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At least 757 records · Page 42

100th Anniversary of Macromolecular Science Viewpoint: Fundamentals for the Future of Macromolecular Nitroxide Radicals

Macromolecular radicals, radical polymers, and polyradicals bear unique functionalities derived from their pendant radical groups. Here, the increasing need for organic functional materials is driving the growth in research interest in macromolecular radicals for batteries, electronics, memory, and imaging. This Viewpoint summarizes the current state-of-knowledge regarding the macromolecular nitroxide radicals’ redox mechanism, conductivity, chain conformation, controlled polymerization, network structure, conjugated forms, and applications. The nitroxide radical group is the focus because it is the most widely studied. Although most literature focuses upon applications, an emerging body of work is highlighting the fundamental physicochemical properties of macromolecular radicals. To this end, this Viewpoint recommends areas of opportunity in fundamental studies and best practices in reporting.

36 MATERIALS SCIENCE↗

Sustainable Electric Vehicle Batteries for a Sustainable World: Perspectives on Battery Cathodes, Environment, Supply Chain, Manufacturing, Life Cycle, and Policy

Abstract Li‐ion batteries (LIBs) can reduce carbon emissions by powering electric vehicles (EVs) and promoting renewable energy development with grid‐scale energy storage. However, LIB production and electricity generation still heavily rely on fossil fuels at present, resulting in major environmental concerns. Are LIBs as environmentally friendly and sustainable as expected at the current stage? In the past 5 years, a skyrocketing growth of the EV market has been witnessed. LIBs have garnered huge attention from academia, industry, government, non‐governmental organizations, investors, and the general public. Tremendous volumes of LIBs are already implemented in EVs today, with a continuing, exponential growth expected for the years to come. When LIBs reach their end‐of‐life in the next decades, what technologies can be in place to enable second‐life or recycling of batteries? Herein, life cycle assessment studies are examined to evaluate the environmental impact of LIBs, and EVs are compared with internal combustion engine vehicles regarding environmental sustainability. To provide a holistic view of the LIB development, this Perspective provides insights into materials development, manufacturing, recycling, legislation and policy, and beyond. Last but not least, the future development of LIBs and charging infrastructures in light of emerging technologies are envisioned.

36 MATERIALS SCIENCE↗

Quantifying the effects of urbanization on floods in a changing environment to promote water security — A case study of two adjacent basins in Texas

The increased occurrence of flood events resulting from urbanization and global climate change is a great threat to water security. To systematically evaluate the impacts of urbanization on floods, here we applied a paired catchments approach to two adjacent river basins in south-central Texas — the San Antonio River Basin (SARB), with fast urbanization; and the Guadalupe River Basin (GRB), with little land cover change. A physics-based distributed hydrological model — the Distributed Hydrology Soil Vegetation Model, embedded with a multi-purpose reservoir module (DHSVM-Res) — was used to simulate streamflow and reservoir storage. The simulations were conducted under different land cover scenarios, including a newly developed continuous land cover series (CLCS). Holistic analyses were then conducted for the paired basins using three methods: analyzing the selected flood events, detecting change points (CP) of monthly floods, and testing the elasticity of long-term flood regimes. The results suggest that: (1) urbanization may reduce lag time and elevate flood peaks significantly by 3–30% in our study area; (2) when there is little land cover change, changing climate is the major driver of variations in the monthly maximum streamflow (MMS); (3) fast urbanization can amplify streamflow variability, increase MMS significantly, and thus alter the timing of CP; and (4) the mean MMS of observed streamflow in the SARB has increased by as much as 75.7% from the pre-CP to post-CP periods. This comprehensive study fills in a gap in our current understanding of the isolated impacts of urbanization on flooding and is expected to support future explorations of anthropogenic influences on floods.

54 ENVIRONMENTAL SCIENCES↗

Efficient and Robust p-Type Transistor Based on Ultrawide-Bandgap Semiconductor

The p-type transistor is an indispensable component of semiconductor technology, enabling a complementary operation with n-channel transistors for computation, storage, and communication. Achieving both high robustness and high efficiency is highly desirable but challenging for p-type transistors due to the limited semiconductors with reliable hole transport and their high activation energies. Here, in this study, we achieved a robust yet efficient p-type transistor by heterogeneously integrating an ultrawide-bandgap semiconductor and a high-κ dielectric layer through van der Waals integration. The p-type transistor employs a two-dimensional hole channel on hydrogenated diamond (bandgap 5.6 eV) combined with a high-κ (30.5) SrTiO 3 perovskite membrane. At room temperature, the transistor exhibits stable operation with a high on-current (∼200 mA/mm), low subthreshold swing (70 mV/dec), high hole mobility (566 cm 2 /(V·s) to 572 cm 2 /(V·s)), and high on–off ratio (∼10 9 ). Furthermore, tuning the annealing temperature allows operation in either enhancement or depletion mode. The robust p-type transistor with high efficiency holds great potential for future power electronics, ultraviolet (UV) optoelectronics, and harsh-environment electronic applications.

high-κ membrane↗

Effectiveness and predictability of in-network storage cache for Scientific Workflows

Large scientific collaborations often have multiple scientists accessing the same set of files while doing different analyses, which create repeated accesses to the large amounts of shared data located far away. These data accesses have long latency due to distance and occupy the limited bandwidth available over the wide-area network. To reduce the wide-area network traffic and the data access latency, regional data storage caches have been installed as a new networking service. To study the effectiveness of such a cache system in scientific applications, we examine the Southern California Petabyte Scale Cache for a high-energy physics experiment. By examining about 3TB of operational logs, we show that this cache removed 67.6% of file requests from the wide-area network and reduced the traffic volume on wide-area network by 12. 3TB (or 35.4%) an average day. The reduction in the traffic volume (35.4%) is less than the reduction in file counts (67.6%) because the larger files are less likely to be reused. Due to this difference in data access patterns, the cache system has implemented a policy to avoid evicting smaller files when processing larger files. We also build a machine learning model to study the predictability of the cache behavior. Tests show that this model is able to accurately predict the cache accesses, cache misses, and network throughput, making the model useful for future studies on resource provisioning and planning.

Sim, Caitlin↗

A Comparative Study of Available Water in the Major River Basins of the World

Numerous large river basins of the world have few and irregular observations of the components of the terrestrial hydrological cycle with the exception of stream gauges at a few locations and at the outlet along with sparsely distributed rain gauges. Using observations from satellite sensors and output from global land surface models, it is possible to study these under-observed river basins. With populations greater than a billion people, some of these rivers (e.g., the Ganga-Brahmaputra, the Yangtze, the Nile and the Mekong) are the economic engines of the countries they transect, yet thorough assessment of their flow dynamics and variability in regard to water resource management is still lacking. In this paper, we use soil moisture (0-2m) and surface runoff from the NASA Global Land Data Assimilation System (GLDAS), evapotranspiration, and Normalized Difference Vegetation Index (NDVI) from the Moderate Resolution Imaging Spectroradiometer (MODIS) and rainfall from the Tropical Rainfall Measuring Mission (TRMM) and total water storage anomaly from the Gravity Recovery and Climate Experiment (GRACE) to examine variability of individual water balance components. To this end, understanding the inter-annual and intra-seasonal variability and the spatial variability of the water balance components in the major river basins of the world will help to plan for improved management of water resources for the future.

GLDAS↗

Autonomous Multistate Nanoencoding Using Combinatorial Ferroelectric Closure Domains in BiFeO 3

Recent advances in ferroic materials have identified topological defects as promising candidates for enabling additional functionalities in future electronic systems. The generation of stable and customizable polar topologies is needed to achieve multistates that enable beyond-binary device architectures. Here, in this study, we show how to autonomously pattern on-demand highly tunable striped closure domains in pristine rhombohedral-phase BiFeO 3 thin films through precise scanning of a biased atomic force microscopy tip along carefully designed paths. By employing this strategy, we generate and manipulate closed-loop structures with high spatial resolution in an automated manner, allowing the creation of highly tunable and intricate topological domain structures that exhibit distinct polarization configurations without the need for electrode deposition or complex heterostructure growth. As a proof-of-concept for ferroelectric beyond-binary memory devices, we use such topological domains as multistates, engineering an alphabet and automating the symbolic writing/reading process using autonomous microscopy. The resulting information density is compared with that of current commercially available memory devices, demonstrating the potential of ferroelectric topological domains for multistate information storage applications.

BiFeO3↗

Decadal-scale recovery of carbon stocks after wildfires throughout the boreal forests

Boreal forests store 30% of the world's terrestrial carbon (C). Consequently, climate change mediated alterations in the boreal forest fire regime can have a significant impact on the global C budget. Here, we synthesize the effects of forest fires on the stocks and recovery rates of C in boreal forests from 368 plots from 16 long-term (= 100 years) fire chronosequences spread throughout the boreal zone. The mean annual temperature varied from -9.5°C to +5.2°C and annual precipitation from 295 mm to 824 mm in the study sites. Total C stocks decreased on average by 60% (range from <10% to >80%) because of forest fires, primarily due to large declines in the living trees and O-layer C stocks. C emissions of fires ranged from 0.1 to 11.4 kg m-2, and in most cases, the emissions were < 4 kg m-2. Total C stocks increased with time since fire following a sigmoidal shape Gompertz function, and it took 125 years until an average asymptote of 8.1 kg C m-2 was reached. Total C stocks accumulated at a rate of 2–60 g m-2 yr-1 during the first 100 years. We found that potential evapotranspiration (PET) was significantly correlated with C stocks and their post-fire recovery, likely because it integrates temperature, radiation and the length of the growing season. If the fire return interval shortens to under 100 years in the future, this suggests that many boreal forests will be prevented from reaching their full C storage potential. However, our results suggest that climate warming-induced increases in PET may also speed up the post-fire recovery of C stocks.

carbon accumulation, carbon pools, chronosequence,↗

Towards the Commercialization of the All-Solid-State Li-ion Battery: Local Bonding Structure and the Reversibility of Sheet-Style Si-PAN Anodes

A slurry-coated sheet-style Si-based anode is developed for use in all-solid-state Li-ion batteries. Inexpensive, mixed-conducting polyacrylonitrile (PAN) is utilized as both binder and conductive additive, enabling Si-rich electrodes (70 wt%) to attain large reversible capacities ~1,500 mAh g-1 (Si) at 1 C rates (>3 mA cm -2 ). Cross sectional analysis of a discharged all-solid-state half-cell indicates that the Si-PAN anode achieves the largest volumetric specific capacity ever reported for a Li-ion electrode (>1500 mAh cm -3 ). Ex situ Raman spectroscopic studies reveal that the anodes' reversibility is attributed to the preservation of small tetrahedrally coordinated clusters within their Si nanoparticles upon discharge. We therefore argue that careful lithiation limitations should be implemented in all Si-based Li-ion anodes to preserve this local tetrahedral atomic structure. Furthermore, the slurry-coated sheet-style Si-PAN anodes have been successfully cycled in all-solid-state full-cells against high-voltage nickel-rich NMC 811 composite cathodes to encourage future commercialization of similar sheet-style all-solid-state designs.

25 ENERGY STORAGE↗

Inertia Estimation and Trend Analysis of the United States Power Grid Interconnections

The transition from conventional to modern power systems is causing an increase in integration of inverter-based resources (IBRs). This generally leads to a decrease in total system inertia, which in-turn increases the system’s rate-of-change-of-frequency (RoCoF) during disturbances. This poses a threat to the frequency stability of the system and may falsely trigger protective devices. To monitor system status and plan for integrating renewable energy sources like photovoltaic, wind, and energy storage systems, a realistic study of inertia estimation and analysis in the United States (US) over the past decade is needed. This paper uses field-measured phasor measurement unit (PMU) data collected throughout the US from 2013 to 2023 via the Frequency Monitoring Network (FNET/GridEye) operated by the University of Tennessee, Knoxville (UTK) and Oak Ridge National Laboratory (ORNL). The collected PMU frequency data is utilized to estimate the system inertia of the three US interconnections: Eastern, Western, and Texas. Various RoCoF time windows are investigated for estimating the inertia of each interconnection by maximizing the correlation coefficient between the measured RoCoF and power mismatch. The resulting inertia trends over the past decade show approximately a 6% decline in inertia in the Eastern interconnection, a 15% decline in inertia in the Western interconnection, and a 16% increase in inertia in Texas. Key insights into how inertia is changing amidst the complex energy landscape are extracted using the fuel mix trend data. This provides valuable information for future energy strategies and planning.

30 DIRECT ENERGY CONVERSION↗

In Search of Optimum Fresh-Cut Raw Material: Using Computer Vision Systems as a Sensory Screening Tool for Browning-Resistant Romaine Lettuce Accessions

The popularity of ready-to-eat (RTE) salads has prompted novel technology to prolong the shelf life of their ingredients. Fresh-cut romaine lettuce is widely used in RTE salads; however, its tendency to quickly discolor continues to be a challenge for the industry. Selecting the ideal lettuce accessions for use in RTE salads is essential to ensure maximum shelf life, and it is critical to have a practical way to assess and compare the quality of multiple lettuce accessions that are being considered for use in fresh-cut applications. Thus, in this work we aimed to determine whether a computer vision system (CVS) composed of image acquisition, processing, and analysis could be effective to detect visual quality differences among 16 accessions of fresh-cut romaine lettuce during postharvest storage. The CVS involved a post-capturing color correction, effective image segmentation, and calculation of a browning index, which was tested as a predictor of quality and shelf life of fresh-cut romaine lettuce. The results demonstrated that machine vision software can be implemented to replace or supplement the scoring of a trained panel and instrumental quality measurements. Overall visual quality, a key sensory parameter that determines food preferences and consumer behavior, was highly correlated with the browning index, with a Pearson correlation coefficient of −0.85. Other important sensory decision parameters were also strongly or moderately correlated with the browning index, with Pearson correlation coefficients of −0.84 for freshness, 0.79 for off odor, and 0.57 for browning. The ranking of the accessions according to quality acceptability from the sensory evaluation produced a similar pattern to those obtained with the CVS. This study revealed that multiple lettuce accessions can be effectively benchmarked for their performance as fresh-cut sources via a CVS-based method. Future opportunities and challenges in using machine vision image processing to predict consumer preferences for RTE salad greens is also discussed.

Agriculture↗

An analysis of physics limited dispatch of nuclear renewable integrated energy systems using deep reinforcement learning and dynamic modeling

Previous approaches to dispatching nuclear integrated energy systems (NIES) have focused on the profitability and flexibility of these systems to operate on energy grids with highly variable pricing. However, due to the complexity involved in modeling and designing these systems, there has been less emphasis on ensuring that these dispatch strategies are physically achievable. It is imperative to develop methods that allow the system to remain within the desired NIES operating conditions and perform this based on realistic limited forecasted information. This research employs next generation artificial intelligence, namely deep reinforcement learning (DRL), and a dynamic system model written in Modelica to find a safe and profitable dispatch strategy for a solar nuclear hybrid design. The DRL agent is shown to find a novel dispatch strategy that manages both power ramping and power levels while respecting operational limits. This DRL-based dispatch is compared to other dispatching strategies including an optimal design solution from mixed integer linear programming (MILP). It is found that incorporating the physics of such a tightly coupled NIES limits the profitability of the MILP-based dispatch strategy. As a result, the MILP solution overestimates the design’s generated revenue. In contrast, DRL significantly reduces the number of breaches of safe operational conditions during energy arbitrage while maintaining profitability. Furthermore, this work paves the way for a more detailed assessment of NIES profitability and could be used to aid operator decisions on future NIES projects.

14 - SOLAR ENERGY↗

Electrochemical leaching of spent LIBs: Kinetics, novel reactor, and modeling

The use of electrons as main reagent for the recovery and recycling of critical metals from spent lithium-ion batteries (LIBs) is a process electrification strategy that can be used to close the life-cycle loop of LIBs through more sustainable methods. Electrochemical leaching, a process that uses a reductant that is constantly regenerated electrochemically for the leaching of lithium-ion battery black mass (LIBBM), has shown high extraction efficiencies and sustainable scores. However, slow kinetics, reactor design challenges and lack of deeper understanding of the underlying processes are barriers to the optimization, scale-up, and market adoption of this technology. In this paper, a kinetic study and mathematical model for dissolving LIBBM is presented to better understand the underlying mechanisms aiming to reduce the processing time and make predictions for future design and scale-up. The effect of acid and electrochemically mediated reductant concentrations, LIBBM loading, and cathode/reactor designs were explored. As a result, the leaching time was reduced from 7h to under 1h at a pulp density of 73 g/L, without external heating. A novel reactor with parallel baffle electrodes (PBE) was developed, which significantly reduced the leaching time by improving convection in a stirred slurry electrochemical reactor. Dimensionless numbers were deduced from an unsteady state model, which can be used in dimensional analysis for future process design and scale-up.

25 ENERGY STORAGE↗

Exploring the design space of PV-plus-battery system configurations under evolving grid conditions

In this study, we explore how the energy and capacity values of coupled systems comprising solar photovoltaic arrays and battery storage (PV-plus-battery systems) could evolve over time based on the evolution of the bulk power system. Using a price-taker model with simulated hourly energy and capacity prices projected from the present to 2050, we simulate the revenue-maximizing dispatch of a range of DC-coupled PV-plus-battery configurations in three locations in the United States. These configurations are defined by the inverter loading ratio (ILR, the ratio of the PV array capacity to the inverter capacity, which we vary from 1.4 to 2.6) and the battery-inverter ratio (BIR, the ratio of the battery power capacity to the inverter capacity, which we vary from 0.25 to 1.0). Based on each configuration's total value, we estimate the breakeven costs needed to justify each incremental increase in ILR (holding BIR constant) or BIR (holding ILR constant). We find that, in a future with low-cost renewable energy technologies, PV-plus-battery system ILRs can be economically increased to around 2.0-2.4 at a BIR of 1.0, depending on solar resource. Our results indicate that a likely evolution of PV-plus-battery system design will be increasingly greater battery power capacity to mitigate the declining PV capacity value, which will, in turn, enable increasingly higher ILRs to further increase energy value. The extent to which PV-plus-systems will be deployed with increasingly higher ILRs depends primarily on whether PV cost declines outpace declining value and increasing curtailment over time.

14 SOLAR ENERGY↗

Impact of climate change on adaptive management decisions in the face of water scarcity

Reoccurring drought through the early 2000s has caused a serious water scarcity issue in the Colorado River Basin. Previous modeling studies have focused on the impact of climate change without considering the adaptive behaviors of farmers and under-utilized Indian water rights. Here, we use a coupled agent-based water resource model (ABM) to investigate how the adaptive decisions of farmers can affect water resource management under both climate change impacts and fully utilized Indian water right conditions. We used five General Circulation Model projections with RCP8.5 scenarios for the study. The results of farm-level decision-making showed different responses in irrigated areas that were changing due to climate change impact. While winter precipitation changes might partially explain the behavior changes, no specific pattern could be concluded based on their location. Also, farmers’ responses about annual water diversion showed more significant inter-year variation compared to irrigated areas. Basin-level metrics showed that climate change impacts will generally worsen water scarcity issues as measured in Navajo Reservoir storage, flow to Lake Powell, and instream flow requirement. But these basin-level water scarcity metrics cannot reflect individual farm-level impacts under climate change, which is why modeling the bottom-up management actions is necessary. When the under-utilized Indian water rights are fully used, it is more likely to trigger the shortage sharing agreement due to the higher tribal water depletion. Evaluation of model uncertainty and a more realistic setup for adaptive actions under drought contingency plans are suggested for future research.

54 ENVIRONMENTAL SCIENCES↗

Modeling and Optimizing Pumped Storage in a Multi-stage Large Scale Electricity Market under Portfolio Evolution

To leverage the fast-ramping capability of resources to provide great value to the grid, electricity system operators such as the Midcontinent Independent System Operator (MISO) continue to evolve their approaches for integrating energy storage resources, including pumpedstorage hydro (PSH), into the electricity markets. However, new challenges arise in modeling and optimizing these energy-limited resources across multiple market clearing processes and planning studies with uncertainties and imperfect information. For instance, current market practices of PSH owners specifying pumping/generating hours can result in sub-optimal generation dispatch. Letting grid operators optimize PSH with the consideration of multiple operating modes and energy limitation constraints can potentially bring economic benefits to both the system and the PSH owners. However, in multi-stage clearing process of electricity markets, utilizing the PSH flexibility to deal with realized uncertainties can cause deviation in the multi-stage scheduling processes. The resulting financial risks from the schedule deviation may not be acceptable to PSH owners. In addition, to effectively utilize this energy limited resource, the state of charge (SOC) constraints of PSH needs to be continuously optimized and the marginal cost of deviation need to reflect the expected cost to purchase or sell energy at future times to compensate for deviations. This project aims to develop a prototype enhanced PSH model and improved price signals in the multi-stage market clearing process with proper consideration of the unique characteristics of PSH, in order to better align underlying PSH capabilities with evolving grid needs, particularly including the needs for more frequent and larger cycling to manage variability and uncertainty from renewables.

24 POWER TRANSMISSION AND DISTRIBUTION↗

AquaPV: Regulatory and Environmental Considerations for Floating Photovoltaic Projects Located on Federally Controlled Reservoirs in the United States

To meet the nation's decarbonization goals, the U.S. Department of Energy's Solar Futures study forecasts that installed solar photovoltaic (PV) capacity must increase nearly tenfold, from 80 gigawatts (GW) in 2020 to approximately 760 GW cumulative installed capacity by 2035. Ground-mounted PV is expected to dominate future solar deployment and will require more than 3.5 million acres of land to meet annual demand projections (of nearly 45 GW) by 2030. However, various competing demands for land (e.g., agricultural production, conservation) and high land acquisition costs in specific locations could be challenges to meeting future PV demand solely with ground-mounted PV deployment. Floating photovoltaics (FPV) may be an alternative in locations where ground-mounted PV is not feasible and aid in reaching the nation's PV deployment and decarbonization goals. FPV is a newer siting approach in which a PV array is affixed to a floating apparatus and sited on a water body like a reservoir behind a dam. FPV systems may be stand-alone or co-located at new or existing hydroelectric facilities or pumped storage hydropower (PSH) facility reservoirs. Co-located FPV systems may or may not be operationally paired and work in tandem with the hydroelectric or PSH facility. This report provides novel analysis to understand the opportunities and challenges associated with developing stand-alone and co-located FPV projects on reservoirs in the United States. Specifically, the report explores potential environmental and energy benefits and environmental impacts associated with the siting, construction, and operation of FPV projects. The report also identifies and analyzes U.S. federal- and state-issued permits and authorizations required by federal laws to understand the licensing pathways and regulatory requirements for FPV projects sited on reservoirs licensed by the Federal Energy Regulatory Commission and on powered and non-powered reservoirs owned by the Bureau of Reclamation or U.S. Army Corps of Engineers.

13 HYDRO ENERGY↗

Evaluation of Design Concepts for Collapsible Cryogenic Storage Vessels

Future long-duration missions to Mars using in situ resource production to obtain oxygen from the Martian atmosphere for use as a propellant or for life support will require long term oxygen storage facilities. This report describes preliminary analysis of design concepts for lightweight, collapsible liquid oxygen storage tanks to be used on the surface of Mars. With storage at relatively low pressures, an inflatable tank concept in which the cryogen is stored within a fiber-reinforced Teflon FEP bladder is an efficient approach. The technology required for such a tank is well-developed through similar previous applications in positive expulsion bladders for zero-g liquid fuel rocket tanks and inflatable space habitat technology, though the liquid oxygen environment presents unique challenges. The weight of the proposed structure is largely dominated by the support structure needed to hold the tank off the ground and permit a vacuum insulation space to be maintained around the tank. In addition to the inflatable tank concept, telescoping tank concepts are studied. For a telescoping tank, the greatest difficulty is in making effective joints and seals. The use of shape memory alloy to produce a passive clamping ring is evaluated. Although the telescoping tank concepts are a viable option, it appears that inflatable tank concepts will be more efficient and are recommended.

Fleming, David C.↗