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At least 1,783 records · Page 99

Effective parameterization of phase-field models of fission gas bubble growth

Fission gas bubbles are one of the most important microstructural features of ceramic nuclear fuels. As gas bubbles grow and interconnect, they allow release of gases, with important consequences for fuel performance. Phase-field modeling has been increasingly used to simulate the evolution of fission gas bubble microstructural because of its capability to capture complex microstructural features. However, computational performance limitations have made it difficult to simulate all the defects present in fuels during operation. For this reason, phase-field models have often simulated only vacancies and used multiple approaches to include the effect of vacancy-interstitial recombination and sinks in a simplified way. Here, we compare some of the most prevalent approaches, including source-only and source/sink. The kinetics of bubble growth using these approaches are analyzed analytically, and simulations with these approaches are compared to a full vacancy-interstitial model.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Observationally constrained analysis on the distribution of fine- and coarse-mode nitrate in global models

Nitrate plays an important role in the Earth system and air quality. A key challenge in simulating the life cycle of nitrate aerosol in global models is to accurately represent mass size distribution of nitrate aerosol. In this study, we evaluate the performance of the Energy Exascale Earth System Model version 2 (E3SMv2) and the Community Earth System Model version 2 (CESM2), along with Aerosol Comparisons between Observations and Models (AeroCom) phase III models, in simulating spatial distribution of fine-mode nitrate, the mass size distribution of fine- and coarse-mode nitrate, and the gas–aerosol partitioning between nitric acid gas and nitrate, using long-term ground-based observations and measurements from multiple aircraft campaigns. We find that most models underestimate the annual mean PM 2.5 (particulate matter with diameter less than 2.5 µm) nitrate surface concentration averaged over all sites. The observed nitrate PM 2.5 / PM 10 and PM 1 / PM 4 ratios are influenced by the relative contribution of fine sulfate or organic particles and coarse dust or sea salt particles. Overall, the ground-based observations give an annual mean surface nitrate PM 2.5 / PM 10 ratio of 0.7. Most models underestimate the annual mean PM 2.5 / PM 10 ratio in all regions. There are large spreads in the modeled nitrate PM 1 / PM 4 ratios, which span the full range from 0 to 1. Most models underestimate the surface molar ratio of nitrate to total inorganic nitrate averaged across all sites. Our study indicates the importance of gas–aerosol partition parameterization and the simulation of dust and sea salt in correctly simulating the mass size distribution of nitrate.

Nitrate↗

NGEE Arctic Integrated Modeling (IM2): Improved subgrid hillslope hydrologic connectivity

This data product represents the integration of new code capability for arctic tundra hillslope hydrologic processes into the Energy Exascale Earth System Model (E3SM), through the E3SM Land Model (ELM) component. This code integration is the result of collaborative effort between the NGEE Arctic project and the E3SM project. The current ELM represents water movement primarily through vertical processes, such as precipitation, canopy interception, evaporation, infiltration, and soil water movement. Lateral water movement—such as surface runoff, subsurface flow, and river transport—plays a significant role in the hydrological cycle, especially in regions with varied topography. While E3SM includes a runoff routing component representing water transport in the river network, the lateral transport of water at the subgrid scale within the land model has previously not been taken into account. With the recent development of topographic units within the ELM subgrid data structure, there is an opportunity to simulate hillslope hydrologic connectivity by introducing water transport along topographic gradients. We expect that more realistic representation of hillslope hydrologic processes will lead to improved predictions of both soil water content and river network flows. Lateral transport of water at and near the surface is represented as a sub-grid process in this new code development. Water is tracked as it moves from higher to lower elevations within a gridcell. This capability uses the nested hierarchical sub-grid scheme within ELM to connect water fluxes from sub-grid elements with higher elevation to those with lower elevation. This data record consists of a single document (pdf format) that describes the theoretical basis for the hillslope hydrology processes added to ELM, and describes the modifications made to the ELM code. The Methods section of this metadata record includes a link to the public E3SM code repository where the exact code modifications as integrated in E3SM can be accessed. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

Thornton, Peter E [ORNL] (ORCID:0000000247595158)↗

Fostering Better Collaboration in Software Development Cycles Between Scientists and Programmers to Ensure the Integrity of and Promote the Development of New Scientific Data Products.

Misaligned incentives lead to reduced interaction between scientists and programmers on modern NASA science data-product development teams. Typically, situations arise where the scientist is not incentivized to learn modern coding practices and the programmer does not understand the science algorithms in the code. A programmer is responsible for the deliverable code thus setting a tradeoff between the desire for code improvement versus fear of compromising the integrity of data-product while the scientist continues to rely on their legacy codebases owing to the complexity of using the delivered code outside the processing environment and lack of validation modules. The NASA/CERES-TISA project has adopted a collaborative approach, with scientists and programmers both utilizing the same software repository with multiple branches, some optimized for delivery to a processing datacenter and others for scientific product development and validation. A team of scientists and programmers jointly review any new science code updates for integration into the codebase and strive to improve practices through promoting algorithm understanding, better institutional knowledge exchange and documentation, modularization, and developing data processing flow-dictated validation and debugging methods. This leads to a reduction in the personnel single point failures and reduced development time for creation of new science data-products.

CERES↗

Cladding Profilometry Analysis of Experimental Breeder Reactor-II Metallic Fuel Pins with HT9, D9, and SS316 Cladding

BISON finite element method fuel performance simulations were conducted using an existing automated process that couples the Fuels Irradiation & Physics Database (FIPD) and the Integral Fast Reactor Materials Information System database by writing input files and comparing the BISON output to post-irradiation fuel pin profilometry measurements contained within the databases. The importance of this work is to demonstrate the ability to benchmark fuel performance metallic fuel models within BISON using Experimental Breeder Reactor-II fuel pin data for a number of similar pins, while building off previous modeling efforts. Changes to the generic BISON input file include implementing pin specific axial power and flux profiles, pin specific fluences, frictional contact, and irradiation-induced volumetric swelling models for cladding. A statistical analysis of irradiation-induced volumetric swelling models for HT9, D9, and SS316 was performed for experiments X421/X421A, X441/X441A, and X486. Between these three experiments, there were 174 post-irradiation examination (PIE) profilometries used for validating the swelling models presented using a standard error of the estimate (SEE) method. Implementation of the volumetric swelling models for D9 and SS316 claddings was found to have a significant impact on the BISON profilometry simulated, where HT9 clad pins had an insignificant change due to low fluence values. BISON profilometry simulated for HT9, D9, and SS316 fuel pins agreed with PIE profilometry measurements, with assembly SEE values being 4.4 × 10−3 for X421A, 2.0 × 10−3 for X441A, and 2.8 × 10−3 for X486. D9 clad pins in X421/X421A had the highest SEE values, which is due to the BISON simulated profilometry being shifted axially. While this work accomplished its purpose to demonstrate the modeling of multiple fuel pins from the databases to help validate models, the results suggest that the continued development of metallic fuel models is necessary for qualifying new metallic fuel systems to better capture some physical performance phenomena, such as the hot pressing of U-Pu-Zr and the fuel cladding chemical interaction.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

HotCell Components

To support operations in the HFEF Hot Cell and the FCF Hot Cell, multiple components were designed to support the Bottle Cutter Project and the Sodium Loop Project. These components were designed and analyzed to ensure they can function in their environment and be operated remotely. FEA analysis were performed, prototypes were made, and parts were manufactured to complete this project. This poster documents these parts and test results.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Development of a molecularly informed biogeochemical framework for reactive transport modeling of subsurface carbon inventories, transformations and fluxes (Final Report)

The overall objective of the project was to combine new molecular-level characterization strategies with soil carbon flux measurements to develop and evaluate model representations of subsurface carbon cycling. We expanded on existing studies in the East River watershed, Colorado, in collaboration with the Berkeley Lab Watershed Function Scientific Focus Area (SFA), SLAC Groundwater Quality SFA, and Rocky Mountain Biological Laboratory (RMBL) to develop an elevation and vegetation gradient that is now the subject of long-term monitoring by the USGS. To achieve the overall objective, we combined field studies of soil respiration with laboratory analyses, ranging from spectroscopy to incubation studies. This combination of techniques enabled us to develop a new understanding of the drivers of high-elevation soil respiration. In the process, we developed three new modeling approaches that improve our ability to conceptualize and ultimately to represent soil respiration in numerical models. The first approach is a plot-scale transient inverse model that can be used to determine in situ CO 2 production rates from measured concentration profiles and surface fluxes. Application of this method revealed the importance of plant phenology and deep CO 2 production in moderating CO 2 fluxes to the atmosphere. The second modeling approach is a molecular-scale tool that enables spectroscopic and elemental data for carbon speciation to be transformed into functional group abundances, or the ‘SOC-fga model’. This method uniquely enables carbon speciation to be tracked within a reactive transport framework to partition carbon among different pathways and storage zones within the soil. The third modeling tool builds strongly on the previous approaches and captures the microbial processes driving heterotrophic respiration. This ‘dormancy model’ allows the native soil microbial population to respond transiently to the presence or absence of water in order to catalyze carbon respiration. This approach was also compared to the simpler and more widely used first-order model using two experimental datasets with different temporal and spatial resolutions. Our results illustrate that the simpler first order model provides a robust and efficient representation of deep (>1 meter) soil respiration, but that shallow soils, where most respiration occurs, require explicit representation of moisture-dependent activation and dormancy rates. By assessing soil organic carbon turnover at multiple scales, we see a complex array of controls emerge. Atte scale of a hillslope, spatial heterogeneity in soil respiration rates dominates and is uncorrelated with instantaneous soil moisture and plant community. At the profile scale, the balance between plant inputs and water availability is the dominant control. At the microbial to molecular scale, physiological processes associated with carbon use and carbon speciation are important controls. These scale-dependent controls emphasize the need for new modeling approaches that examine their interactions and hierarchies.

54 ENVIRONMENTAL SCIENCES↗

Assimilation of global cloud imagery from multiple satellites

Synoptic images of the global cloud field are created from measurements of IR radiation taken aboard four geostationary and two polar-orbiting platforms simultaneously observing the earth's cloud field. A series of spatial and temporal interpolations, together with data reliability criteria, are used to map synoptic measurements from the geostationary satellites and asynoptic measurements from the polar-orbiting satellites. The synoptic global cloud imagery (GCI) that results has a horizontal resolution of 0.7 deg in longitude by 0.35 deg in latitude and a temporal resolution of 3 h, providing an unprecedented view of the global cloud pattern. Each composite image represents a nearly instantaneous snapshot of the entire earth's cloud field. Collectively, the composite imagery resolve, on a global basis, most of the variability inherent to organized convection, including several harmonics of the diurnal cycle. Because of its homogeneous properties, the GCI lends itself easily to a variety of space-time analyses useful for studying global cloud behavior.

Tanaka, Ken↗

Active control of nonlinear-nonstationary response and radiation of a panel-stringer structure near a supersonic jet

This paper is on the control of nonlinear-nonstationary vibration of an aircraft-type frame-stringer structure and the acoustic radiation resulting from high levels of excitation by a nearby supersonic model jet exhaust. The objective of the control is to reduce the acoustic fatigue and the interior noise in a high-speed aircraft. Control of the structural response is achieved by actively forcing the structure with an actuator at the shock oscillation frequency whose amplitude is locked into a self-control cycle. This controller follows the amplitude modulation that results from the rotation and counter-rotation of the jet column. Results show that the peak level of the power in the structural response due to shock impingement is reduced by a factor of 63, corresponding to a power level reduction of 18 dB. As a result, new broadband components emerge with at least four harmonics contributing to the broadening of the response spectrum. At accelerating and decelerating supersonic speeds, the exhaust from the jet induces higher transient loading on the nearby flexible structure due to the occurrence of multiple shocks from the jet.

Maestrello, Lucio↗

Active Control of the Operating Temperature in a Loop Heat Pipe with Two Evaporators and Two Condensers

The operating temperature of a loop heat pipe (LHP) with multiple evaporators is a function of the total heat load, heat load distribution among evaporators, condenser temperature and ambient temperature. Because of the many variables involved, the operating temperature also showed more hystereses than an LHP with a single evaporator. Tight temperature control can be achieved by controlling its compensation chamber (CC) temperatures at the desired set point. This paper describes a test program on active control of the operating temperature in an LHP with two evaporators and two condensers. Temperature control was achieved by heating one or both CC's. Tests performed included start-up, power cycle, sink temperature cycle, CC temperature cycle, and capillary limit. Test results show that, regardless one or two CC's were heated to the set point temperature, one of CC's was always flooded with liquid. The loop could operate successfully at the desired set point temperature under most conditions, including some fast transients. At low heat loads, however, the CC temperature could suddenly increase above the set point temperature, possibly due to a sudden change of the vapor content inside the evaporator core.

Ku, Jentung↗

Rapid Corner Detection Using FPGAs

In order to perform precision landings for space missions, a control system must be accurate to within ten meters. Feature detection applied against images taken during descent and correlated against the provided base image is computationally expensive and requires tens of seconds of processing time to do just one image while the goal is to process multiple images per second. To solve this problem, this algorithm takes that processing load from the central processing unit (CPU) and gives it to a reconfigurable field programmable gate array (FPGA), which is able to compute data in parallel at very high clock speeds. The workload of the processor then becomes simpler; to read an image from a camera, it is transferred into the FPGA, and the results are read back from the FPGA. The Harris Corner Detector uses the determinant and trace to find a corner score, with each step of the computation occurring on independent clock cycles. Essentially, the image is converted into an x and y derivative map. Once three lines of pixel information have been queued up, valid pixel derivatives are clocked into the product and averaging phase of the pipeline. Each x and y derivative is squared against itself, as well as the product of the ix and iy derivative, and each value is stored in a WxN size buffer, where W represents the size of the integration window and N is the width of the image. In this particular case, a window size of 5 was chosen, and the image is 640 480. Over a WxN size window, an equidistance Gaussian is applied (to bring out the stronger corners), and then each value in the entire window is summed and stored. The required components of the equation are in place, and it is just a matter of taking the determinant and trace. It should be noted that the trace is being weighted by a constant k, a value that is found empirically to be within 0.04 to 0.15 (and in this implementation is 0.05). The constant k determines the number of corners available to be compared against a threshold sigma to mark a valid corner. After a fixed delay from when the first pixel is clocked in (to fill the pipeline), a score is achieved after each successive clock. This score corresponds with an (x,y) location within the image. If the score is higher than the predetermined threshold sigma, then a flag is set high and the location is recorded.

Morfopoulos, Arin C.↗

Spatiotemporal Methane Emissions from Global Reservoirs

Methane (CH4) is a greenhouse gas which contributes significantly to global warming and has atmospheric concentrations which have increased considerably in the last few decades, primarily due to human-induced emissions. Natural sources such as wetlands and inland aquatic systems (i.e., reservoirs, lakes, rivers) contribute substantially to global emissions but these natural systems comprise the most uncertain components of the CH4 budget. This study addresses multiple gaps and uncertainties associated with global CH4 emissions from reservoirs and undertakes a spatial and temporal assessment of global reservoir emissions. The results from this study suggest that reservoirs occupy a global area about 300,000 km2 (comparable to the size of the country of Italy) and emit 10.1 Tg CH4 yr-1. We identify data and methodological elements of previous estimates that indicate they may overestimate these emissions. This work provides a suite of global data sets, gridded at 0.25° × 0.25°, considering reservoir surface area, spatial distribution, eco-climatic system type, and the full annual cycle of daily CH4 emissions.

Spatiotemporal↗

Build Orientation Dependent Microstructure in Polymer Laser Sintering: Relationship to Part Performance and Evolution with Aging

Laser sintering (LS) is widely used to produce functional polymeric parts; however, the resulting parts are often limited by their porous structure, and performance of the part may be strongly anisotropic. Relating the structural features of parts to build process conditions or powder feedstock has been explored previously. In contrast, little is known regarding how the unique internal structures of LS parts evolve and relate to their performance later in their life cycle, for example, after use in a real-world operating environment. In this study, a tightly controlled LS build process and measurement campaign by standard X-ray computed tomography (XCT), supported by high-resolution synchrotron XCT, was used to benchmark the internal microstructure (e.g. porosity) as a function of four different build orientations in printed polyamide-12 (PA-12) parts. The initial performance of the parts after printing was characterized by tensile testing and dynamic mechanical analysis (DMA). Arrays of PA-12 parts in different build orientations were exposed to steam (under pressure) and air across multiple temperature and time points for the purposes of accelerated aging through oxidative and hydrolytic breakdown. Exposing parts to steam dramatically altered the internal microstructure and functional properties such as the glass transition temperature, tensile properties, and damping behavior. Notably, post-aging XCT revealed large microstructural changes after only 40 h of steam treatment relative to the as-printed specimens. Furthermore, pore reorganization and changes in crystallinity occurred regardless of whether the steam temperature was aggressive enough to induce a significant loss in mechanical properties. The build orientation dependence on the aging rate was minimal with the relative trend in performance persisting across most metrics among the different orientations even after aging.

36 MATERIALS SCIENCE↗

Particulate Fuel Modeling of MC 2 -3 using Iterative Local Spatial Self-shielding Method

We report a new spatial self-shielding method for particulate fuels has been developed based on disadvantage factors and implemented in the MC 2 -3 code. This method named the iterative local spatial self-shielding (ILSS) method considers the shadowing effect of randomly distributed particles on spatial self-shielding in particles through a homogenized composition region added outside the particle of interest at the center. The self-shielded cross sections of the central particle are determined iteratively since they are used in determining the cross sections of the homogenized composition region. The ILSS method was verified for infinite stochastic medium problems of single and multiple types of particles, VHTR unit cell problems, and HTTR assembly problems. The verification test results show that the ILSS method accurately predicts the stochastic particle shadowing effect and reaction rates in particles, whereas the regular array model and the stochastic collision probability method underpredict the particle shadowing effect and overestimate reaction rates in particles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Pyromellitic diimide based bipolar molecule for total organic symmetric redox flow battery

Non-aqueous redox flow batteries based on total organic electrolytes, consisting of earth-abundant elements, i.e., C, H, N, O, are regarded as a promising technology for sustainable and large-scale energy storage. In particular, bipolar redox-active organic materials (BROMs) are distinctly fascinating as electroactive species because they have multiple oxidation states and can undergo multiple redox processes. By virtue of this unique characteristic, BROMs can be utilized as both anolyte and catholyte in symmetric flow batteries, consequently, helping alleviate cross-contamination issues. Here, in this paper, we report an all-organic symmetric redox flow battery based on diimide molecule as a bipolar electroactive material. The potential interval between the cathodic peak and the inner and outer anodic peaks led to a promising cell voltage of 2.22 V. The symmetric battery can be operated at a current density of 20 mA cm -2 , with a coulombic efficiency of 90% for over 100 cycles. This work proposes an alternative approach to designing multi-electron organic redox active materials to facilitate the advancement of high-density symmetric flow batteries.

25 ENERGY STORAGE↗

The need for speed – Burnup determination of spent nuclear fuel

Here we present the application of a novel analytical approach for high-speed evaluation of burn-up in spent nuclear fuel. This automated online separation–direct analysis method, which simultaneously measures the isotopic compositions and concentrations of Nd, Pu, and U using isotope dilution-inductively coupled plasma mass spectrometry, enables the determination of burnup in as little as 4.5 h per sample with expanded uncertainties as low as 1.2% using as little as 1µg of fuel. We compare the determined burn-up values, sample requirements, and analysis times with an ultra-high precision, in-house developed, methodology which employs multiple analytical techniques to measure the isotopic compositions and concentrations of Nd, Pu, and U yielding burn-up values with expanded uncertainties as low as 0.49% at the 95% confidence level, the lowest reported to date.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Pilot Testing of a Modular Oxygen Production System Using Oxygen Binding Adsorbents (Final Report)

In this project, RTI and Air Liquide have focused on the development of innovative oxygen separation materials and technologies based on reversibly binding of oxygen to enable smaller and cheaper air separations. In alignment with that object the team has had multiple achievements to advance the technology including: Synthesized and characterized novel M-CoSalen (RTIO2Sorb-1) material which showed a dynamic oxygen adsorption capacity in excess of 1wt%. Developed synthesis routes for RTIO2Sorb-1 with commercially relevant techniques and produced batches of 0.25kg and over 4 kg of total synthesis. Synthesized and characterized extrudate forms of the RTIO2Sorb-1 with relevant crush strength and maintained dynamic oxygen adsorption capacity in near 1wt%. Developed techniques for forming structured beds in fiber shapes with conventional materials. Developed a model for O 2 sorption processes to analyze various bed configurations and cycle parameters. Studied classic O 2 solid sorbents reported in the literature to learn oxygen binding mechanisms. Design a 10 kg/day O 2 VPSA pilot system with 2 or 4-bed operation. Completed a techno-economic analysis based on the experimental results and modeling. The overall objective of the project was to design, fabricate, and test a modular O 2 production system and perform a techno-economic analysis (TEA) after testing to determine the cost-benefit of the advanced modular air separation system. The goals of this technology development project were to achieve a bed-size factor (BSF) of less than 600 lb-adsorbent/TPD O 2 (ton/day O 2 ) (as compared with the state-of-the-art BSF of 850), and O 2 -purity greater than 95% at a cost that is projected to be equivalent or lower than the current state of the art (SOTA), commercially available large-scale cryogenic air separation systems. To achieve these goals and objective, the project team executed on (1) oxygen binding adsorbent optimization and scale up, (2) adsorbent material formation process studies to form the adsorbent material into structured beds for rapid pressure swing adsorption (PSA) cycles with low pressure drop, fast mass transfer, and low attrition, (3) cycle development studies to optimize the PSA process, and (4) develop simulation tools for rapid cycle modeling and numerical evaluation/optimization.

20 FOSSIL-FUELED POWER PLANTS↗

Layered Electrode Architectures Enabled by Holey Graphene Hosts

Battery electrodes are typically prepared using a slurry-based method, where high boiling point organic solvents are typically used with a polymer binder to disperse active electrode materials and conductive carbon additives followed by casting into current collector sheets. In this process, the use of organic solvents are environmentally hazardous, energy intensive, and time-consuming, while polymeric binders add weight and can undergo parasitic reactions during battery cycling. Here we discuss the use of a unique conductive carbon nanomaterial, namely holey graphene, as a multifunctional host that can be processed via a facile, solvent-free, binder-free, cold pressing method to prepare electrodes with unique architectures. This approach can accommodate a broad range of battery chemistries, such as lithium oxygen/carbon dioxide (Li-O2/CO2), lithium sulfur/selenium (Li-S/Se), and various lithium ion chemistries. The successful use of dry, cold compression allows the convenient modification of electrode mass loading with unique architectures containing active materials randomly mixed or layered with single or multiple layers of one or more active materials. In the conventional slurry-based electrode fabrication method, it is difficult, if not impossible, to achieve such layered architectures. In particular, the layered electrode architectures from the dry, cold press approach are easy to fabricate without significantly sacrificing device performance, and are amenable to continuous roll-to-roll dry processing. In addition, these architectures offer unprecedented perspectives on the battery material loading vs. utilization efficiency, as well as enabling unique characterization opportunities to advance mechanistic understanding of various battery chemistries. Potential applications of this unique electrode fabrication approach for solid-state batteries will also be discussed.

holey graphene, batteries, electrode architecture,↗