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DOE OSTI2024

Software Quality Assurance Plan ANSYS LSDYNA Version 2023R1

ANSYS Inc. develops and markets engineering simulation software and services used in the aerospace, automotive, manufacturing, electronics, biomedical, energy, defense, and many other industries. ANSYS is dedicated to engineering simulation and is the world’s leading software provider. ANSYS was founded in 1970 and is headquartered in Canonsburg, Pennsylvania. ANSYS provides an engineering analysis tool combining structural, thermal, computational fluid dynamics, acoustic and electromagnetic simulation capabilities. ANSYS LS-DYNA is the most used explicit simulation program capable of simulating the response of materials to short periods of severe loading. Its many elements, contact formulations, material models, and other controls can be used to simulate complex models with control over all the details of the problem. ANSYS LS-DYNA has a vast array of capabilities to simulate extreme deformation problems using its explicit solver. Engineers can tackle simulations involving material failure and look at how the failure progresses through a part or through a system. Models with large amounts of parts or surfaces interacting with each other are also easily handled, and the interactions and load passing between complex behaviors are modeled accurately. Using computers with higher numbers of CPU cores can drastically reduce solution times. In addition, many consulting firms and hundreds of universities use ANSYS for analysis, research, and educational purposes. ANSYS is recognized worldwide as one of the most widely used and capable programs of its type. ANSYS has successfully passed over 100 customer quality system audits against American Society of Mechanical Engineers (ASME) NQA-1 and 10 CFR Part 50, Appendix B, since the company was founded, over 60 of which have been since 1997. ANSYS has successfully passed over 100 International Organization for Standardization (ISO) 9001 assessments. ANSYS design analysis software is the first created within a quality system with ISO 9001 certification, which is the internationally accepted quality standard. Product development, testing, maintenance, and support processes also meet the US Nuclear Regulatory Commission’s (NRC’s) quality requirements, as they have for nearly four decades. ANSYS staff perform more than 60,000 software verification tests before releasing each new product. ASME NQA-1-2012 (Subpart 2.7 is specific to software) is the industry- and NRC-accepted approach (consensus standard) for meeting 10 CFR Part 50, Appendix B, requirements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Vacuum commissioning and operation result after the KSTAR PFC upgrade

The first vacuum commissioning after the installation of new tungsten mono-block cassette divertor has been successfully conducted in KSTAR. The tungsten divertor has been installed in the lower divertor region to handle the high divertor heat loads up to 10 MW/m 2 . On the one hand, the plasma facing components except for the tungsten divertor in the KSTAR vacuum vessel still consists of graphite tiles. Thus, it was much more challenging to maintain high-quality vacuum condition mainly because of various possible impurity sources inside the vessel compared with previous experiment campaigns. In this paper, the detailed procedure for securing vacuum condition of the KSTAR tokamak after the installation of the new tungsten divertor is presented. The vacuum condition is also examined regarding the plasma start-up and the long-pulse high-performance quality.

KSTAR↗

DOE OSTI2025

Mapping wall-to-wall fractional cover of Arctic tundra plant functional types in Alaska using 20-m spatial resolution satellite imagery and harmonized plot observations

Estimates of fractional cover (fCover) across given land surfaces are used to assess, and often model, vegetation composition and diversity, which are crucial for understanding the health and functioning of terrestrial ecosystems. Remote sensing provides a useful means for scaling local, plot-measured fCover estimates to regional scales. Leveraging a recently synthesized and harmonized plot database, this study generated wall-to-wall maps of fCover for six Alaskan-Arctic plant functional types (PFT), including non-vascular plants, forbs, graminoids, and deciduous and evergreen shrubs, using 20-m satellite data (Sentinel-1, Sentinel-2, ArcticDEM) using a machine learning regression approach, specifically the random forest (RF) algorithm, which is well-suited for handling nonlinear relationships and high-dimensional satellite datasets. This study additionally addressed the spatio-temporal inconsistencies e.g., sampling scale, plot size, and collection year in plot measured fCover by adopting a multivariate outlier detection approach—Cook’s distance—to identify high-quality plots for model training and validation. Our approach achieves high accuracy (R 2 = 0.59–0.93, root mean squared errors = 0.02–0.10 for all PFTs) between plot-observed and satellite-derived fCover when using high-quality plot samples. The mapped fCover characterizes the spatial patterns of different PFTs across the tundra biome at a 20-m resolution, providing key information needed for improved representation of Arctic tundra vegetation in terrestrial biosphere models to better understand climate-vegetation feedback across the Arctic tundra.

Arctic tundra↗

DOE OSTI2021

Crowdsourcing biocuration: The Community Assessment of Community Annotation with Ontologies (CACAO)

Experimental data about gene functions curated from the primary literature have enormous value for research scientists in understanding biology. Using the Gene Ontology (GO), manual curation by experts has provided an important resource for studying gene function, especially within model organisms. Unprecedented expansion of the scientific literature and validation of the predicted proteins have increased both data value and the challenges of keeping pace. Capturing literature-based functional annotations is limited by the ability of biocurators to handle the massive and rapidly growing scientific literature. Within the community-oriented wiki framework for GO annotation called the Gene Ontology Normal Usage Tracking System (GONUTS), we describe an approach to expand biocuration through crowdsourcing with undergraduates. This multiplies the number of high-quality annotations in international databases, enriches our coverage of the literature on normal gene function, and pushes the field in new directions. From an intercollegiate competition judged by experienced biocurators, Community Assessment of Community Annotation with Ontologies (CACAO), we have contributed nearly 5,000 literature-based annotations. Many of those annotations are to organisms not currently well-represented within GO. Over a 10-year history, our community contributors have spurred changes to the ontology not traditionally covered by professional biocurators. The CACAO principle of relying on community members to participate in and shape the future of biocuration in GO is a powerful and scalable model used to promote the scientific enterprise. It also provides undergraduate students with a unique and enriching introduction to critical reading of primary literature and acquisition of marketable skills.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Hardening DOE R&D Software Tools for Web-based Visualization SBIR Phase I Final Report

Ubiquitous web-based visualization is essential to delivering large-scale data visualization to various stakeholders, from the scientist to the board member. These stakeholders will not tolerate a stalled application or a pop-up window asking them to wait for the processing to complete. They require a responsive and interactive visualization environment with high-quality imagery suitable for detailed analysis and boardroom presentations. At Kitware, Inc., we have accomplished web visualization to this point, leveraging state-of-the-art tools like HTML5, CSS3, SVG, Canvas, and WebGL. Solutions that leverage a combination of these technologies are necessary to handle workloads that vary significantly in data size efficiently. However, it is not always practical to move large data to the web client for visualization. Kitware's ParaView as a Service combines client-side visualization using both distributed processing and remote rendering on big data impractical to move. Existing distributed processing and remote rendering solution's interactivity is below the expectations of web-based applications. Our project examined proposed solutions to the areas outlined above in ParaView as a Service. We have investigated concurrent pipelines, streaming images, progressive rendering, and optimization of algorithms and data movement to address these concerns. For the Phase I project, we completed the proposed work plan. As a result, the project produced three prototypes of essential importance for web visualization and the ParaView as a Service community. We created a simple desktop application for an interactive streamline placement prototype, a web-based interactive streamline placement prototype, and a web-based progressive rendering utilizing raytracing prototype. These prototypes relied on the hardening of emerging software toolkits funded by the Department of Energy (DOE) Advanced Scientific Computing Research (ASCR) program (such as ParaView, VTK-m, and Mochi). We blended these components into web-based visualization prototypes that meet the industry's expectations for interactivity and responsiveness. The Phase I project had four essential focus areas: 1. Develop prototype ParaView as a Service backend server using asynchronous, non-blocking design principles. 2. Develop a prototype web application that uses the ParaView as a Service backend server for remote data visualization. 3. Implement image streaming with encoding/compression and progressive rendering capabilities in the proposed platform. 4. Evaluate the prototype developed and summarize observations, including the challenges and pitfalls of our approach. After our successful completion of Phase I, we are strongly positioned to propose a successful Phase II project.

Geveci, Berk↗

DOE OSTI2023

Integrated Process Optimization for Biochemical Conversion

This research is motivated by the challenges faced during biomass processing in bioenergy plants. It has been observed that variations in biomass characteristics, such as moisture, ash, and carbohydrate contents cause variations in feeding of the system which led to underutilization of equipment and the reactor. The objective of this research is to ensure a continuous flow of biomass to the reactor in plants that use the biochemical conversion process to generate liquid fuels. The overall goal is to lower the cost of producing biofuels, which could lead to improving US’s energy independency and growing US’s rural economy. The research team developed analytical models, such as discrete element method (DEM) models and mathematical models. The DEM models are unit-level models that explicitly capture biomass characteristics and quantify the impacts of biomass characteristics on bulk material properties and the performance of specific equipment. The mathematical models are system-level models that capture the impacts of system infeed rate, equipment processing rate, storage location and capacity, and biomass characteristics on system throughput. The functional relations predicting the bulk material properties from DEM models are incorporated to the mathematical models. The models developed were validated and evaluated using data collected at Idaho National Laboratory’s biomass processing facility. Via these models, we identified process control strategies that ensure a continuous flow of biomass to the reactor, while meeting the requirements of biochemical conversion process. Our analysis indicates that sequencing of biomass bales based on moisture level, and carbohydrate contents could have a positive impact on reducing processing time and inventory level and increasing throughput rate. Short bale sequences that repeat frequently, seem to have the greatest impact on improving system’s performance. Based on our experiments, the total annual system operating costs reduced by 20-30%, and the maximum inventory level reduced by 3 to 4 times. The operating costs include the annual equipment amortization cost and processing cost. The implementation of the models developed requires the use of standardized bale format, Radio Frequency Identification technology, sensing and real time monitoring of material attributes, automated material handling equipment, and automated process control. The scope of the model proposed can be extended to include the whole supply chain. The supply chain models help identify how many bales of different biomass feedstock to purchase given biomass availability in the region, biomass price and quality, and the biomass processing capabilities of the biorefinery. Thus, the outcomes of supply chain models can be used to inform the design of long-term contracts among farmers and the biorefinery.

09 BIOMASS FUELS↗

DOE OSTI2024

Hydrogen Sustainable Infrastructure Guidelines (H2SIG)

Infrastructure interacts with major global challenges inclusive of climate change, resilience, equity and social justice, environmental protection and biodiversity, public health, and economic recovery. This effort directly addresses how to apply sustainability assessments to the unique aspects of hydrogen (H2) infrastructure projects using the Envision® sustainability framework developed by the Institute for Sustainable Infrastructure (ISI). Envision is a flexible system of criteria and performance objectives to aid decision makers and help project teams identify sustainable approaches during planning, design and construction of infrastructure projects that will continue throughout the project’s operations, maintenance, and end-of-life phases. The goal of this work is to support those interested in conducting sustainability assessments for hydrogen infrastructure projects. Through this work the team has developed hydrogen-specific guidelines and best practices to assist project developers, investors and regulators in straightforward application of the Envision framework to systematically enhance clarity and increase objectivity across hydrogen projects. Subject matter experts from 20 different organizations (industry, non-profits, municipalities, emissions regulators, national labs) were engaged through 7 focus groups to discuss the H2-prioritized Envision requirements and elements to be included in the guidelines. In addition to these guidelines, the team conducted case studies as a way of demonstrating and informing the guidelines and providing examples or ideas for implementing sustainability in future projects. Through this study, the authors found that hydrogen infrastructure projects can incorporate many sustainable practices including reducing GHG emissions affecting climate change, reducing air pollutant emissions affecting the health of communities, synergistically handling waste byproducts, integrating into existing infrastructure, incorporating renewable energy, and addressing equity and environmental justice. Additionally, hydrogen infrastructure projects could benefit from 2-way communication engagement and collaborative planning with stakeholders, educational awareness of hydrogen technology, tracking and reporting on water use and water quality, and including monetized environmental and social benefits in life-cycle cost estimates. This document is the final technical report for the Hydrogen Sustainability Assessment Methods for Project Development project. While the main focus of the report is to provide guidelines for applying sustainability to hydrogen infrastructure, there are sections within the appendix providing completed project tasks and methodology.

08 HYDROGEN↗

DOE OSTI2021

Connected Loads – Grid Connected Appliances: Commercial Refrigeration System Fault Detection and Diagnostics

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Connected Loads – Grid Connected Appliances: Deployment IoT Solution for Fault Detection and Diagnostics

As one of the most energy-intensive end-uses in the commercial buildings sector, supermarkets consume around 50 kWh/ft 2 ( or 537.6 kWh/m 2 ) of electricity annually, or more than 2 million kWh of electricity per year for a typical store. The biggest consumer of energy in a supermarket is its refrigeration system, which accounts for 40–60% of its total electricity usage and is equivalent to about 2–3% of the total energy consumed by commercial buildings in United States, or around 0.5 quadrillion Btu (or 0.53 quadrillion KJ). Also, the supermarket refrigeration system is one of the biggest consumers of refrigerants. Current supermarket refrigeration systems rely on high global warming potential hydrofluorocarbon refrigerants. Reducing refrigerant usage or using environment friendly alternatives can result in significant climate benefits. Transcritical CO2 refrigeration systems have attracted more attention in recent years because of their zero-carbon emission advantages compared with traditional refrigerants. These systems are widely used in commercial buildings such as supermarkets. The refrigeration system can also be adapted to handle flexible building loads and be integrated into grid response transactive control to balance the supply and demand of the electric grid. Even minor improvements in the efficiency and operational reliability of supermarket refrigeration systems can create significant value in terms of saving energy, improving food quality, protecting the environment, reducing carbon footprint, and enhancing electric grid resilience. For decarbonization, the new administration has set a target to reduce greenhouse gas emissions by 50– 52% by 2030 and targeting a carbon-neutral economy by 2050. For electrification, the goal is to achieve 100% clean electricity by 2035. Such decarbonization and electrification in the building sector require that energy consumption in buildings be reduced significantly. Therefore, the building sector must continuously adopt new technologies to achieve its energy and carbon emission goals. One of the most fundamental technologies is the Internet of Things (IoT). IoT has proven to be an effective solution for the building domain, including building information/energy modeling, smart buildings, etc. Although much progress has been made in the development of IoT-based building energy systems, there is still a lack of reliable, scalable, and affordable IoT-based automated fault and degradation diagnostics (AFDDs) solutions. Such solutions would enable deployment of advanced algorithms into real systems to archive the projected energy benefits. This study reviews existing IoT solutions developed for building energy– related application and developed a simple but effective AFDD IoT deployment solution, including developing a suitable IoT architecture and conducting easy and scalable deployment by leveraging a common cloud-based IoT service.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Unraveling the Noise: An Investigation Plan for Signal Interference in Hearing Aids

Bluetooth Low Energy (BLE) has revolutionized the performance of hearing aids with functionalities like seamless audio streaming and enhanced auditory functions. However, BLE operates within the highly congested 2.4 GHz frequency band, making it susceptible to signal interference that can degrade performance, reduce audio quality, and impact user experience. This paper documents interference patterns in BLE communication and introduces practical mitigation techniques aimed at improving the reliability of hearing aids. Attack vectors associated with Bluetooth enabled hearing aids include communication jamming, the interception of data between target devices, and GATT handle exploitation. Attackers could also use the vulnerabilities to block communications or intercept sensitive audio streams, posing significant security and privacy risks. These threats compromise two critical components of the CIA triad: (1) availability, by causing persistent connectivity issues, and (2) integrity, by enabling unauthorized data modifications. It is necessary to deal with these problems to ensure hearing aids work well and safely. This study investigates the impact of BLE signal interference on hearing aids, using tools such as HackRF [1], a Python tool to simulate interference scenarios, and Ubertooth [2] to sniff Bluetooth traffic between hearing aids and the device with the application. This paper investigates testing of BLE traffic in search of specific interference patterns that would impact the functionality of hearing aids, including jamming and flooding. This research focuses on developing robust mitigation techniques with the aim of securing BLE-enabled hearing aids against those vulnerabilities.

Baldwin, David [Savannah River National Laboratory↗

DOE OSTI2023

Deploying Automation Technology Supporting Packaging and Transportation Operations

Various United States Department of Energy (DOE) sites are investigating the deployment of robotics to provide safer, effective, and more efficient operations. By implementing robotics in packaging and transportation operations, improvements toward production efficiency, worker ergonomics, radiological dose reduction, and security assurance can be realized. Robotic Systems must be designed and implemented in concert with a facility’s safety basis, classification, and security constraints, while improving overall operational effectiveness. The desired robotic implementation should provide a path to potential long-term cost savings, reduce/eliminate hazardous conditions and radiological exposure, while improving quality and reliability of an operation process. The Savannah River Site (SRS), a DOE Site located in Aiken South Carolina, has initiated several large scale projects supporting future nuclear material disposition activities. Incorporation of automation and robotic equipment in system designs will support effective and efficient material handling operations, including container movements and packaging activities. Robotic systems will execute tasks that are precise, procedural and integrated with control systems to verify and record data for material inventory and historical archiving. An overview of the current robotic system development to perform receipt inspection, packaging, storage and shipment preparation activities of designated Type A and B shipping packages will be presented.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Inpainting radar missing data regions with deep learning

Abstract. Missing and low-quality data regions are a frequent problem for weather radars. They stem from a variety of sources: beam blockage, instrument failure, near-ground blind zones, and many others. Filling in missing data regions is often useful for estimating local atmospheric properties and the application of high-level data processing schemes without the need for preprocessing and error-handling steps – feature detection and tracking, for instance. Interpolation schemes are typically used for this task, though they tend to produce unrealistically spatially smoothed results that are not representative of the atmospheric turbulence and variability that are usually resolved by weather radars. Recently, generative adversarial networks (GANs) have achieved impressive results in the area of photo inpainting. Here, they are demonstrated as a tool for infilling radar missing data regions. These neural networks are capable of extending large-scale cloud and precipitation features that border missing data regions into the regions while hallucinating plausible small-scale variability. In other words, they can inpaint missing data with accurate large-scale features and plausible local small-scale features. This method is demonstrated on a scanning C-band and vertically pointing Ka-band radar that were deployed as part of the Cloud Aerosol and Complex Terrain Interactions (CACTI) field campaign. Three missing data scenarios are explored: infilling low-level blind zones and short outage periods for the Ka-band radar and infilling beam blockage areas for the C-band radar. Two deep-learning-based approaches are tested, a convolutional neural network (CNN) and a GAN that optimize pixel-level error or combined pixel-level error and adversarial loss respectively. Both deep-learning approaches significantly outperform traditional inpainting schemes under several pixel-level and perceptual quality metrics.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Application of Manufacturing Quality Management Principles to PV System Installations

To help SETO/DOE achieve its goals, the IBTS team proposed a project addressing system reliability by improving installation standards and quality management. The proposed approach was designed to help achieve measurable reductions in installation defect density and improvements in the performance of PV systems by optimizing design and installation of residential and commercial PV systems. This approach addressed the soft costs associated with installations and quality management. The project demonstrated improved system reliability and reduced PV system installation costs. The software developed improved operations, decreased risk, and increased the overall value of PV systems across their lifecycle. The project used several data collection methods, including extensive industry surveys, face-to-face high-level interviews at industry conferences, stakeholder teleconferences, and in-depth interviews conducted by IBTS staff. Results from the research found the industry needs a uniform assessment method for national providers to be more efficient; the software should support both code officials and installers; most industry stakeholders would find value in a centralized software system that allows them to collect, report, and review information on in-process and completed solar installations; and mobile solutions that bridge existing knowledge gaps with inspectors and integrate with existing methodologies (such as permitting software) are of great value. The software solution developed is web-based, allowing for national access, and is built on a Google Firebase platform that can handle significant users and data. It can be used onsite or remotely, allowing for code compliance to continue despite ongoing pandemic related delays or shutdowns for local economies. The information provided by the software tool allows users to uniformly assess a system for compliance and use that aggregated data to identify training topics or create internal process designed to improving issues and reducing occurrence. This solution has multiple benefits in managing quality at time of use and promoting an increase in future safety and quality through education. Perhaps most importantly, this software increases public safety by ensuring compliance of installed systems and allows for local AHJs to remotely engage specialized and qualified solar specific expertise for oversite of the installation in their jurisdictions. Data analysis provides the quality feedback loop identifying the root cause of failure and drives installation practices to improve through training and education, resulting in systems with higher performance, greater reliability, and reduced operations and maintenance costs. With the successful completion of this project, the industry can expect reduced soft costs and increased performance and safety and will ultimately benefit from longer performing systems that cost less to operate.

14 SOLAR ENERGY↗

DOE OSTI2025

Optimization-Based Dynamic Voltage Support of Microgrids Using Energy Storage Systems

A microgrid network is characterized by a high R/X ratio, making the voltage more sensitive to active power changes compared to bulk power systems, where the voltage is regulated primarily by reactive power. Due to its sensitivity, voltage control approaches for microgrids should also consider the active power input coupling, making it very different from conventional power systems. Additionally, as the energy costs associated with active and reactive powers are different and the operational conditions of microgrids connected to active distribution systems vary over time, the ideal controller to provide voltage support must be flexible enough to handle these technical and operational constraints. This paper proposes a model predictive control approach to provide dynamic voltage support using energy storage systems. This approach uses a simplified predictive model of the system to solve the model predictive control problem. By proper selection of model predictive control weighting parameters, the quality of service provided can be adjusted to achieve the desired performance. A simulation study in MATLAB/Simulink validates the proposed approach for the Cordova, Alaska microgrid. Results show that the performance of the voltage support can be adjusted depending on the choice of weight and constraints of the controller.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Air quality impacts from the development of unconventional oil and gas well pads: Air toxics and other volatile organic compounds

Unconventional oil and natural gas development (UOGD) has expanded rapidly across the United States in recent decades and raised concerns about associated air quality impacts. While significant effort has been made to quantify methane emissions, relatively few observations have been made of Volatile Organic Compounds (VOCs), especially during drilling and completion of new wells. Extensive air monitoring during development of several large, multi-well pads in Broomfield, Colorado, in the Denver-Julesburg Basin, provides a novel opportunity to examine changes in local air toxics and other VOC concentrations during well drilling and completions and production. These operations offer an especially useful case to study as several management practices were implemented to reduce emissions (e.g., electrified, grid-powered drill rigs and closed loop fluid handling systems to reduce truck traffic and limit fluid handling on the pad). With simultaneous measurements of methane and 50 VOCs from October 2018 to December 2022 at as many as 19 sites near well pads, in adjacent neighborhoods, and at a more distant reference location, we identify impacts from each phase of well development and production. Use of weekly, time-integrated canisters, a Proton Transfer Reaction Mass Spectrometer (PTR-MS), continuous photoionization detectors (PID) to trigger canister collection upon detection of VOC-rich plumes, and an instrumented vehicle, provided a powerful suite of measurements to characterize both transient plumes and longer-term changes in air quality. Prior to the start of well development, VOC gradients were small across Broomfield. Once drilling commenced, concentrations of oil and gas (O&G) related VOCs, including alkanes and aromatics, increased around active well pads. Concentration increases were clearly apparent during certain operations, including drilling, coil tubing/millout operations, and production tubing installation. Emissions of C 8 –C 10 n-alkanes during drilling operations highlighted the importance of VOC emissions from synthetic drilling mud chosen to reduce odor impacts. More than 90 samples were collected of transient plumes. Using composition measurements, meteorological data, and information about well pad activities, these plumes were connected with specific UOGD operations including drilling, flowback, and production equipment maintenance. The chemical signatures of these plumes differed by operation type (e.g., C 8 –C 10 n-alkanes constituted a larger fraction of measured VOCs in drilling-related plumes). Concentrations of individual, oil and gas-related VOCs in these plumes were often several orders of magnitude higher than in background air, with maximum ethane and benzene concentrations of 79,600 and 819 ppbv, respectively. Because these plumes typically impact a monitoring site for just several minutes, they are easily missed by slower-responding instruments. Study measurements highlight future emission mitigation opportunities during UOGD operations, including better control of emissions from shakers that separate drill cuttings from drilling mud, production separator maintenance operations, and periodic emptying of sand cans during flowback operations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Positive Role of Fluorine Impurity in Recovered LiNi 0.6 Co 0.2 Mn 0.2 O 2 Cathode Materials

Lithium-ion battery (LIB) recycling is considered as an important component to enable industry sustainability. A massive number of LIBs in portable electronics, electric vehicles, and grid storage will eventually end up as wastes, leading to serious economic and environmental problems. Hence, tremendous efforts have been made to improve the hydrometallurgical recycling process because it is the most promising option for handling end-of-life LIBs owing to its wide applicability, low cost, and high productivity. Despite these advantages, some extra elements (Al, Fe, C, F, and so forth) remain as impurities in the removal process and are retained in the solution, which is a great challenge to obtain high-quality cathode materials. In this work, the impacts caused by fluorine impurity on the LiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM622) cathode are intensively investigated via hydrometallurgical coprecipitation for the first time. Our results show that up to 1 at. % fluorine impurity brings a positive influence on the recovered material due to a higher Ni 2+ ratio on the surface of cathode particles. In addition, the presence of fluoride ions during coprecipitation could lead to the formation of holes in cathode particles, which improves the rate capability and cyclability dramatically. Compared to the virgin material, the capacity of the NCM622 material with 0.2 at. % fluorine impurity is boosted by ~8% (167.7 mA h/g) with a remarkable capacity retention of 98.0% after 100 cycles at 0.33 C. Besides, the cathode with 0.2 at. % fluorine impurity shows a far better rate performance, especially at high rates (~7% increased at 5 C) than that of virgin. Furthermore, these results convince that a low concentration of fluorine impurity is desirable in the hydrometallurgical recycling process. More importantly, this study offers implications in the design of high-performance NCM622 cathode materials via coprecipitation production with ion doping in the near future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

A Performant, Scalable Processing Pipeline for High‐Quality and FAIR Environmental Sensor Data

High-resolution environmental monitoring is necessary to record, understand, and predict biogeochemical and ecological changes particularly in coastal systems but brings significant challenges in processing and making rapidly available the resulting data. The COMPASS-FME project established a network of coastal observational sites across the Chesapeake Bay and western Lake Erie regions extensively instrumented with soil, vegetation, and weather sensors logging data every 15 min. Our data processing framework, written in R and completely open source, prioritizes rapid model-experiment iteration and makes biogeochemical data rapidly available for quality assurance/quality control, analysis, and model ingestion. This pipeline is distinguished by a standardized and modular approach to data curation, extensive metadata and documentation, and its high performance. These attributes combine to make biogeochemical data rapidly accessible across COMPASS-FME and the broader community. Flexible, powerful, and reproducible approaches to handling high-volume environmental data are crucial for accelerating biogeosciences research.

Pennington, Stephanie C. [Pacific Northwest Nation↗

DOE OSTI2026

PV Operations Software Transparency: A PVMAC Industry Snapshot

The rapid growth of photovoltaic (PV) deployment has increased reliance on software platforms for monitoring, workflow automation, diagnostics, and performance analytics. As these tools play a central role in asset management and operations and maintenance (O&M), greater transparency in methodologies, data handling, and validation practices benefits the broader PV ecosystem. To better understand current practices and identify opportunities for improved clarity and interoperability, 24 software providers contributed detailed responses through the PV O&M Analytics Collaborative (PVMAC) initiative, the first structured questionnaire of its kind in the industry, covering onboarding, interoperability, data quality, diagnostics, AI/ML, and other operational categories. These providers represent over 1.1 TW of solar assets under management. The analysis shows broad adoption of digital twins, AI/ML, and API integrations, but also highlights challenges in onboarding processes, inconsistent definitions and methodologies, variability in key performance indicator (KPI) calculations, and limited independent validation. Greater standardization, clearer documentation, and stronger validation frameworks could improve transparency, comparability, and trust across PV operations software platforms.

14 SOLAR ENERGY↗