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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 505 records · Page 28

Identifying common stored product insects using automated deep learning methods

Monitoring stored product insect pests is a common practice for post-harvest management of stored grain and grain-based commodities, which helps ensure product quality from harvest to final consumer. Current methods of sampling and monitoring can be time-consuming, labor-intensive, expensive and require expertise in insect identification. Therefore, this study aims to develop an image-based automated identification system for common stored product insect species using deep-learning methods. Top-down images of the common stored product adult insect species of Rhyzopertha dominica, Cryptolestes ferrugineus, Tribolium castaneum, Sitophilus oryzae, and Oryzaephilus surinamensis were acquired and analyzed. Deep learning-based, state-of-the-art Convolutional Neural Networks (CNN) models (ResNet-50, MobileNet-v2, DarkNet-53, and EfficientNet-b0) were fine-tuned with a transfer learning approach to classify the insect species. All models were able to correctly identify the insect species with at least 96% accuracy and with few misclassifications. One issue with trained CNNs is that they do not explain the reasoning for the classification and are often called a “black box”. Therefore, visualization methods called Gradient-weighted Class Activation Mapping (Grad-CAM) were implemented to explore the black box network. The Grad-CAM uses heat maps to highlight the major image features that the network focused on to make insect species predictions. The Grad-CAM verifies the network's prediction and also helps improve network performance. This study contributes to the overall goal of developing a camera-based system for monitoring stored grain insects. As a result, the developed system would empower warehouse, flour mills, and other food facilities with a tool to quickly and accurately identify insect species in stored product environments and could be implemented as part of a close to real-time monitoring system.

60 APPLIED LIFE SCIENCES↗

Voltage decay and redox asymmetry mitigation by reversible cation migration in lithium-rich layered oxide electrodes

Despite the high energy density of lithium-rich layered-oxide electrodes, their real-world implementation in batteries is hindered by the substantial voltage decay on cycling. This voltage decay is widely accepted to mainly originate from progressive structural rearrangements involving irreversible transition-metal migration. As prevention of this spontaneous cation migration has proven difficult, a paradigm shift toward management of its reversibility is needed. Herein, we demonstrate that the reversibility of the cation migration of lithium-rich nickel manganese oxides can be remarkably improved by altering the oxygen stacking sequences in the layered structure and thereby dramatically reducing the voltage decay. The preeminent intra-cycle reversibility of the cation migration is experimentally visualized, and first-principles calculations reveal that an O2-type structure restricts the movements of transition metals within the Li layer, which effectively streamlines the returning migration path of the transition metals. Furthermore, we propose that the enhanced reversibility mitigates the asymmetry of the anionic redox in conventional lithium-rich electrodes, promoting the high-potential anionic reduction, thereby reducing the subsequent voltage hysteresis. Our findings demonstrate that regulating the reversibility of the cation migration is a practical strategy to reduce voltage decay and hysteresis in lithium-rich layered materials.

25 ENERGY STORAGE↗

Visualizing electrode assembly movement and lithiation heterogeneity in lithium-metal batteries using operando energy dispersive X-ray diffraction

There is renewed interest in Li-metal anodes in order to increase the energy density of battery cells. Here, we demonstrate an operando X-ray crystallography method to visualize lithiation gradients and electrode assembly movement during electrochemical cycling of a Li-metal cell containing a Ni-Mn-Co layered oxide cathode (NMC811). During charge, deposition of Li + ions from the cathode increases the Li foil thickness; during discharge, the thickness decreases as Li + ions are stripped off the foil. Additionally, the resulting periodic movement is observed through tracking of Bragg peaks from the ordered phases of the cathode and separator. In addition to this 3.6 μm/mAh displacement, continuous mossy Li build-up on the anode causes an irreversible drift of the assembly, which is similar to 11.3 μm/cycle. Furthermore, our data indicate significant lithiation gradients in the NMC811 cathode during the oxide relithiation, which is not observed during the delithiation.

25 ENERGY STORAGE↗

Thermodynamics of order and randomness in dopant distributions inferred from atomically resolved imaging

Abstract Exploration of structure-property relationships as a function of dopant concentration is commonly based on mean field theories for solid solutions. However, such theories that work well for semiconductors tend to fail in materials with strong correlations, either in electronic behavior or chemical segregation. In these cases, the details of atomic arrangements are generally not explored and analyzed. The knowledge of the generative physics and chemistry of the material can obviate this problem, since defect configuration libraries as stochastic representation of atomic level structures can be generated, or parameters of mesoscopic thermodynamic models can be derived. To obtain such information for improved predictions, we use data from atomically resolved microscopic images that visualize complex structural correlations within the system and translate them into statistical mechanical models of structure formation. Given the significant uncertainties about the microscopic aspects of the material’s processing history along with the limited number of available images, we combine model optimization techniques with the principles of statistical hypothesis testing. We demonstrate the approach on data from a series of atomically-resolved scanning transmission electron microscopy images of Mo x Re 1- x S 2 at varying ratios of Mo/Re stoichiometries, for which we propose an effective interaction model that is then used to generate atomic configurations and make testable predictions at a range of concentrations and formation temperatures.

25 ENERGY STORAGE↗

Probing the hydrolytic degradation of UF 4 in humid air

This manuscript describes the chemical transformations that occur during hydrolysis of uranium tetrafluoride (UF 4 ) due to its storage in humid air (85% and 50% relative humidity) at ambient temperatures. This hydrolysis was previously reported to proceed slowly or not at all (depending on the percent relative humidity); however, previous reports relied primarily on X-ray diffraction methods to probe uranium speciation. Here, we employ a battery of physiochemical probing techniques to explore potential hydrolysis, including Raman spectroscopy, powder X-ray diffraction, 19 F nuclear magnetic resonance spectroscopy, scanning electron microscopy, and focused ion beam microscopy with energy-dispersive X-ray spectroscopy. Of these, only Raman spectroscopy proved to be particularly useful at observing chemical changes to UF 4 . It was found that anhydrous UF 4 slightly oxidizes over the course of thirteen days to Schoepite-like uranium complexes and possibly UO 3 . In contrast, UF 4 exposed to 50% relative humidity slightly decomposes into UO 2 F 2 , Schoepite-like uranium complexes, and possibly a high order uranium oxide that eluded chemical assignment (U x O y ). Despite the rich chemical speciation observed in our Raman spectroscopy measurements, X-ray diffraction and 19 F NMR measurements on the same material showed no changes. Microscopy measurements suggest that the observed reactions between UF 4 and water occur primarily on the surface of UF 4 particulates via a method that is visually similar to surface corrosion of metals. Therefore, we postulate that NMR spectroscopy and X-ray diffraction, which are well-suited for bulk analysis, are less suited than Raman spectroscopy to observe the surface-based reactions that occur to UF 4 when exposed to humid air. Considering the importance of UF 4 in the production of nuclear fuel and weapons, the results presented herein are widely applicable to numerous nuclear science fields where uranium detection and speciation in humid environments is of value, including nuclear nonproliferation and nuclear forensics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Voltage-Based Strategies for Preventing Battery Degradation under Diverse Fast-Charging Conditions

Maintaining safe operating conditions is a key challenge for high-performance lithium-ion battery applications. The lithium-plating reaction remains a risk during charging, but limited studies consider the highly variable charging conditions possible in commercial cells. Here we combine pseudo-2D electrochemical modeling with data visualization methods to reveal important relationships between the measurable cell voltage and difficult-to-predict Li-plating onset criteria. An extensively validated model is used to compute Li plating for thousands of multistep charging conditions spanning diverse rates, temperatures, states-of-charge, and cell aging. Here we observe an empirical cell operating voltage limit below which plating does not occur across all conditions, and this limit varies with the battery state-of-charge and aging. A model sensitivity analysis also indicates that, when comparing two charging voltage profiles, the capacity difference at 4.0 V correlates well with the difference in the plating onset capacity. These results encourage simple strategies for Li-plating prevention that are complementary to existing battery controls.

25 ENERGY STORAGE↗

Evolution of Solid Electrolyte Interface on TiO 2 Electrodes in an Aqueous Li-Ion Battery Studied Using Scanning Electrochemical Microscopy

Scanning electrochemical microscopy (SECM) was applied for in situ visualization of solid electrolyte interface (SEI) evolution on the TiO 2 anode in a concentrated aqueous electrolyte during cycling. In nonaqueous electrolytes, the SEI is an electronic insulative layer composed of organic and inorganic components covering the electrode surface. However, in concentrated aqueous electrolytes, the SEI is mostly composed of inorganic compounds formed by electrolyte decomposition, such as LiF and Li 2 CO 3 , which are randomly distributed over the TiO 2 surface. In addition, the Ti 3+ and Li residuals accumulated through multiple cycling lead to an increase in the overall electronic conductivity of the TiO 2 anode. Furthermore during the resting period after cycling, an inverse process is observed with partial dissolution of the formed SEI and the diffusion of Li residuals back into the electrolyte.

25 ENERGY STORAGE↗

Modeling DNP3 Traffic Characteristics of Field Devices in SCADA Systems of the Smart Grid

In the generation, transmission, and distribution sectors of the smart grid, intelligence of field devices is realized by programmable logic controllers (PLCs). Many smart-grid subsystems are essentially cyber-physical energy systems (CPES): For instance, the power system process (i.e., the physical part) within a substation is monitored and controlled by a SCADA network with hosts running miscellaneous applications (i.e., the cyber part). To study the interactions between the cyber and physical components of a CPES, several co-simulation platforms have been proposed. However, the network simulators/emulators of these platforms do not include a detailed traffic model that takes into account the impacts of the execution model of PLCs on traffic characteristics. As a result, network traces generated by co-simulation only reveal the impacts of the physical process on the contents of the traffic generated by SCADA hosts, whereas the distinction between PLCs and computing nodes (e.g., a hardened computer running a process visualization application) has been overlooked. To generate realistic network traces using co-simulation for the design and evaluation of applications relying on accurate traffic profiles, it is necessary to establish a traffic model for PLCs. In this work, we propose a parameterized model for PLCs that can be incorporated into existing co-simulation platforms. We focus on the DNP3 subsystem of slave PLCs, which automates the processing of packets from the DNP3 master. To validate our approach, we extract model parameters from both the configuration and network traces of real PLCs. Simulated network traces are generated and compared against those from PLCs. Our evaluation shows that our proposed model captures the essential traffic characteristics of DNP3 slave PLCs, which can be used to extend existing co-simulation platforms and gain further insights into the behaviors of CPES.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

In Situ Visualization of the Pinning Effect of Planar Defects on Li Ion Insertion

Longevity of Li ion batteries strongly depends on the interaction of transporting Li ions in electrode crystals with defects. However, detailed interactions between the Li ion flux and structural defects in the host crystal remain obscure due to the transient nature of such interactions. Here, by in situ transmission electron microscopy and density function theory calculations, we reveal how the diffusion pathways and transport kinetics of a Li ion can be affected by planar defects in a tungsten trioxide lattice. We uncover that changes in charge distribution and lattice spacing along the planar defects disrupt the continuity of ion conduction channels and dramatically increase the energy barrier of Li diffusion, thus, arresting Li ions at the defect sites and twisting the lithiation front. In conclusion, the atomic-scale understanding holds critical implications for rational interface design in solid-state batteries and solid oxide fuel cells.

25 ENERGY STORAGE↗

Operando characterization and regulation of metal dissolution and redeposition dynamics near battery electrode surface

Mn dissolution has been a longstanding, ubiquitous issue that negatively impacts the performance of Mn-based battery materials. Mn dissolution involves complex chemical and structural transformations at the electrode-electrolyte interface. The continuously evolving electrodeelectrolyte interface has posed great challenges for characterizing the dynamic interfacial process and quantitatively establishing the correlation with battery performance. In this study, we visualize and quantify the temporally and spatially resolved Mn dissolution/redeposition (D/R) dynamics of electrochemically operating Mn-containing cathodes. The particle-level and electrode-level analyses reveal that the D/R dynamics is associated with distinct interfacial degradation mechanisms at different states of charge. Our results statistically differentiate the contributions of surface reconstruction and Jahn-Teller distortion to the Mn dissolution at different operating voltages. Introducing sulfonated polymers (Nafion) into composite electrodes can modulate the D/R dynamics through trapping the dissolved Mn species and rapidly establishing the local Mn D/R equilibrium. This work represents an inaugural effort to pinpoint the chemical and structural transformations responsible for Mn dissolution via an operando synchrotron study and develops an effective method to regulate Mn interfacial dynamics for improving battery performance.

25 ENERGY STORAGE↗

Supercooled liquid sulfur maintained in three-dimensional current collector for high-performance Li-S batteries

In lithium-sulfur (Li-S) chemistry, the electrically/ionically insulating nature of sulfur and Li 2 S leads to sluggish electron/ion transfer kinetics for sulfur species conversion. Sulfur and Li 2 S are recognized as solid at room temperature, and solid-liquid phase transitions are the limiting steps in Li-S batteries. Here, we visualize the distinct sulfur growth behaviors on Al, carbon, Ni current collectors and demonstrate that (i) liquid sulfur generated on Ni provides higher reversible capacity, faster kinetics, and better cycling life compared to solid sulfur; and (ii) Ni facilitates the phase transition (e.g., Li 2 S decomposition). Accordingly, light-weight, 3D Ni-based current collector is designed to control the deposition and catalytic conversion of sulfur species toward high-performance Li-S batteries. This work provides insights on the critical role of the current collector in determining the physical state of sulfur and elucidates the correlation between sulfur state and battery performance, which will advance electrode designs in high-energy Li-S batteries.

25 ENERGY STORAGE↗

Using operando techniques to understand and design high performance and stable alkaline membrane fuel cells

There is a need to understand the water dynamics of alkaline membrane fuel cells under various operating conditions to create electrodes that enable high performance and stable, long-term operation. Here we show, via operando neutron imaging and operando micro X-ray computed tomography, visualizations of the spatial and temporal distribution of liquid water in operating cells. We provide direct evidence for liquid water accumulation at the anode, which causes severe ionomer swelling and performance loss, as well as cell dryout from undesirably low water content in the cathode. We observe that the operating conditions leading to the highest power density during polarization are not generally the conditions that allow for long-term stable operation. This observation leads to new catalyst layer designs and gas diffusion layers. This study reports alkaline membrane fuel cells that can be operated continuously for over 1000 h at 600 mA cm -2 with voltage decay rate of only 32-μV h -1 – the best-reported durability to date.

25 ENERGY STORAGE↗

Isolation and conversion of electrolyte components into a value-added product

The overall objective of this work was to develop a process for effectively (i) recycling the electrolyte components from the end-of-life batteries and reduce the environmental hazard, (ii) understand the fundamental differences between pristine and recycled electrolyte components, (iii) electrochemically and analytically evaluate the recycled electrolyte components and (iv) establish deviations from the pristine electrolyte, and effectively separation of value-added product. We focused on determining scaling up the electrolyte recovery process by distillation of end-of-life batteries to get yield enough to use it for electrolyte formulation of reuse in the battery cell. The used cells from the ORNL battery manufacture facility (BMF)as well as received from the industry partner, Austin Elements Inc., was scaled to 10 used multilayered pouch cells in each batch of distillation and systematically separated and identified the electrolyte components of the used cells with FTIR and NMR studies. We were able to recovery 10g of solvent mass from the used pouch cells. NMR spectroscopy showed that the solvent was pure EMC,DMC and the sample was used to make a new battery cell. The end-of-life battery, it was noted that some cells were visually drier than the other cells and were more advanced in aged. In that case, even though the same distillation conditions were utilized, no usable mass of electrolyte solvent was recovered. It is expected that most of the solvent was decomposed during the battery charge-discharge cycling. The solid salt residue was separated by chemical and water treatment processes. Components of resulting solid product was analyzed by XRD and XPS measurements. The solid products are very much related to the salts used in the electrolyte solution.

25 ENERGY STORAGE↗

Visualizing percolation and ion transport in hybrid solid electrolytes for Li–metal batteries

Hybrid solid electrolytes are composed of organic (polymer) and inorganic (ceramic) ion conducting materials, and are promising options for large-scale production of solid state lithium–metal batteries. Hybrid solid electrolytes containing 15 vol% Al-LLZO demonstrate optimal ionic conductivity properties. Ionic conductivity is shown to decrease at high inorganic loadings. This optimum is most obvious above the melting temperature of polyethylene oxide where the polymer is amorphous. Structural analysis using synchrotron nanotomography reveals that the inorganic particles are highly aggregated. The aggregation size grows with inorganic content and the largest percolating clusters measured for 5 vol%, 15 vol% and 50 vol% were ~12 μm 3 , 206 μm 3 , and 324 μm 3 , respectively. Enhanced transport in hybrid electrolytes is shown to be due to polymer|particle (Al-LLZO) interactions and ionic conductivity is directly related to the accessible surface area of the inorganic particles within the electrolyte. Finally, ordered and well-dispersed structures are ideal for next generation hybrid solid electrolytes.

25 ENERGY STORAGE↗

Optimizing Error-Bounded Lossy Compression for Scientific Data With Diverse Constraints

Vast volumes of data are produced by today's scientific simulations and advanced instruments. These data cannot be stored and transferred efficiently because of limited I/O bandwidth, network speed, and storage capacity. Error-bounded lossy compression can be an effective method for addressing these issues: not only can it significantly reduce data size, but it can also control the data distortion based on user-defined error bounds. In practice, many scientific applications have specific requirements or constraints for lossy compression, in order to guarantee that the reconstructed data are valid for post hoc analysis. For example, some datasets contain irrelevant data that should be isolated in particular and users often have intuition regarding value ranges, geospatial regions, and other data subsets that are crucial for subsequent analysis. Existing state-of-the-art error-bounded lossy compressors, however, do not consider these constraints during compression, resulting in inferior compression ratios with respect to user's post hoc analysis, due to the fact that the data itself provides little or no value for post hoc analysis. In this work we address this issue by proposing an optimized framework that can preserve diverse constraints during the error-bounded lossy compression, e.g., cleaning the irrelevant data, efficiently preserving different precision for multiple value intervals, and allowing users to set diverse precision over both regular and irregular regions. We perform our evaluation on a supercomputer with up to 2,100 cores. Experiments with six real-world applications show that our proposed diverse constraints based error-bounded lossy compressor can obtain a higher visual quality or data fidelity on reconstructed data with the same or even higher compression ratios compared with the traditional state-of-the-art compressor SZ. Furthermore, our experiments also demonstrate very good scalability in compression performance compared with the I/O throughput of the parallel file system.

97 MATHEMATICS AND COMPUTING↗

Intelligent Monitoring Systems and Advanced Well Integrity and Mitigation

Long-term seismic monitoring of carbon capture and storage projects is needed to verify that the injected gas is safely stored in the subsurface until permanence can be assured. Conventional surface seismic monitoring techniques are usually expensive, require highly invasive surface operations, and need significant time investments on the part of personnel for both the field effort and processing the acquired data. For these reasons, permanent reservoir monitoring technologies are preferred, as they can offer a cost-effective solution for long-term monitoring. As part of the monitoring program of the Archer Daniels Midland’s large-scale injection of CO 2 in Decatur, Illinois, USA, a continuous seismic monitoring array was installed using a combination of surface orbital vibrator (SOV) sources and fiber-optic cables for distributed acoustic sensing (DAS) acquisition with the objective to build a continuous monitoring array. The aim of the presented project was to build a monitoring array and platform that integrates real-time seismic data with conventional data streams and provides continuous data analysis using dynamic computational models to deliver a comprehensive real-time assessment of subsurface conditions. It is in this context that the Intelligent Monitoring Systems and Advanced Well Integrity and Mitigation project was proposed with the objective to develop an integrated architecture that utilizes a permanent seismic monitoring network, combines the real-time geophysical and process data with reservoir flow and geomechanical models to create a comprehensive monitoring, visualization, and control system that delivers critical information for process surveillance and optimization.

54 ENVIRONMENTAL SCIENCES↗

Characterization of dynamic morphological changes of tin anode electrode during (de)lithiation processes using in operando synchrotron transmission X-ray microscopy

The morphological evolution of tin particles with different sizes during the first lithiation and delithiation processes has been visualized by an in operando synchrotron transmission X-ray microscope (TXM). Here, the in operando lithium ion battery cell was operated at constant current condition during TXM imaging. Two-dimensional projection images with 40 nm resolution showing morphological evolution were obtained and analyzed. The analysis of relative area change shows that the morphology of tin particles with different sizes changed simultaneously. This phenomenon is mainly because of a negative feedback mechanism among tin particles in the battery electrode at a constant current operating condition. For irregular-shaped tin particles, the contour analysis demonstrates that the regions with higher curvature started volume expansion first, and then the entire particle expanded almost homogeneously. This study provides insights for understanding the dynamic morphological change and the particle-particle interactions in high capacity lithium ion battery electrodes.

25 ENERGY STORAGE↗

Isolation and Conversion of Electrolyte Components into a Value-Added Product

The overall objective of this work was to develop a process for effectively (i) recycling the electrolyte components from the end-of-life batteries and reduce the environmental hazard, (ii) understand the fundamental differences between pristine and recycled electrolyte components, (iii) electrochemically and analytically evaluate the recycled electrolyte components and (iv) establish deviations from the pristine electrolyte, and effectively separation of value-added product. We focused on determining scaling up the electrolyte recovery process by distillation of end-of-life batteries to get yield enough to use it for electrolyte formulation of reuse in the battery cell. The used cells from the ORNL battery manufacture facility (BMF) as well as received from the industry partner, Austin Elements Inc., was scaled to 10 used multilayered pouch cells in each batch of distillation and systematically separated and identified the electrolyte components of the used cells with FTIR and NMR studies. We were able to recovery 10g of solvent mass from the used pouch cells. NMR spectroscopy showed that the solvent was pure EMC, DMC and the sample was used to make a new battery cell. The end-of-life battery, it was noted that some cells were visually drier than the other cells and were more advanced in aged. In that case, even though the same distillation conditions were utilized, no usable mass of electrolyte solvent was recovered. It is expected that most of the solvent was decomposed during the battery charge-discharge cycling. The solid salt residue was separated by chemical and water treatment processes. Components of resulting solid product was analyzed by XRD and XPS measurements. The solid products are very much related to the salts used in the electrolyte solution.

25 ENERGY STORAGE↗