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Accident mitigation based safety adequacy evaluation is anticipated to be less costly and time consuming than accident prevention for molten salt reactors due characteristics of the reactor class. The presentation provides an overview of the technical basis for developing accident mitigation-based regulatory guidance for future commercial molten salt reactor nuclear power plants.
Safety basis documentation development and review under U.S. Department of Energy (DOE) authorization have emerged as critical constraint throttling deployment of advanced nuclear reactors, with traditional processes demanding extraordinary resource investment that delays the delivery of these technologies. Traditional Documented Safety Analysis (DSA) processes rely on static documents with limited traceability [U.S. DOE]. The regulatory review and engagement processes are similarly constrained, often requiring significant effort and extensive manual verification. The scale of this challenge is exemplified by the U.S. Nuclear Regulatory Commission (NRC) review of the NuScale application, which required over 250,000 staff hours and the evaluation of approximately two million pages of documentation [Bergman 2021]. The volume and complexity of information within nuclear licensing applications or authorization reviews demands innovative approaches to document generation and data management.
This work presents the application of a methodology to measure domain expert trust and workload, elicit feedback, and understand the technological usability and impact when a machine learning assistant is introduced into contingency analysis for real-time power grid simulation. The goal of this framework is to rapidly collect and analyze a broad variety of human factors data in order to accelerate the development and evaluation loop for deploying machine learning applications. We describe our methodology and analysis, and we discuss insights gained from a pilot participant about the current usability state of an early technology readiness level (TRL) artificial neural network (ANN) recommender.
This presentation describes fiscal year 2022 status and accomplishments for NREL's Fuel Cell Bus Evaluations project.
Heterogeneous integration of microelectronic components provides a pathway to improve circuit/component performance; however, this comes with assembly challenges, in particular due to complex interfaces via subsurface bump bonds. The ability of these bonds to transmit electrical signals and conduct heat to the carrier substrate limits component performance. In this work, hyperspectral frequency‐domain thermoreflectance (FDTR) imaging is demonstrated as a robust technique for evaluating the quality of subsurface indium bump bonds in a surrogate microelectronic sample. By performing microscale FDTR imaging with coarse motion image stitching, thermal phase maps that cover a 4 mm by 4 mm field‐of‐view with subsurface feature sensitivity at depths greater than 50 µm are obtained. The resulting FDTR hyperspectral data contains more than three million pixels and reveal the quality of subsurface microbump arrays. Wide‐field analysis of bonded versus gap regions is enabled by deep neural network feature reconstruction, that after training, rapidly provides an interpretable representation of bond quality. Utility of noisy higher frequency FDTR phase maps, i.e., near the computationally predicted sensing depth limit, results in an average prediction error of 11%. Taken together, FDTR with neural network‐based analysis demonstrates subsurface bond monitoring at length scales relevant for heterogeneously integrated microelectronics.
Abstract Despite their wide applications, lithium‐ion batteries (LIBs) have been struggling with their safety risks arising from different lifetime stages. Here, the NCMA pouch cell is taken as an example, and the safety of both fresh and aged cells from three milestone stages, that is, internal short circuit (ISC) triggering risk, ISC mode, and the subsequent thermal runaway (TR) consequence is investigated. By combining mechanical abusive testing and physics‐based models on commercialized cells with various states‐of‐health (SOH) and states‐of‐charge, it is discovered that the ISC triggering delays with the decay of SOH and soft ISC mode will be triggered more frequently, which is mainly due to the mechanical behaviors of the current collectors. The temperature rises and peak temperature during the subsequent TR also become milder for aged cells due to the reduced capacity and deterministic soft ISC process. Results here provide a mechanistic explanation of the safety risk comparison between the fresh and aged cells, offering cornerstone guidance to the evaluation and design of next‐generation safer LIBs.
Abstract Measuring the growth rate of non‐model anaerobic microbes typically requires the use of time‐consuming and often destructive manual measurements. Here, an Arduino based automatic pressure evaluation system (A‐APES) was developed to automatically measure the rate of fermentation gas production as a proxy for microbial growth in anaerobic systems. The A‐APES system measures accumulated gas pressure in sealed cultures accurately at high‐resolution, while venting the system at programmed intervals to prevent over pressurization. The utility of A‐APES is demonstrated in this study by quantifying the growth rate and phases of a biomass‐degrading anaerobic gut fungus, which cannot be otherwise measured via conventional techniques due to its association with particulate substrates. Given the utility of the A‐APES approach, we provide a complete construction guide to fabricate the device, which is three times less expensive compared to existing commercial alternatives.
When surface ruts from vehicle activity occur above archeological deposits, there is a potential for an impact to the archeological record to occur. While impacts to the soil surface are relatively straightforward to describe, sub-surface disturbances are more difficult to quantify. In particular, disturbances to buried archeological materials can be difficult to characterize. Materials can be damaged by surface disturbances, but they can also be impacted even if they stay intact. Interpretation of intact materials relocated within the sediment column can be problematic. Traditional characterization methods (e.g. excavation) can also disturb archaeological materials. Here, we present a geotechnical compaction model that can be used to assist with sub-surface characterization under vehicle ruts formed during off-road travel. The model is based on a Boussinesq analysis of stress increase below a surface load. The change in bulk density resulting from compaction is assumed to be proportional to the stress increase. The model results were compared against pilot scale tests conducted with homogeneous sediment and field scale in-situ tests. The results indicate that the model generally agreed with measurements to within 20%, although only a single soil type was evaluated in these studies, with a narrow range of initial bulk densities and rut depths. While application of the model across a broader matrix of soil types, bulk densities and rut depths would increase confidence in the model, it appears that the model may be suitable for use in archeological field investigations. Potential uses include both compliance and research based field applications.
Summary Parallel I/O is a critical technique for moving data between compute and storage subsystems of supercomputers. With massive amounts of data produced or consumed by compute nodes, high‐performant parallel I/O is essential. I/O benchmarks play an important role in this process; however, there is a scarcity of I/O benchmarks representative of current workloads on HPC systems. Toward creating representative I/O kernels from real‐world applications, we have created h5bench , a set of I/O kernels that exercise hierarchical data format version 5 (HDF5) I/O on parallel file systems in numerous dimensions. Our focus on HDF5 is due to the parallel I/O library's heavy usage in various scientific applications running on supercomputing systems. The various tests benchmarked in the h5bench suite include I/O operations (read and write), data locality (arrays of basic data types and arrays of structures), array dimensionality (one‐dimensional arrays, two‐dimensional meshes, three‐dimensional cubes), I/O modes (synchronous and asynchronous). In this paper, we present the observed performance of h5bench executed along several of these dimensions on existing supercomputers (Cori and Summit) and pre‐exascale platforms (Perlmutter, Theta, and Polaris). h5bench measurements can be used to identify performance bottlenecks and their root causes and evaluate I/O optimizations. As the I/O patterns of h5bench are diverse and capture the I/O behaviors of various HPC applications, this study will be helpful to the broader supercomputing and I/O community.
Abstract Nitrification regulates the potential for nitrogen (N) loss from ecosystems because it converts ammonium to nitrate, which is susceptible to leaching and gaseous emissions. Crops can suppress the microbes that perform nitrification by exuding nitrification‐inhibiting compounds from their roots and taking up available ammonium. However, the effect of nitrification suppression on agroecosystem N losses remains poorly characterized, and a lack of temporal synchrony between nitrification, N losses, and nitrification suppression by plants could limit the effect of nitrification suppression. We used the DayCent‐CABBI model to evaluate the effectiveness of the suppression of nitrification by sorghum to reduce N 2 O emissions and nitrate leaching in an energy sorghum/soybean rotation at the Energy Farm in Urbana‐Champaign, IL. We simulated nitrification suppression at the measured levels (MeasNS) and at the maximum measured level applied to the entire growing season (MaxNS), and we also explored ways to better utilize nitrification suppression by altering the timing of urea–ammonium–nitrate fertilizer applications. Model experiments showed that most nitrification occurred immediately after fertilizer was applied, whereas nitrification suppression began to ramp up more than a month after planting. On an annual basis, MeasNS experiments showed a 1%–2% reduction in annual N 2 O emissions relative to no nitrification suppression (NoNS), and MaxNS experiments showed a 4%–9% reduction in annual N 2 O emissions relative to NoNS. Both nitrification suppression levels showed <1% reduction in nitrate leaching. Altering the timing of fertilizer applications to better synchronize nitrification suppression with high soil ammonium levels had mixed effects on annual N 2 O emissions and nitrate leaching and sometimes resulted in increased N losses. The timing of simulated N 2 O emissions shifted with the timing of fertilization, and N 2 O emissions from denitrification increased when N 2 O emissions from nitrification decreased. Increasing N retention during the non‐growing season may be more effective than growing‐season nitrification suppression for reducing annual N losses in the rainfed Midwest.
The Hanford site is currently one of the largest and most expensive cleanup sites for hazardous, radioactive waste. Over 20% of the waste found at the Hanford site is in the form of a high activity sludge. The insoluble solids in the sludge will need to be concentrated prior to vitrification in the high-level waste (HLW) melter. This will minimize the amount of liquid that will be evaporated during the melting process and expedite the melter processing rate. One proposed option for concentrating the insoluble solids is gravity settling in the storage tanks. Metal oxide compounds containing aluminum and iron make up the majority of the insoluble solids in the sludge, therefore understanding the behavior of these compounds in various tank waste matrices can facilitate sludge pretreatment options. A study of non-radioactive slurry solutions containing Al(OH) 3 (gibbsite), AlO(OH) (boehmite), and Fe 2 O 3 (iron (III) oxide) was conducted to determine the time dependent interface behavior and settling rates of these compounds. Variations in solids loading and sodium concentration were evaluated to represent waste processing conditions and the results of these settling studies were compared with prior tank waste settling tests. Information gathered from these studies can be used to inform future decisions on sludge treatment processes of the insoluble solids processed at the Hanford site.
Abstract Geologic parameters, geophysical logging, injection testing, and operational metrics from wastewater injection wells were integrated to develop a preliminary design of a carbon storage facility in the Appalachian Basin. A scattered group of 10–20 commercial wastewater injection wells dispose off produced water from oil and gas wells in the region, utilizing a sequence of stacked deep saline formations for injection zones. These wastewater injection wells provide practical benchmarks for understanding the feasibility of carbon dioxide (CO 2 ) storage. Geologic models were developed based on characterization data from the wastewater injection wells. Reservoir simulations were calibrated according to injection testing and operational data from the wastewater injection wells. Long‐term operational data on injection flow rates and pressures measured in the wastewater injection wells were especially useful to evaluate the performance of carbon storage applications. The simulations were used to estimate injection pressures, radius of CO 2 saturation, and pressure response for industrial scale CO 2 storage applications. Results were also used to provide a design basis in terms of number of injection wells, well spacing, area of review, injection system components, monitoring plan, and CO 2 pipeline distribution system. The analysis demonstrates that there is sufficient injectivity in the deep saline formations in the west‐central Appalachian Basin to store commercial volumes of anthropogenic CO 2 . The geologic system appears suitable for supporting CO 2 injection rates of 0.5–1.0 million metric tons per year at injection pressures below formation fracture pressure in a single well. The long‐term operational data of wastewater injection wells within the study area suggested a lower permeability‐thickness values than indicated by initial reservoir tests. A workflow for developing realistic permeability values for input into reservoir simulations is presented. © 2020 Society of Chemical Industry and John Wiley & Sons, Ltd.
Cryogenic transmission electron microscopy (cryo–TEM) combined with single particle analysis (SPA) is an emerging imaging approach for soft materials. However, the accuracy of SPA–reconstructed nanostructures, particularly those formed by synthetic polymers, remains uncertain due to potential packing heterogeneity of the nanostructures. In this study, the combination of molecular dynamics (MD) simulations and image simulations is utilized to validate the accuracy of cryo–TEM 3D reconstructions of self–assembled polypeptoid fibril nanostructures. Using CryoSPARC software, image simulations, 2D classifications, ab initio reconstructions, and homogenous refinements are performed. By comparing the results with atomic models, the recovery of molecular details is assessed, heterogeneous structures are identified, and the influence of extraction location on the reconstructions is evaluated. In conclusion, these findings confirm the fidelity of single particle analysis in accurately resolving complex structural characteristics and heterogeneous structures, exhibiting its potential as a valuable tool for detailed structural analysis of synthetic polymers and soft materials.
Single photon emission computed tomography (SPECT) scanner using cadmium zinc telluride (CZT) offers improved imaging capability over conventional NaI (Tl)-based SPECT scanner. We aim to demonstrate a full-ring SPECT system design with eight large-area CZT detectors that can be used for a broad spectrum of SPECT radiopharmaceuticals and provides higher sensitivity and better spatial resolution than those of conventional NaI (Tl)-based gamma cameras. A newly-designed full-ring SPECT system is composed of 8 large-area CZT cameras (128 mm × 179.2 mm effective area) that can be independently swiveled around their own axes of rotation independently and can have radial motion for varying aperture sizes that can be adapted to different sizes of imaging volume. Extended projection data were generated by conjoining projections of two adjacent detectors to overcome the limited field-of-view (FOV) by each CZT camera. Using Monte Carlo simulations, we evaluated this new system design with digital phantoms including a Derenzo hot-rod phantom and a Zubal brain phantom. Comparison of performance metrics such as spatial resolution, sensitivity, contrast-to-noise ratio (CNR), and contrast-recovery ratio were made between our design and a conventional SPECT scanner. The proposed scanner could result in up to about 3 times faster in acquisition time over conventional scan time at same acquisition time per step. The spatial resolution of our proposed scanner was similar or better to that of the conventional scanner, and there was significant performance improvement over the conventional scanner particularly in sensitivity (approximately 4 times). Overall, we successfully reconstructed the phantom image for both 99 mTc-based perfusion and 123 I-based dopamine transporter (DaT) brain studies simulated for our new design. In particular, the striatal/background contrast-recovery ratio in 3-to-1 reference ratio was over the 0.8 for the 123 I-based DaT study. In conclusion, we demonstrated the potential of our new full-ring CZT SPECT design, showing improved performance metrics such as improved system sensitivity and CNR while maintaining other important imaging parameters such as spatial resolution.
CdTe films are deposited at low temperatures and recrystallized to photovoltaic device quality using CdCl 2 treatments, leading to competitive manufacturing costs. Cu(In,Ga)Se 2 (CIGS) typically requires high-temperature, low-rate depositions to produce high-efficiency devices, resulting in higher costs. A similar metal halide treatment of CIGS has been demonstrated by us previously for some metal halide sources. To understand and optimize the process, a thermodynamic evaluation of candidate metal halides for such treatments is presented as a guide for their selection. By comparing bond dissociation energies, mono- and di-halide compounds are proposed to be ideal compounds to act as transport agents. Known recrystallization and temperature reduction benefits by Ag alloying suggests that Ag-halides should be used to aid transport of all species. The high vapor pressure and mobility of Ga compounds still poses a problem for metal halide treatment resulting in Ga etching and removal of intentional Ga gradients. Less severe but similar issues with In compounds may occur. As a result, Cu compounds have low vapor pressures which may limit transport, however, Cu is highly mobile in CIGS and recrystallization still occurs.
In view of the increasing interest and market share of bifacial cells and modules, suitable substrates such as glass and transparent backsheets along with ethylene vinyl acetate (EVA) and polyolefin elastomer (POE) encapsulants were examined in combined-accelerated stress testing (C-AST) to evaluate and compare degradation modes. Testing with both monofacial and bifacial cells, we found glass-glass modules with monofacial cells led to greater grid finger breakage than those with polymeric backsheets. Furthermore, this is attributed to previous X-ray topography and modeling work showing higher stress in cells and interconnections in glass-glass modules than glass-backsheet modules. Consistent with the objectives of C-AST, which stresses modules at levels corresponding to the limits seen in the natural environment, we observed the UV-fluorescence signatures of modules tested in C-AST (considering the degradation associated with developing chromophores, moisture penetration and photobleaching effects) to be like those in fielded modules, more so than other chamber stress testing implemented for comparison. We found light-induced degradation (LID) in module types with regenerated (inactive) cells with C-AST, suggesting the possibility of LID destabilization in some field conditions. We could also distinguish potential-induced degradation (PID) on the back of the bifacial passivated emitter and rear cells (PERC) in C-AST. Confirming with ex-situ tests, we found polarization-type PID most prevalent in glass-glass modules with EVA as would be anticipated considering the greater leakage current through such module encapsulation. Unlike PID tests performed in the dark, which can lead to false positive PID test results, field-representative illumination is experienced by the modules on the front and back side while –1200 V system voltage is applied in C-AST, supporting the conclusion that this module type with glass-glass construction would be susceptible to PID in the field.
Abstract Potential‐induced degradation‐polarization (PID‐p) can reduce module power, but how to project the extent to which PID‐p may occur in field conditions considering the factors of system voltage, condensed moisture, temperature, and illumination has not been clarified. Using tunnel oxide passivated contact (TOPCon) modules, this work demonstrates a method to test full‐size crystalline silicon PV modules for PID‐p to provide field‐representative results. In initial screening tests with positive or negative 1000 V electrical bias applied at 60°C for 96 h using Al foil electrodes on the glass surfaces, the module type exhibited reversible PID‐p only on the front face when the cell circuit was in negative voltage potential. No PID was detected on the rear after testing in either polarity. We then evaluated the PID‐p sensitivity on the front side under different UV irradiances while maintaining the glass surface wet to estimate real‐world susceptibility to PID‐p. The magnitude of the observed behavior was fit using a previously developed charge transfer and depletion by light model. Whereas power loss with −1000 V applied to the cell circuit at 60°C for 96 h in the dark was about 30%, testing the module front under 0.051 W·m −2 nm −1 at 340 nm UVA irradiation using fluorescent tubes, the mean degradation was only 3%. When the modules were tested in the dark for PID‐p with in situ dark current–voltage (I‐V) characterization, the thermal activation energy for degradation was 0.71 eV; for recovery in the dark, it was 0.58 eV. Whereas recovery from the degraded state at 60°C in the dark without voltage bias was 5% absolute in 38 h, rapid recovery of about 5% absolute was observed with 1000 W·s/m 2 exposure at 25°C using a flash tester.
ABSTRACT Accurate biomolecular structure prediction enables the prediction of mutational effects, the speculation of function based on predicted structural homology, the analysis of ligand binding modes, experimental model building, and many other applications. Such algorithms to predict essential functional and structural features remain out of reach for biomolecular complexes containing nucleic acids. Here, we report a quantitative and qualitative evaluation of nucleic acid structures for the CASP16 blind prediction challenge by 12 of the experimental groups who provided nucleic acid targets. Blind predictions accurately model secondary structure and some aspects of tertiary structure, including reasonable global folds for some complex RNAs; however, predictions often lack accuracy in the regions of highest functional importance. All models have inaccuracies in non‐canonical regions where, for example, the nucleic‐acid backbone bends, deviating from an A‐form helix geometry, or a base forms a non‐standard hydrogen bond (not a Watson‐Crick base pair). These bends and non‐canonical interactions are integral to forming functionally important regions such as RNA enzymatic active sites. Additionally, the modeling of conserved and functional interfaces between nucleic acids and ligands, proteins, or other nucleic acids remains poor. For some targets, the experimental structures may not represent the only structure the biomolecular complex occupies in solution or in its functional life cycle, posing a future challenge for the community.