, the inventory is provided as annually varying estimates from years 1980–2012 and employs a source specific spatial scaling procedure. We estimate a global source in year 2012 of 406 Gg S y -1 (range of 223–586 Gg S y -1 ), which is highly concentrated in China and is twice as large as the previous gridded inventory. Our large upward revision in the bottom-up estimate of the source is consistent with a recent top-down estimate based on air-monitoring and Antarctic firn data. Furthermore, our inventory time trends, including a decline in the 1990's and growth after the year 2000, are qualitatively consistent with trends in atmospheric data. Lastly, similarities between the spatial distribution in this inventory and remote sensing data suggest that the anthropogenic source could potentially play a role in explaining a missing source in the global COS budget.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Grid Impacts of Hyperloop Technology in the United States

This report provides an overview of Hyperloop technologies including the current technology developments and a brief discussion on key components of the Hyperloop system that determine the electric power requirements as a function of time. At-scale Hyperloop systems do not exist yet so a model was used to generate a set of load profiles for conceptual systems at four locations in the United States: two in California, one in Colorado, and one in Ohio. In all four cases, the modeled Hyperloop load profiles showed a pulsating characteristic in both active and reactive power. Grid modeling was performed by Pacific Northwest National Laboratory to estimate the grid impacts and to discuss grid integration challenges. This report discusses the outcomes of the grid simulations for four study cases and offers some perspective of how existing large industrial loads with similar load characteristics are treated to accommodate current grid planning guidelines. The report concludes with a discussion on how energy storage system might be used to eliminate the pulsating load characteristics or significantly reduce it.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Resilient Hydrogels from the Nanoscale to the Macroscale

Biological systems illustrate how a material composed of fragile molecular components can collectively be highly resilient. While the average protein, cell, or even tissue may not last more than a few weeks, many animals and plants live for more than a century. Continual component regeneration and multiple systems to resist mechanical and chemical damage together make this longetivity possible. This project sought to develop biomimetic methods to enable a specific type of material, a hydrogel, to resist damage across multiple scales using distinct, modular damage protection mechanisms. Because hydrogels share many features with biological tissues, they are an ideal substrate for exploring biomimetic strategies for designing resilience and self-repair. We specifically focused in this study on DNA-crosslinked hydrogels, which contain DNA strands that can serve as material to link it together or to control its current state or properties. We investigated how new tools from dynamic DNA nanotechnology could make it possible to actively recover from damage by continually growing and forming a materials shape, or by identifying damage and directing an adaptive response to that damage involving chemical synthesis to reconstruct a structure. We developed embedded molecular sensors able to detect and strain of the gel before damage occurred and react to counteract damage. We also developed methods to continually create shapes and patterns using chemical processes that will allow those patterns to reform when they are damaged. The ability to design resilient materials capable of self-repair has important implications for materials engineering. Instead of designing a material to withstand the worst stresses it may encounter, we could instead design a material to survive under average conditions, but self-repair or reconfigure to resist impending damage. Resilient, self-repairing hydrogels will also have diverse applications such as sensors or actuators.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Core Design of the Holos-Quad Microreactor

The Holos-Quad micro-reactor concept, developed by HolosGen LLC, is equipped with a 22 MWt (Mega-Watt thermal) core and an integral power conversion system converting the core thermal energy into approximately 10 MWe (Mega-Watt electric). This design can be configured to support a wide range of applications. It is a very innovative high-temperature gas-cooled reactor concept using TRI-structural ISOtropic particle fuel (TRISO) distributed in graphite hexagonal blocks, cooled with helium in a direct Brayton cycle independently executed by four Subcritical Power Modules (SPMs) fitted into a hardened 40-foot container whose dimensions are in compliance with ISO shipping containers requirements. In FY2019 HolosGen LLC was awarded by the Department of Energy Advanced Research Project Agency-Energy (DOE ARPA-E) under the MEITNER funding program. As part of the MEITNER award, the Argonne National Laboratory (ANL) contributed expertise through two specialized teams: The “Design Team” and the “Resource Team”. The Design Team was dedicated to validate feasibility of the Holos-Quad core and to optimize its core design through neutronics analyses. The Resource Team was dedicated to feasibility verification via high-fidelity codes of Holos-Quad thermal-hydraulic, heat transfer, shielding, and structural aspects. This report summarizes the activities conducted by ANL Design Team. A rigorous design approach based on multi-criteria optimization and code-to-code comparison involving stochastic and high-fidelity deterministic solutions was developed and employed at several evolutionary stages of the Holos-Quad design. Several generations of the Holos-Quad core were designed within this project before converging to the current full-scale Gen 2+ design that is detailed in this report. Figure EA-1 illustrates a cross-sectional view of Gen 2+ Holos-Quad core configuration, and Figure EA-2 provides a simplified perspective view of 1-of-4 SPMs. The Holos-Quad uses four thermal-hydraulically independent SPMs locked into stationary positions during power operation, surrounded by BeO reflector and structural component fully comprised within the dimensional constraints represented by traditional ISO containers. One of the benefits of this approach is to enable transportation of each SPM promptly after irradiation in shielded containers. The core is designed to operate for approximately 8 full-power years while the reactivity controls and power conversion system enable load-following operations. The reactivity controls are represented by independent, diversified, and redundant reactivity control systems based on control drums and redundant sets of shutdown rods. The high-fidelity simulation tools were used to assess detailed power and flux distributions of the three-dimensional full-core or quarter-core of the Gen 2+ configuration. Single-physics and multi-physics simulations of the neutronics code PROTEUS and the thermal-hydraulic code System Analysis Module (SAM) were performed to analyze the Holos design configurations with detailed high-fidelity solutions. The design work performed confirmed feasibility of the Holos-Quad concept, provided realistic design description for detailed design of the operational system, and identified several core design improvements to be further considered for future reactor development activities.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2012

Design, Development, Pre-Testing and Preparation for Full Scale Cold Testing of a System for Field Remediation of Vertical Pipe Units at the Hanford Site 618-10 Burial Grounds -12495

At the Hanford site, in the 1950's and 60's, radioactive waste materials, including Transuranic (TRU) wastes from a number of laboratories were stored in vertical pipe units (VPUs) in what are now the 618-10 and 618-11 burial grounds. Although the current physical condition of the VPUs is unknown, initial R and D studies had shown that in-ground size reduction and stabilization of VPU contents was feasible. This paper describes the R and D work and testing activities to validate the concept of in-ground size reduction and stabilization of VPU contents, and the design and pre-testing of major plant items and augering systems on full size simulated VPUs. The paper also describes the full size prototype equipment which will be used in full size cold testing of simulated VPUs off the Hanford site, to prove the equipment, develop operating procedures, and train operators prior to deployment on site. Safe and effective field remediation, removal and disposal of the VPUs in the 600 area are critical to the success of the River Corridor Closure Contract at the U.S. Department of Energy's Hanford Site. Safe and effective field remediation, removal and disposal of the VPUs in the 600 area are critical to the success of the River Corridor Closure Contract at the U.S. Department of Energy's Hanford Site. (authors)

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

A survey of irradiated pillars, globules, and jets in the Carina nebula

We present wide-field, deep narrowband H{sub 2}, Brγ, Hα, [S ii], [O iii], and broadband I- and K-band images of the Carina star formation region. The new images provide a large-scale overview of all the H{sub 2} and Brγ emission present in over a square degree centered on this signature star-forming complex. By comparing these images with archival Hubble Space Telescope and Spitzer images we observe how intense UV radiation from O and B stars affects star formation in molecular clouds. We use the images to locate new candidate outflows and identify the principal shock waves and irradiated interfaces within dozens of distinct areas of star-forming activity. Shocked molecular gas in jets traces the parts of the flow that are most shielded from the intense UV radiation. Combining the H{sub 2} and optical images gives a more complete view of the jets, which are sometimes only visible in H{sub 2}. The Carina region hosts several compact young clusters, and the gas within these clusters is affected by radiation from both the cluster stars and the massive stars nearby. The Carina Nebula is ideal for studying the physics of young H ii regions and photodissociation region (PDR), as it contains multiple examples of walls and irradiated pillars at various stages of development. Some of the pillars have detached from their host molecular clouds to form proplyds. Fluorescent H{sub 2} outlines the interfaces between the ionized and molecular gas, and after removing continuum, we detect spatial offsets between the Brγ and H{sub 2} emission along the irradiated interfaces. These spatial offsets can be used to test current models of PDRs once synthetic maps of these lines become available.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

A NEA review on innovative structural materials solutions, including advanced manufacturing processes for nuclear applications based on technology readiness assessment

The Nuclear Energy Agency (NEA) Expert Group on Innovative Structural Materials (EGISM) was established in 2008 under the guidance of the Nuclear Science Committee (NSC). Its objectives are to conduct joint and comparative studies to support the development, selection and characterisation of innovative structural materials that can be implemented in advanced nuclear fuel cycles, under long service lifetime and extreme conditions, such as high temperature, high dose/dose rate and corrosive chemical environments. In this context of growing interest and initiatives, the EGISM initiated at the beginning of 2018 an activity among its members to: Identify, in a non-exhaustive way, the currently existing programs on innovative materials and fabrication processes in NEA member countries and China; Establish a first cartography of the activities that are underway on these topics and identify common subjects and thematic; Propose a Technology Readiness Level scale to estimate the maturity of both innovative materials and fabrication processes; Carry out a reflection on what the enablers are to quickly climb this TRL scale, as well as the obstacles, in order to identify solutions to overcome them. This paper first gives definitions shared between the EGISM members on what are considered as advanced structural materials solutions. Next, some international initiatives for the accelerated development of high performance materials are presented both in non-nuclear and nuclear fields. Then, the methodology adopted for technology readiness assessment is explained. A non-exhaustive synthesis of the projects identified among the EGISM members on innovative structural materials and advanced manufacturing solutions such as additive manufacturing is presented. The TRL level of these projects is evaluated. A focus is also made on some of these projects to illustrate and explain the TRLs chosen as well as highlighting enablers or obstacles identified to climbing up the TRL scale.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Modeling the hydrodynamic and electrochemical efficiency of semi-solid flow batteries

A mathematical model of flow cell operation incorporating hydrodynamic and electrochemical effects in three dimensions is developed. The model and resulting simulations apply to recently demonstrated high energy-density semi-solid flow cells. In particular, state of charge gradients that develop during low flow rate operation and their effects on the spatial non-uniformity of current density within flow cells are quantified. A one-dimensional scaling model is also developed and compared to the full three-dimensional simulation. The models are used to demonstrate the impact of the choice of electrochemical couple on flow cell performance. For semi-solid flow electrodes, which can use solid active materials with a wide variety of voltage-capacity responses, we find that cell efficiency is maximized for electrochemical couples that have a relatively flat voltage vs. capacity curve, operated under slow flow conditions. For example, in flow electrodes limited by macroscopic charge transport, an LiFePO4-based system requires one-third the polarization to reach the same cycling rate as an LiCoO2-based system, all else being equal. Our conclusions are generally applicable to high energy density flow battery systems, in which flow rates can be comparatively low for a given required power. (C) 2012 Elsevier Ltd. All rights reserved.

Brunini, VE↗
DOE OSTI2018

Isolating Clusters of Light Elements in Molecular Sieves with Atom Probe Tomography

Understanding the 3-D distribution and nature of active sites in heterogeneous catalysts is critical to developing structure–function relationships. However, this is difficult to achieve in microporous materials as there is little relative z-contrast between active and inactive framework elements (e.g., Al, O, P, and Si), making them difficult to differentiate with electron microscopies. We have applied atom probe tomography (APT), currently the only nanometer-scale 3-D microscopy to offer routine light element contrast, to the methanol-to-hydrocarbons (MTH) catalyst SAPO-34, with Si as the active site, which may be present in the framework as either isolated Si species or clusters (islands) of Si atoms. 29Si solid-state NMR data on isotopically enriched and natural abundance materials are consistent with the presence of Si islands, and the APT results have been complemented with simulations to show the smallest detectable cluster size as a function of instrument spatial resolution and detector efficiency. We have identified significant Si–Si affinity in the materials, as well as clustering of coke deposited by the MTH reaction (13CH3OH used) and an affinity between Brønsted acid sites and coke. A comparison with simulations shows that the ultimate spatial resolution that can be attained by APT applied to molecular sieves is 0.5–1 nm. Finally, the observed 13C clusters are consistent with hydrocarbon pool mechanism intermediates that are preferentially located in regions of increased Brønsted acidity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗