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DOE OSTI2020

Development of the Underwater Disc Saw Used to Segment the Internals of Taiwan Research Reactor - 20038

Taiwan Research Reactor will be dismantled in the period of 2022 to 2027 according to the approved dismantling plan. Based on the sampling and analyzing results, some internals of Taiwan Research Reactor must be segmented under the water because of their higher radiation, and the calandria is one of them. To dismantle this calandria, Institute of Nuclear Energy Research develops an underwater disc saw that is driven by a hydraulic pump and will be used to segment the shell of the calandria. In this article, Taiwan Research Reactor and the structure of the calandria are briefly depicted, and the segmentation processes of this calandria and the design of this disc saw are also included. Besides, the trial of cutting the shell of the simplified full size calandria mockup is briefly demonstrated in this article. Further tests will be performed in the near future to figure out which parts or functions of this disc saw need to be modified to get better cutting performance. (authors)

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DOE OSTI2020

Development of the Mobile Systems for Conditioning of Disused Sealed Radioactive Sources in Serbia - 20105

Sealed radioactive sources (SRS) are being used worldwide in the field of medicine, agriculture, industry and research. They can be found in mobile as well as stationary devices. SRS contains radioactive material that is (a) permanently sealed in a capsule or (b) closely bounded and in a solid form. The capsule or material of an SRS should be strong enough to maintain leak tightness under the conditions of use and purpose for which the source was designed, also in case of accidents. In this case only emitted radiation is utilized. Firstly, the hazard from external radiation has to be considered, but the possibility of contamination due to fracture of the capsule should not be disregarded. The radioactive sources are composed of the radiating isotope contained in the filling medium, the single or double isotope holder that partially or totally surrounds the filling medium, the outer cover that contains the parts mentioned above and the capsule closed airtightly by welding or using some other method. The capsule must be tested for leakage periodically. If the SRS is no longer needed (e.g. replaced by a different technique) or it becomes useless for the intended application (e.g. the activity becomes too weak, the equipment containing the source works poorly or becomes obsolete, the source is damaged or leaking) it is considered disused. Disused sealed radioactive sources (DSRS) are typically conditioned and disposed if a facility is available. If the disposal option is not available, conditioned DSRS should be stored under proper conditions. In some cases, the radionuclide(s) in DSRS can be recovered/recycled or the DSRS can be repurposed for other applications. Conditioning of DSRS ensures containment of the radioactive material, provides confinement for leaking sources, provides sufficient radiation shielding, reduces storage/disposal volume by allowing consolidation of multiple sources into a single storage/disposal container, facilitates transport operations and contributes to safety and security as well. Typically, conditioning technologies are deployed either as permanently installed stationary systems in centralized or mobile on-site waste processing facilities, or in a mobile configuration. Centralized stationary facilities provide a single processing location for multiple users that requires transport of the waste to the facility. On the other hand, mobile systems may be provided for the selection and application of the optimum technology for a specific waste stream (such as DSRS) by bringing the process to the point where the waste is generated. In addition, mobile systems could offer additional flexibility by sharing equipment among multiple waste generating sites for processing campaigns that vary in duration, from very short periods to several years. The term 'mobile processing system' refers to any radioactive waste processing system or component which is designed to be transportable and which is not considered permanently installed. Two mobile system for conditioning of disused sealed radioactive sources are developed in the Public Company Nuclear Facilities of Serbia. Development of these mobile systems was supported by SRB9005 national project via Technical Cooperation of the IAEA. The first mobile system, built inside the 20 feet ISO container, will be used for conditioning of DSRS category 3 to 5. The second mobile system, built inside the 7 m long vehicle (Iveco Daily Van), will be used for dismantling of ionizing smoke detectors mostly with Am-241 sources. Designs of the mobile systems were defined in cooperation with two companies from Belgium (Belgoprocess and Leniko) and a Croatian company Ekoteh as well as with the support of the IAEA experts. The generic safety assessment and operational procedures for the mobile systems are developed. Based on safety assessment the acceptance criteria and operational limits and conditions are established. Operational procedures include: (a) equipment and material requirements, (b) assembling procedure of the mobile unit, (c) procedure for acceptance of devices for dismantling and conditioning, (d) dismantling procedure for devices to recover the DSRS, (e) characterization of DSRS, (f) encapsulation procedure of DSRS, (g) disassembling procedure of the mobile unit, and (h) keeping records, identification and traceability. In addition, radiation safety, health safety, security and emergency preparedness plans are prepared. The generic safety assessment and operational procedures could be updated with site specific requirements, DSRS inventory, and different needs for future customers. Developed mobile systems could be used in all situations when it is feasible to perform conditioning of DSRS on the spot in the county and worldwide. Development of these mobile units was just the first step to create the Reference Center for Radioactive Waste Treatment and Disused Radioactive Sources Conditioning for Small Facilities which can become a regional training center in the future, and/or as a tool for comprehensive national search and secure programmes. In the next phases development of e-learning platforms and blended learning packages as well as application for the IAEA Qualified Technical Centre (QTC) for the management of DSRS is foreseen. (authors)

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DOE OSTI2020

Artificial Intelligence a D and D Enabler - 20552

The paper addresses the development of a specific search engine dedicated to Decommissioning and Dismantling (D and D) projects. The solution combines advanced model based system engineering methodologies and a data centric approach. It is based on an appropriate use of the last Natural Language processing techniques, the most innovative artificial intelligence algorithms and open source framework to handle large volume and diversity of data met in the case of a nuclear infrastructure we have to dismantle. (authors)

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DOE OSTI2025

Sorting rare earth magnets motors for recycling without opening the motors

Abstract A novel approach for sorting electric motors without dismantling them is reported in this article. This approach increases the likelihood that a motor selected from a mixture for recycling would contain rare earth elements (REEs), which are pivotal for numerous advanced green technologies. The challenge of inadvertently dismantling motors without REEs during recycling is addressed by this proposed innovative method. It relies on cogging interactions and power density for sorting motors with REEs. The process uses an algorithm introduced in this work to sort motors in two steps by (a) distinguishing induction motors from permanent magnet motors, and (b) distinguishing motors with critical REEs (e.g., Nd, Pr, Dy, Tb) from ferrite-based motors, all without opening the motors. The former was accomplished with 100% accuracy while the latter was accomplished with ~ 78% accuracy. Such high accuracy improves the recycling efficiency of critical REEs from motors, alleviating concern about supply disruption and supporting resource conservation and sustainability.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Office of Nuclear Verification FY 2023 Quarterly Report TSVT Q1

This project encompasses the continued development and training of a U.S. operational team, the Test Site Verification Team (TSVT), supporting verification of nuclear testing activities. TSVT builds on decades of U.S. nuclear testing history and nuclear explosion monitoring experience. The Team maintains readiness to deploy internationally on short notice to provide field-based support of verification of declared or undeclared nuclear testing and associated activities, as well as follow-on activities including monitoring and capability disablement and dismantlement, as established by negotiated agreement or treaty. The roles and structure of the TSVT are integrated with other NA-243 deployable verification teams and the interagency. FY23 TSVT activities focus on continued capability buildup within the team, including Team trainings and exercises with a focus on missions in confined spaces (e.g., tunnels, mines, other underground facilities), increased familiarity with foreign nuclear weapons testing programs, demonstration of Team capacity to deploy, train, and practice sustained OPSEC in non-western locations, establishment of sustainable storage and maintenance of equipment, specification and procurement of additional equipment to support field observations, further evolution of concepts of operation documents (CONOPs), and mission coordination with Headquarters and associated Stakeholders. Activities will culminate with a full-scale domestic team exercise at the end of FY23 focusing on underground activities signatures/observations and safety including advanced outdoor safety and familiarity in working around explosive test environments. In addition, we will be further articulating approaches and capacity relevant to the identification of nuclear tests, as well as monitoring of nuclear testing activities and/or dismantlement of nuclear test sites and anticipate developing additional equipment requests in support of this evolution. The TSVT Team Leads will also coordinate with its Senior Advisor, the TSVT Logistics and Readiness (L&R) Training Lead, and NNSA Headquarters to draft a five-year TSVT training and exercise plan, that strategically and incrementally builds capacity and expertise in key areas of significance for the continuum of nuclear and nuclear-related testing activities that fall within the team’s mission space.

42 ENGINEERING↗

DOE OSTI2024

DECOVALEX-2023: Task D Final Report

Task D of DECOVALEX-2023 is focused on the simulation of the coupled thermal hydraulic-mechanical (THM) behaviour in the full-scale engineered barrier system (EBS). The Horonobe EBS experiment is the demonstration of the full-scale EBS in the underground research laboratory (URL) (performed by JAEA in the Horonobe URL in Japan). Task D consisted of the three steps, a preliminary step (Step 0), simulation of the laboratory tests (Step 1) and simulation of the in-situ full-scale EBS experiment (Step 2). Since the Horonobe EBS experiment demonstrates the vertical emplacement option of the EBS, the experiment gallery is also backfilled with the backfill material. Therefore, interaction between the EBS and the backfill material can also be demonstrated, such as deformation (change of density) of the buffer material. The underground water in the Horonobe URL is saline. This fact adds chemical processes to THM behaviour. For example, mechanical properties (such as swelling pressure of the buffer material and backfill material) and hydraulic properties (such as permeability of the buffer material and backfill material) change depending on the water chemistry. Task D was therefore a challenging Task focused on not only the relatively simple THM behaviour but also complex THM behaviour including chemical processes. Six research teams (BGR, CAS, JAEA, KAERI, SNL and Taipower) participated the Task D. BGR, CAS, JAEA, KAERI and Taipower research teams selected a THM approach, while the SNL research team selected a TH approach. Step 1 involved the simulation of laboratory test results and was important to check the numerical codes developed by the research teams. Step 1 was divided into four sub steps. The simulation results through the Step 1 identified the parameters for simulation of the Step 2. Basic parameters of the materials (buffer material, backfill material, rock mass, concrete, sand) were provided by JAEA. Special parameters which research team needed were identified by back analysis of Step 1. Most notably the mechanical behaviour of swelling and displacement depended on the applied model (elastic model or elastoplastic model). Parameters such as Young’s modulus were found to need smaller values than characterised in the fundamental laboratory test results (Step 1-1, 1-2) for the elastic model. Although laboratory experiments are usually simple, test results contained some error. For example, if the saturation level is 100 % or higher, it should be considered an error. This situation was presented in the Step 1-3. A possible reason is that the buffer material is a mixture of bentonite and silica sand. When a specimen is cut to measure volume or weight, sand grains will affect the measurement data. In Step 2, boundary conditions such as temperature on the surface of the simulated overpack, heater power of the electrical heaters installed in the simulated overpack, injection pressure and inflow rate of the test water, were applied. The outer boundary conditions can be selected using measured data (injection pressure and inflow rate of the test water that is controlled by the injection systems installed in the sand layer around the buffer material and in the boundary between backfill material and concrete support). Since such measured data has some noise, research teams developed their own simplified boundary conditions. Inner boundary conditions can be selected using measured data as heater power and temperature on the surface of the simulated overpack. These data also contain some noise, so research teams developed their own simplified developed boundary conditions. Task D validated various approaches thorough the simulation of the in-situ full scale EBS system including backfill of the gallery: variations in the coupling processes (THM or THC), analysis codes, and boundary conditions. Temperature distribution in the buffer material was simulated well by all research teams. This means thermal behaviour is not sensitive to the simulation approaches. Although the water content distribution on the outside of the buffer material was well simulated by all research teams, the simulation results differ from the measured values inside the buffer material (at the centre and inside, near the simulated overpack). The buffer material is made from tap water, but in the in-situ experiment, saline groundwater infiltrates the buffer material. Therefore, the selection of the hydraulic parameters of the buffer material greatly affects the simulation results of the re saturation behaviour of the buffer material. In the Horonobe EBS experiment, measured values suitable for validating the simulation results were not obtained near the simulated overpack. When simulating the pressure and deformation of the buffer material, the measurement data is easily affected by the installation conditions of the measurement sensors, so verifying the measurement data itself remains an issue. Mechanical simulation results differ depending on whether they are considered as elastic or elastoplastic phenomena. The accuracy of measured in-situ data can be assessed by detailed analysis comparing sampling specimen analysis and measured data. The Horonobe EBS experiment is scheduled to be dismantled in the future (FY2026 and 2027). This detailed dismantling investigation will finally confirm the measured data.

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NASA NTRS2012

Remediation Technologies Eliminate Contaminants

All research and development has a story behind it, says Jacqueline Quinn, environmental engineer at Kennedy Space Center. For Quinn, one such story begins with the Saturn 1B launch stand at Kennedy and ends with a unique solution to a challenging environmental problem. Used in a number of Apollo missions and during the Skylab program, the Saturn 1B launch stand was dismantled following the transition to the Space Shuttle Program and stored in an open field at Kennedy. Decades later, the Center s Environmental Program Office discovered evidence of chemicals called polychlorinated biphenyls (PCBs) in the field s soil. The findings were puzzling since PCBs a toxin classified as a probable carcinogen by the Environmental Protection Agency (EPA) have been banned in the United States since 1979. Before the ban, PCBs were commonly used in transformer oils that leached into the ground when the oils were changed out and dumped near transformer sites, but there were no electrical transformers near the dismantled stand. It soon became apparent that the source of the PCBs was the launch stand itself. Prior to the ban, PCBs were used extensively in paints to add elasticity and other desirable characteristics. The PCB-laden paint on the Saturn 1B launch stand was flaking off into the field s soil. Nobody knew there were PCBs in the paint, says Quinn, noting that the ingredient was not monitored carefully when it was in use in 1960s. In fact, she says, the U.S. EPA was not even established until 1970, a year after Neil Armstrong first set foot on the Moon. Nobody knew any better at the time, Quinn says, but today, we have the responsibility to return any natural environmental media to as close to pristine a condition as possible. Quinn, fellow engineer Kathleen Loftin, and other Kennedy colleagues already had experience developing unprecedented solutions for environmental contamination; the team invented the emulsified zero-valent iron (EZVI) technology to safely treat groundwater tainted by chlorinated solvents once used to clean rocket engine components. The award-winning innovation (Spinoff 2010) is now NASA s most licensed technology to date. PCBs in paint presented a new challenge. Removing the launch stand for recycling proved a difficult operation; the toxic paint had to be fully stripped from the steel structure, a lengthy and costly process that required the stripped paint to be treated before disposal. Noting the lack of efficient, environmentally friendly options for dealing with PCBs, Quinn and her colleagues developed the Activated Metal Treatment System (AMTS). AMTS is a paste consisting of a solvent solution containing microscale particles of activated zero-valent metal. When applied to a painted surface, the paste extracts and degrades the PCBs into benign byproducts while leaving the paint on the structure. This provides a superior alternative to other methods for PCB remediation, such as stripping the paint or incinerating the structure, which prevents reuse and can release volatized PCBs into the air. Since its development, AMTS has proven to be a valuable solution for removing PCBs from paint, caulking, and various insulation and filler materials in older buildings, naval ships, and former munitions facilities where the presence of PCBs interferes with methods for removing trace explosive materials. Miles of potentially toxic caulking join sections of runways at airports. Any of these materials installed before 1979 potentially contain PCBs, Quinn says. "This is not just a NASA problem," she says. "It s a global problem."

Source record↗

DOE OSTI2020

Panel Session 4 and 15: Japan Fukushima Daiichi D and D Update and Technological Challenges at Japan Fukushima Daiichi D and D and Update on Nuclear Overview and Development in Japan - Nuclear Fuel Cycle

Sessions 4 and 15 represent a two-part panel series that discusses progress and challenges associated with cleanup at Fukushima. Severe limitations on availability of original panelists from Japan due to strict restrictions put in place to alleviate the spread of coronavirus necessitated changes to both panels. The result was a significantly modified panel for Session 04 (shown above) and the elimination of all panelists for Session 15. The 4 and 15 Panel Sessions provide an overview of activities related to both the progress and challenges of cleanup and decommissioning of the Fukushima Daiichi Nuclear Power Station (NPS) in Japan. Five panelists discussed perspectives of the cleanup following a Tokyo Electric Power Company (TEPCO) video showing the progress on site since the devastating Great East Earthquake and tsunami that caused the explosions at three of the six reactors on the site. Three of the five panelists discussed on-going work being performed for the effort, while the other two provided expert perspectives of on strategic efforts at the site. The panel was attended by over 80 technologists and policy makers spanning the globe and was opened by Dr. Monica Regalbuto of Idaho National Laboratory and a short video provided by TEPCO. The video described changes at the site that spanned the cleanup efforts from stabilizing water intrusion into the contaminated reactor buildings to construction of new administrative facilities. The video explained the processes underway to retrieve spent fuel rods and challenges in retrieval of the compromised fuel debris. The video highlighted working condition improvements that included establishment of rest housing and a small convenience store on the site, and the rollback of protective equipment around the site due to decreases contamination. Panelists with presentations: Revision of 'the Mid-and-Long-Term Road-map towards the Decommissioning of TEPCO's Fukushima Daiichi Nuclear Power Station' (Paul Dickman); Sharing UK experience at Fukushima Daiichi (Adrian Simper); SRNL Japan (Andrew Fellinger); ABLE's Initiative to Dismantle the Exhaust Stack (Daniel Walter); JAEA R and D in Fukushima (Tokio Fukahori); TEPCO - Overview and Update of the Fukushima Decommissioning Process (Monica Regalbuto); Toshiba's Involvement in the Decommissioning of the Fukushima Daiichi Nuclear Power Plant (Yasuhiro Yuguchi); Remote Dismantling of the Exhaust Stack At Fukushima Dai-ichi NPS (Takashi Okutsu)

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DOE OSTI2020

New Designed Containers for Activated ILW from NPP Decommissioning - 20208

The paper focuses on packaging of dismantled and fragmented reactor components into containers and their transport to their storage and/or disposal facility within the immediate dismantling strategy applied on decommissioning of nuclear power plant (NPP) finally shutdown after standard operation. The main purpose of the paper is to present the process of design, manufacture, testing and use of new transport and storage containers for activated intermediate level waste (ILW) from V1 NPP decommissioning at Jaslovske Bohunice site. Legislation conditions, container selection process, requirements on their design and manufacture, scope of associated licensing documentation and technical procedures applied up to their use on site are described in detail. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Development of a Regulatory Strategy for Post Operational Clean Out Activities at Sellafield Limited Nuclear Licensed Site - 20273

The Thermal Oxide Reprocessing Plant (THORP) at the Sellafield nuclear licensed site carried out its final commercial shear of spent nuclear fuel in November 2018, since when the facility has undergone rundown prior to cessation of operations. The Magnox Reprocessing Facility (MRF) is also due to cease operating, around the end of 2020. Following the cessation of spent fuel reprocessing, the facilities and supporting infrastructure will transition into Post Operational Clean Out (POCO), which will become an increasingly significant portion of Sellafield Limited's (SL) activities. POCO is defined as the set of activities undertaken directly after a nuclear facility comes to the end of its operational life, in order to place the plant in a suitable state for the subsequent decommissioning steps. The decommissioning strategy at SL is for deferred dismantling of these facilities, which will be subject to a period of Surveillance and Maintenance (S and M) following completion of POCO. This paper outlines the development and implementation of a regulatory strategy for POCO activities at the Sellafield site by the Office for Nuclear Regulation (ONR), the independent nuclear safety, transport and security regulator in the United Kingdom. The paper also describes how this regulatory strategy is applied to nuclear installations undergoing transition into POCO and subsequent decommissioning. ONR works jointly with the Environment Agency, as the environmental regulators in England, to ensure that matters relevant to them have been duly considered. In developing a regulatory strategy, ONR has taken a site-wide approach, moving away from regulation on a facility-by-facility basis, to promote consistency, as well as maximising efficiency and effectiveness. The aim of this integrated approach was to prevent complications during future decommissioning and dismantling that have been experienced previously at similar facilities in France. The strategy recognised that once reprocessing operations are concluded, the hazard present will be reduced significantly, which provides the opportunity for ONR to consider how best to deliver a proportionate approach to regulatory interventions. Once POCO has been completed and the facility has transitioned into a period of S and M, the scale and frequency of ONR's interventions will reduce, commensurate with the safety case covering the remaining hazard and activities associated with maintaining the facility prior to final decommissioning. This approach allows ONR to consider risks holistically, considering the full life cycle of the facility and by taking due account of the interdependencies between facilities across the site. The strategy also aligns with existing regulation of high hazard and risk reduction activities, which remain ONR's top priority. As SL progresses with POCO activities in THORP and across the rest of the site, ONR will review its regulatory strategy to ensure that the intended safety benefits are realised. (authors)

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DOE OSTI2020

Machine Vision-based Robot Manipulators for Nuclear Applications - 20370

Decommissioning and dismantling of nuclear facilities are major challenges facing the nuclear industry. Robot manipulators with capabilities of restoring nuclear structures and significantly prolonging nuclear power generation in addition to their applications in decommissioning and dismantling (D and D) would immensely ease the above-mentioned challenge. Ability to remotely sense/monitor and analyze dangerous and hazardous environments such as nuclear reactors as well as performing reparatory tasks in such environments using robot manipulators require additional information from vision sensors. Structural sample collection and inspection as well as restoration require object and position information. Computer vision is used to obtain precise 3D position information. The current work uses the Sawyer robot with the integrated Cognex camera. The research presents an approach to facilitate and improve operations in a nuclear reactor using robotic vision control. The vision control system is modeled with Augmented Image Space-based visual servoing approach. Results showing accurate robot control. Object recognition is used to recognize the image and calculate it poses. To transform coordinates of the object's pose from the camera frame to the robotic frame transformation matrices are employed. Future work will employ a 3D camera (with depth information) using Denso robot. (authors)

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DOE OSTI2025

Contaminant Investigation and Pre‐Processing Opportunities for Textile‐To‐Textile Recycling

Millions of metric tons of textiles are landfilled or incinerated each year in the United States, with less than 1% of textiles recycled into new clothing or fabrics. To counter this trend, a growing number of companies and researchers are exploring how a circular economy can be applied to support textile‐to‐textile recycling. A significant barrier they face comes down to quickly and efficiently extracting pure feedstock material from post‐consumer garments that feature a mix of natural and synthetic fibers. Textile recyclers prefer pure feedstocks, as working with mixed sources typically means lower throughput, higher risk of equipment failure, and diminished business margins. To facilitate a circular economy for textiles, methods, and technologies are needed that can efficiently separate out materials and contaminants from end‐of‐life textiles to increase the flow of pure feedstocks to recyclers. This paper summarizes findings from interviews with a cross section of textile recyclers and from a review of literature to define basic feedstock requirements. In addition to our qualitative research, we deconstruct a bale of post‐consumer textiles and analyze them using computer‐vision imaging, Fourier transform infrared spectroscopy (FTIR), and machine learning. The resulting data are used to set system‐level design inputs for an automated contaminant removal system to process post‐consumer clothing into appropriate feedstocks for recycling. To set the system's levels for automated real‐time near‐infrared analysis, we identify the minimum percentage of primary material that any single garment in a load of used clothing must contain for the average of the full output stream to meet the target purity levels of recyclers. Here, the envisioned automated system can also address undesirable trace materials that might contaminate the processed stream by using imaging cameras coupled with artificial intelligence to identify sections of clothing for de‐trimming. Proof‐of‐concept machine learning algorithms are evaluated to locate and identify trims or garment areas with hidden contaminant materials. Integrating these methods into automated textile cutting systems can provide a cost‐effective means for increasing feedstock purity from used clothing, which can advance circularity for textiles by helping recyclers to reach production volumes and quality targets that were not possible solely with manual dismantling operations.

Parsons, Ryan [Rochester Institute of Technology, ↗

DOE OSTI2022

Hydro-mechanical behavior of heated bentonite buffer for geologic disposal of high-level radioactive waste: A bench-scale X-ray computed tomography investigation

The behavior of heated bentonite buffer is critical for the security and long-term performance of a geological repository for high-level radioactive waste (HLW). While laboratory column experiments have been conducted to investigate compacted bentonite and coupled THMC (thermal-hydro-mechanical and chemical) processes for a moderate temperature range of up to 100 °C, data for a higher temperature range are limited. Understanding bentonite behavior and coupled THMC processes under higher temperatures (e.g., up to 200 °C) could allow for a more economic repository design and would expand the data and knowledge base for more reliable modeling. In this study, a bench-scale experiment was conducted in a compacted bentonite column experiencing both heating up to 200 °C in the center and hydration from a sand-clay boundary surrounding the column. During the experiment run for 1.5 years, frequent X-ray computed tomography (CT) scanning of bentonite provided insights into the spatiotemporal evolution of (1) hydration/dehydration, (2) clay swelling/shrinkage, (3) displacement, and (4) mineral precipitation. After the experiment, a comprehensive post-dismantling characterization of bentonite samples was conducted. Results showed that the bentonite hydration was axi-symmetrical despite the initial heterogeneity due to packing, confirming the ability of bentonite to seal fast flow/transport paths. Further, compared to a non-heated control experiment, the heated column showed greater CT density variations along the radial distance, indicating that homogenization of bentonite might be more difficult if a temperature gradient is maintained in the repository. Precipitation of an anhydrite layer occurred in the inner hot zone, pointing to potential concerns about salt precipitation causing canister corrosion. Ultimately, the experiments provided a high-resolution window into the strongly dynamic and coupled behavior of bentonite exposed to heating, hydration and swelling, which will be valuable for improving modeling of coupled processes, especially for the early state of a HLW repository.

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DOE OSTI2025

Review on Preprocessing Strategies, Deactivation, Thermal Safety, and Future Perspectives in Lithium-Ion Battery Recycling

The rapid growth in the use of lithium-ion batteries (LIBs) in electric vehicles, consumer electronics, and renewable energy storage has made effective end-of-life management essential. Recycling LIBs is critical not only for resource recovery and environmental protection but also for ensuring safety and economic viability. This review focuses on the preprocessing technologies that precede typical recovery processes, including disassembly, sorting, discharging, electrolyte removal, dismantling, thermal treatment, separation, and flotation. These steps play a foundational role in determining the efficiency, safety, and environmental impact of LIB recycling. LIBs pose substantial fire and explosion risks due to residual charge, flammable electrolytes, and reactive materials. The conditions and successive progression of the exothermic reactions which lead to thermal runaway has been discussed. It also explores secure deactivation techniques such as external circuit discharge, saline immersion, and thermomechanical methods, alongside fire prevention strategies including the use of flame retardants, elimination of oxidants, and reduction of heat generation and accumulation. Challenges and future directions are outlined, highlighting the need for standardized designs, automation, and safer, more sustainable recycling infrastructure. Furthermore, this review is distinguished by its focused analysis of preprocessing and deactivation steps, with particular attention to the thermal safety engineering aspects of LIB recycling.

Battery deactivation↗

DOE OSTI2023

ReaLigands: A Ligand Library Cultivated from Experiment and Intended for Molecular Computational Catalyst Design

Computational catalyst design requires identification of a metal and ligand that together result in the desired reaction reactivity and/or selectivity. A major impediment to translating computational designs to experiments is evaluating ligands that are likely to be synthesized. Here we provide a solution to this impediment with our ReaLigands library that contains >30,000 monodentate, bidentate (didentate), tridentate, and larger ligands cultivated by dismantling experimentally reported crystal structures. Individual ligands from mononuclear crystal structures were identified using a modified depth-first search algorithm and charge was assigned using a machine learning model based on quantum-chemical calculated features. In the library ligands are sorted based on direct ligand-to-metal atomic connections and on denticity. Representative principal component analysis (PCA) and uniform manifold approximation and projection (UMAP) analyses were used to analyze several tridentate ligand categories, which revealed both the diversity of ligands and connections between ligand categories. Furthermore, we also demonstrated the utility of this library by implementing it with our building and optimization tools, which resulted in the very rapid generation of barriers for 750 bidentate ligands for Rh-hydride ethylene migratory insertion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Modulating Solvation Structure in Concentrated Aqueous Organic Redox Flow Battery Electrolyte for Solubility and Transport Enhancement via Polycomplex Ion

Aqueous organic redox flow batteries hold great promise as a technology for creating economical grid energy storage using sustainable materials. Nonetheless, the solubility limit presents a universal barrier for all redox-active organic molecules. In this paper, a new approach is proposed to surpass the solubility limit by manipulating the solvation structure with polycomplex ion additives (PIA). Using poly(3,4-ethylenedioxythiophene) polystyrenesulfonate colloids as one example, its role in dismantling the rigid supramolecular clusters within the highly concentrated 7,8-dihydroxyphenazine-2-sulfonic acid electrolyte is investigated. 1 H and 23 Na NMR spectra and molecular dynamics simulation studies demonstrate that the bipolar structure of the PIA effectively disrupts the aggregations of DHPS and Na + ion in the highly concentrated anolyte, thus rendering a more flexible solvation structure and less restrictive ion transport, leading to substantially improved battery performance of an AORFB cell. The anolyte with PIA achieved 1.6 M and 74.3 Ah L –1 anolyte energy capacity.

25 ENERGY STORAGE↗

DOE OSTI2020

Structure of the G protein chaperone and guanine nucleotide exchange factor Ric-8A bound to Gαi1

Abstract Ric-8A is a cytosolic Guanine Nucleotide exchange Factor (GEF) that activates heterotrimeric G protein alpha subunits (Gα) and serves as an essential Gα chaperone. Mechanisms by which Ric-8A catalyzes these activities, which are stimulated by Casein Kinase II phosphorylation, are unknown. We report the structure of the nanobody-stabilized complex of nucleotide-free Gα bound to phosphorylated Ric-8A at near atomic resolution by cryo-electron microscopy and X-ray crystallography. The mechanism of Ric-8A GEF activity differs considerably from that employed by G protein-coupled receptors at the plasma membrane. Ric-8A engages a specific conformation of Gα at multiple interfaces to form a complex that is stabilized by phosphorylation within a Ric-8A segment that connects two Gα binding sites. The C-terminus of Gα is ejected from its beta sheet core, thereby dismantling the GDP binding site. Ric-8A binds to the exposed Gα beta sheet and switch II to stabilize the nucleotide-free state of Gα.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Verification of Arms Control Treaties with Resonance Phenomena

Nuclear disarmament treaties remain insufficient to neutralize the existential threat of the nuclear weapons. Technologies are necessary for verifying the authenticity of the nuclear warheads undergoing dismantlement before counting them toward a treaty partner’s obligation. Here we present a review of concepts involving isotope-specific resonance processes, Nuclear Resonance Fluorescence (NRF) [1] and Neutron Resonance Transmission Analysis (NRTA) [2, 3], used to authenticate a warhead’s fissile components by comparing them to a previously authenticated template. All information is encrypted in the physical domain by the addition of an encrypting filter to the target, leading to measurements with an outcome similar to an equation with two unknowns. Using Monte Carlo simulations and experiments we show that the measurements readily detect hoaxing attempt, while no vital isotopic or geometric information about the weapon is released. These nuclear techniques can be used to dramatically increase the reach and trustworthiness of future nuclear disarmament treaties.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗