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ComStock™ 2024 Release 1 [SWR-19-33 and SWR-20-32]

ComStock™ is an NREL model of the U.S. commercial building stock. The model takes some building characteristics from the U.S. Department of Energy's (DOE's) Commercial Prototype Building Models and Commercial Reference Building. However, unlike many other building stock models, ComStock also combines these with a variety of additional public- and private-sector data sets. Collectively, this information provides high-fidelity building stock representation with a realistic diversity of building characteristics. This repository contains the source code used to build and execute ComStock models, including upgrade scenarios. In addition, the sampling of buildings characteristics used for the initial ComStock (V1.0) release is provided. The ComStock model is under active calibration and development, which is publicly visible on this repository. Execution of the ComStock workflow is managed through the buildstockbatch repository, a shared asset of ResStock™ and ComStock™ , specifically developed to scale to execution of tens of millions of simulations through multiple infrastructure providers. The dataset output from the initial ComStock (V1.0) release can be found at the accompanying ComStock data viewer website and additional information about ComStock found on the NREL Buildings Website. For more details about ongoing model development please consult the End Use Load Profiles website. ComStock is a direct result of the NREL residential stock modeling tool ResStock™ (recipient of a R&D100 award) and was inspired by the high-fidelity solar & storage adoption model dGen™. Additionally, this tool would not be possible without the decades of work undertaken by the OpenStudio® and EnergyPlus® visionaries and contributors, significant funding, feedback and support from the Los Angeles Department of Water and Power, and the Department of Energy's Building Technology Office ongoing support of and investment in building energy modeling software. is an analytic methodology for modeling the energy usage of the commercial building stock within the United States of America. The commercial building stock is represented through a sampling of complex probabilistic distributions of various features of interest for modeling energy usage within commercial buildings. Each sample from these distributions is converted into a building energy model based on the features of that specific sample. Each building energy model can be simulated as is, but additional changes can be made to the model through addition of energy conservation measures, component faults, or other desired alterations. The results of the simulations are then processed to provide insights for various stakeholders, including but not limited to policy makers, engineers, and marketers.

Horsey, Henry↗

10 Boron-film-based gas detectors at ESS

The development of detectors for the European Spallation Source is an important parallel element to the effort put into the design and construction of the neutron source and instruments. The 10Boron-film-based detector developments that started over a decade ago as basic detector concepts have now reached technical maturity after intense prototyping work and numerous testing campaigns. Several of the ESS beamlines that will soon enter the commissioning phase started welcoming the detector systems built with the 10 B-film converter technology. The real-size demonstrators evolved in the last 2–3 years into a diverse suite of gas proportional counters for use in diffraction, reflectometry and small-angle scattering studies in spite of the operational complexity posed by the requirements for large-area coverage, low material budget and robustness for operation in the high-flux and high-radiation environment of ESS. The detectors are now being shipped to ESS or undergoing the last performance and calibration tests before being handed over to the instrument teams for installation in the host beamlines. A common feature of these detector systems is the very large number of readout channels that they are instrumented with in order to fulfill the demanding requirements for sensitivity, spatial resolution and count-rate capability. Across all of the detector types that will operate at ESS, the integration, testing and commissioning of the read-out technologies and software tools for data reduction, calibration and analysis are the focus of the detector and integration teams. These will yield a wealth of knowledge about their operation as well as initial results on the in-situ performance, a very important asset to ensure rapid commissioning of the detectors when neutrons from the ESS source become available. In this paper we will give an overview of the 10 B-film-based detector technologies included in the ESS detector suite that are currently facing the transition from the production phase to installation and integration with the other beamline components, which comes with its own specific challenges of both organizational and technical nature.

47 OTHER INSTRUMENTATION↗

Internally Catalyzed Hydrogen Atom Transfer (I-CHAT)—A New Class of Reactions in Combustion Chemistry

The current paradigm of low-T combustion and autoignition of hydrocarbons is based on the sequential two-step oxygenation of fuel radicals. The key chain-branching occurs when the second oxygenation adduct (OOQOOH) is isomerized releasing an OH radical and a key ketohydroperoxide (KHP) intermediate. The subsequent homolytic dissociation of relatively weak O–O bonds in KHP generates two more radicals in the oxidation chain leading to ignition. Based on the recently introduced intramolecular “catalytic hydrogen atom transfer” mechanism (J. Phys. Chem. 2024, 128, 2169), abbreviated here as I-CHAT, we have identified a novel unimolecular decomposition channel for KHPs to form their classical isomers—enol hydroperoxides (EHP). The uncertainty in the contribution of enols is typically due to the high computed barriers for conventional (“direct”) keto–enol tautomerization. Remarkably, the I-CHAT dramatically reduces such barriers. The novel mechanism can be regarded as an intramolecular version of the intermolecular relay transfer of H-atoms mediated by an external molecule following the general classification of such processes (Catal. Rev.-Sci. Eng. 2014, 56, 403). Here, we present a detailed mechanistic and kinetic analysis of the I-CHAT-facilitated pathways applied to n-hexane, n-heptane, and n-pentane models as prototype molecules for gasoline, diesel, and hybrid rocket fuels. We particularly examined the formation kinetics and subsequent dissociation of the γ-enol-hydroperoxide isomer of the most abundant pentane-derived isomer γ-C5-KHP observed experimentally. To gain molecular-level insight into the I-CHAT catalysis, we have also explored the role of the internal catalyst moieties using truncated models. All applied models demonstrated a significant reduction in the isomerization barriers, primarily due to the decreased ring strain in transition states. In addition, the longer-range and sequential H-migration processes were also identified and illustrated via a combined double keto–enol conversion of heptane-2,6-diketo-4-hydroperoxide as a potential chain-branching model. To assess the possible impact of the I-CHAT channels on global fuel combustion characteristics, we performed a detailed kinetic analysis of the isomerization and decomposition of γ-C5-KHP comparing I-CHAT with key alternative reactions—direct dissociation and Korcek channels. Calculated rate parameters were implemented into a modified version of the n-pentane kinetic model developed earlier using RMG automated model generation tools (ACS Omega, 2023, 8, 4908). Simulations of ignition delay times revealed the significant effect of the new pathways, suggesting an important role of the I-CHAT pathways in the low-T combustion of large alkanes.

Biochemistry & Molecular Biology↗

Dynamic mode decomposition with core sketch

With the increase in collected data volumes, either from experimental measurements or high fidelity simulations, there is an ever-growing need to develop computationally efficient tools to process, analyze, and interpret these datasets. Modal analysis techniques have gained great interest due to their ability to identify patterns in the data and extract valuable information about the system being considered. Dynamic mode decomposition (DMD) relies on elements of the Koopman approximation theory to compute a set of modes, each associated with a fixed oscillation frequency and a decay/growth rate. Extracting these details from large datasets can be computationally expensive due to the need to implement singular value decomposition of the input data matrix. Sketching algorithms have become popular in numerical linear algebra where statistical theoretic approaches are utilized to reduce the cost of major operations. A sketch of a matrix is another matrix, which is significantly smaller, but still sufficiently approximates the original system. We put forth an efficient DMD framework, SketchyDMD, based on a core sketching algorithm that captures information about the range and corange (their mutual relationship) of input data. The proposed sketching-based framework can accelerate various portions of the DMD routines, compared to classical methods that operate directly on the raw input data. We conduct numerical experiments using the spherical shallow water equations as a prototypical model in the context of geophysical flows. In conclusion, we show that the proposed SketchyDMD is superior to existing randomized DMD methods that are based on capturing only the range of the input data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NREL Marine Energy Desalination Research and Development Portfolio: Preprint

The National Renewable Energy Laboratory (NREL), in collaboration with the U.S. Department of Energy's (DOE's) Water Power Technologies Office (WPTO), has developed a unique R&D approach to advance marine energy desalination. Desalination is a foundational investment within WPTO's Powering the Blue Economy portfolio, and was the first investment within this portfolio. NREL's marine energy desalination spans techno-economic feasibility studies, numerical modeling, and laboratory testing at the component and subsystem level, as well as development of the Hydraulic and Electric Reverse Osmosis Wave Energy Converter (HERO WEC). This multilayered approach enables an innovative feedback loop where the data and lessons learned from laboratory and field experiments are used to refine modeling tools and analysis techniques, prioritize out-year activities, and refine strategic directions within NREL and across the WPTO portfolio. The primary objective of the NREL-led research is to identify key barriers associated with the commercialization of wave-powered desalination and develop solutions that can be adopted by the marine energy industry. In parallel, these R&D activities can help inform technical assistance and support of industry and academic technologies. These two tracks help build a common solver community approach, while also identifying key stakeholders, government agencies, and other organizations outside of the marine sector that will be necessary for developing a robust industry. For the Spanish version of this report, see NREL/CP-5700-88483 (https://www.nrel.gov/docs/fy24osti/88483.pdf).

analysis↗

Cartera de Investigacion y Desarrollo Sobre Desalinizacion de Energia Marina del NREL: Preprint (Spanish Translation)

The National Renewable Energy Laboratory (NREL), in collaboration with the U.S. Department of Energy's (DOE's) Water Power Technologies Office (WPTO), has developed a unique R&D approach to advance marine energy desalination. Desalination is a foundational investment within WPTO's Powering the Blue EconomyTM portfolio [1], and was the first investment within this portfolio. NREL's marine energy desalination spans techno-economic feasibility studies, numerical modeling, and laboratory testing at the component and subsystem level, as well as development of the Hydraulic and Electric Reverse Osmosis Wave Energy Converter (HERO WEC). This multilayered approach enables an innovative feedback loop where the data and lessons learned from laboratory and field experiments are used to refine modeling tools and analysis techniques, prioritize out-year activities, and refine strategic directions within NREL and across the WPTO portfolio. The primary objective of the NREL-led research is to identify key barriers associated with the commercialization of wave-powered desalination and develop solutions that can be adopted by the marine energy industry. In parallel, these R&D activities can help inform technical assistance and support of industry and academic technologies. These two tracks help build a common solver community approach, while also identifying key stakeholders, government agencies, and other organizations outside of the marine sector that will be necessary for developing a robust industry. For the English version of this report, see NREL/CP-5700-86724 (https://www.nrel.gov/docs/fy24osti/86724.pdf).

analysis↗

Optical and magneto-optical properties of ferromagnetic monolayer CrBr 3 : A first-principles G W and G W plus Bethe-Salpeter equation study

The discovery of atomically thin two-dimensional (2D) magnetic semiconductors has triggered enormous research interest recently. In this paper, we use first-principles many-body perturbation theory to study a prototypical 2D ferromagnetic semiconductor, monolayer chromium tribromide (CrBr 3 ). With broken time-reversal symmetry, spin-orbit coupling, and excitonic effects included through the full-spinor GW and GW plus Bethe-Salpeter equation (GW-BSE) methods, we compute the frequency-dependent layer polarizability tensor and dielectric function tensor that govern the optical and magneto-optical (MO) properties. In addition, we provide a detailed theoretical formalism for simulating magnetic circular dichroism, MO Kerr effect, and Faraday effect, demonstrating the approach with monolayer CrBr 3 . Due to reduced dielectric screening in 2D and the localized nature of the Cr d orbitals, we find strong self-energy effects on the quasiparticle band structure of monolayer CrBr 3 that give a 3.8 eV indirect bandgap. Also, excitonic effects dominate the low-energy optical and MO responses in monolayer CrBr 3 where a large exciton binding energy of 2.3 eV is found for the lowest bright exciton state with excitation energy at 1.5 eV. We further find that the MO signals demonstrate strong dependence on the excitation frequency and substrate refractive index. Furthermore, our theoretical framework for modeling optical and MO effects could serve as a powerful theoretical tool for future study of optoelectronic and spintronics devices consisting of van der Waals 2D magnets.

36 MATERIALS SCIENCE↗

Comprehensive Review of DPF-based Flash Neutron Radiography Viability

MJOLNIR (MegaJOule Neutron Imaging Radiography) is a Dense Plasma Focus (DPF) being developed by LLNL as a prototype to assess the viability of a DPF as a flash neutron radiography source. To date, MJOLNIR has discharged up to 1.3 MJ of stored energy into a deuterium plasma load and achieved yields up to 1.2 × 10 12 neutrons per discharge. The MJOLNIR pulse length already meets the preliminary requirements for flash neutron radiography and we demonstrate in this report plausible paths forward to meet the yield requirement in a deuterium plasma. MJOLNIR’s neutron spot size has been characterized to be a factor of two greater than radiography requirements and presents the greatest challenge. A path forward to sufficiently shrinking spot size is outlined in this report, using a combination of gas dopants and a smaller anode implosion radius. A DPF is a plasma device with coaxial electrodes whose discharge ends with a stagnated hot and dense plasma column on-axis, at the tip of the central anode. Inside the MJOLNIR DPF plasma column, both thermal and beam target processes generate neutrons. To understand the underlying physics of neutron generation inside the DPF, we model the experiment using a combination of kinetic, fluid, and reduced-order models we have been developing for over ten years at LLNL. Our numerical tools are also pivotal to charting the path forward because they allow us to numerically test out which modifications would improve the DPF’s characteristic output.

42 ENGINEERING↗

Development of a BlueCRAB/MELCOR Framework for Supporting Realistic Mechanistic Source Term Calculations in Microreactors

Efforts are currently underway to deploy microreactor modeling and simulation tools to better support vendors and regulatory authorities in submitting and reviewing licensing applications. In particular, the Nuclear Regulatory Commission is expected to rely on the Comprehensive Reactor Analysis Bundle (BlueCRAB) multiphysics toolset in performing design- and beyond-design-basis accident analyses. In addition, the Nuclear Regulatory Commission has been using the MELCOR code to estimate mechanistic source terms during accidents. As MELCOR relies on isotopic inventory and reactor temperature/power evolution profiles during accident conditions—all of which can theoretically be obtained from BlueCRAB—the ultimate goal of this activity is to establish a common BlueCRAB-MELCOR framework. However, prior to the present research, BlueCRAB had never been used to calculate such quantities of interest at the full-core level. While there are many Monte Carlo (MC) codes capable of computing such quantities of interest, they are unable to readily account for multiphysics feedback. BlueCRAB allows for the coupling of different physics codes together to perform multiphysics-informed calculations. Therefore, the purpose of this fiscal year 2023 work is to investigate the feasibility and challenges of performing such calculations within BlueCRAB so as to generate the data that MELCOR relies on. To demonstrate the methodology, the proposed workflow was applied to a prototypical heat pipe-cooled microreactor model. To predict isotopic concentrations (taking into account the ac- cumulation of fission products during operation), the necessary microscopic cross sections were generated via OpenMC and tabulated with respect to temperature and burnup. Next, a recently developed capability in Griffin (the reactor physics application in BlueCRAB) was used to convert the OpenMC output format into the ISOXML format used by Griffin. A multiphysics microscopic depletion calculation that involved performing a coupled full-core, heterogeneous neutron trans- port and thermal calculation at each depletion step was conducted to deplete the core to end of life (EOL) conditions so as to provide both isotopics and the initial condition for the transient calculation. Following a brief null-transient to verify that the initial condition had been properly restarted and was indeed in thermal equilibrium, a heat pipe failure transient was simulated. Thus, the entire workflow of using BlueCRAB to generate MELCOR inputs, from cross-section generation to producing isotopic inventory and power/temperature evolution profiles during transients, is demonstrated. This report also details the identified gaps in the workflow and how they were (for the most part) addressed. Future work should focus on directly including MEL- COR into the workflow by performing a MELCOR calculation using the BlueCRAB-generated input data. In addition, the heat pipe reactor design should be improved so as to reflect more prototypical burnup characteristics at EOL.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Spectrum of embrittling potencies and relation to properties of symmetric-tilt grain boundaries

Grain boundaries in metallic materials can exist in a wide range of stable and metastable structures. In addition, the properties of a grain boundary may be altered through solute segregation. In this work, we present a formulation that combines the spectrum of embrittling potencies associated with solute segregation with site-occupancy statistics. As a prototype problem, we illustrate the relation between segregation and embrittlement in the case of S segregation to grain boundaries in Ni. To obtain a population of site segregation energies, we perform molecular statics calculations on 378 different symmetric-tilt grain boundaries and their free surface equivalents, using an embedded-atom method interatomic potential developed specifically for studying embrittlement. Our results show that it is important to consider both the energies associated with embrittlement and the probability of occupancy to describe the general embrittling nature of a grain boundary. When analyzed in isolation, certain grain boundaries show large embrittling potencies; however, that effect is diminished when the probability of S segregation to that grain boundary is considered within a polycrystal. We propose a new quantity, the embrittling estimator, which not only categorizes grain boundaries as embrittling or strengthening, but also considers site occupancy probabilities, so that the embrittlement behavior of grain boundaries within a network of grain boundaries can be compared. Finally, we examine the relationship between embrittlement behavior and innate grain boundary properties, such as the free volume, and find statistical evidence that the complex nature of embrittlement cannot be explained by linear correlations with excess volumes or energies. Ultimately, this combined approach provides a theoretical tool to assist grain boundary engineering of metastable alloys.

36 MATERIALS SCIENCE↗

Improved Beam Loss Accounting with Fast Data Acquisition (DAQ) Chassis

Identifying the source of beam loss events in the CE-BAF accelerator can be a challenging task. However, with our new prototype system, this task becomes more effi-cient. The system, developed in the fall of 2022, utilizes a dispersive beam position monitor (BPM) and the exist-ing switched electrode electronics BPM hardware. Previ-ously a commercial off-the-shelf data acquisition (DAQ) system was employed to capture BPM wire signals at a sample rate of 20 kS/s. The fast shutdown signal triggered the system, which disables the beam at the injector. Analysis of beam position and energy variation before a beam loss event was used to determine if the beam loss event was associated with an energy transient. The proto-type system, implemented using National Instruments hardware and LabVIEW® software, relied on a software trigger. Manual post-processing was required to ascertain whether the fault was due to an un-tripped cavity with a gradient or phase transient. This work focuses on deploying a Fast DAQ Chassis to monitor BPM hardware in real time and during beam loss events. This system was originally developed and in-stalled in CEBAF to monitor the time-domain RF control signals in the legacy analog RF systems. This technology was leveraged to also monitor BPM signals. As the new system employs a hardware trigger, developing tools to automatically identify faults linked to energy transients unrelated to cavity faults will be straightforward. This paper will discuss the project's initial updates, underlin-ing the crucial role of each member of our team in this achievement

Tiskumara, J.↗

Inspection Tools for Hanford Tanks and Waste Transport Systems - 20444

Recent integrity issues in the double-shell tanks (DST) at Hanford have motivated the need for developing innovative tools that can provide information regarding the health of the tanks. These issues include the primary linear failure of AY-102 and recent concerns of thinning in the DST secondary liners. Other concerns include erosion or corrosion on transfer lines and processing pipes. In recent years, Florida International University (FIU) has supported DOE-EM by developing tools that can assist in understanding the health of tanks and waste transport system at Hanford. More specifically, FIU has developed a miniature rover that can be deployed through small risers and gain access to refractory slots in the Hanford DSTs. It traverses through the slots on the primary liner upside down via magnets to avoid debris in the slots. Recent modifications include a spring loaded magnetic arm that allows the unit to traverse over large weld seams but does not reduce the overall functionality of the system. The system has also incorporated a control capsule that will sit within the annulus of the tank and improves on issues related to signal and voltage loss over long tether lines. Lastly, the unit is also being augmented with a second module that will include a means to prep the tank surface and obtain a thickness measurement using a dual element ultrasonic sensor. FIU has also developed a 6-inch peristaltic pipe crawler that operates similar to the previous pipe crawlers developed at FIU. This crawler is a marsupial type crawler that will navigate through the 6-inch drain lines, and deploy a small rover at the entrance of the drain slots. This rover will also traverse upside down on the secondary liner and provide information regarding the health of the liner. An initial prototype for the crawler unit has been developed, assembled and tested. The system is pneumatic and consists of three modules - two grippers and one extender. The validation tests are conducted in a mockup of the drain lines and demonstrate the system's ability to navigate through long pipe lengths and elbows. In this paper, a general overview of each of the aforementioned systems is presented along with results from testing and demonstrations that shows the applicability of each system. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Dual Triggered Beam Extraction Kicker (Rev. 1)

A Blumlein modulator is a relatively inexpensive pulsed power device that can deliver highly repeatable pulses that can be used to change the path of beam pulses. The modulator is primarily built with transmission line cable which is relatively inexpensive. Due to the highly repeatable nature of a Blumlein modulator it is a great tool for kicking beam pulses while producing very little spill or losses in beam current. One of the challenges with a Blumlein kicker is that the length of the kicking pulse output by the modulator is determined by the length of the cables. Cable lengths are set prior to implementation for the desired kicking pulse width. The Blumlein modulator at LANSCE uses a single thyratron which can deliver two 50-kilovolt 1,000-amp pulses of opposite polarity to kicking plates at the same time. This method makes for a very strong kick that is highly repeatable. A method that has been discussed, to deliver a different pulse width, is to add a second trigger that would be fired, once the desired pulse width has been delivered, cutting out the remaining pulse. The second trigger would offer a lot of variability with the pulse width of the kicker. This method has only ever been attempted using low current and relatively low voltages compared to the scale needed to properly kick a beam pulse. This in turn allows for the use of power supplies with a higher repetition rate. The advancement of this standard kicker technology in the accelerator facilities would attract attention within the scientific and engineering communities. The project detailed within will investigate the capabilities of different triggering topologies and design a prototype dual triggered Blumlein kicker modulator capable of variable kicking pulse width.

43 PARTICLE ACCELERATORS↗

DOE BSSD Performance Management Metrics Report Q2

The vision of the National Microbiome Data Collaborative (NMDC) centers on the concept of connecting data, people, and ideas to advance microbiome innovation and discovery. Building data infrastructure, while key to NMDC’s ability to execute on our vision, can only go so far in creating scientific impact. By fostering strong community partnerships and developing a set of robust community outreach and training programs, we are able to turn our products – the Submission Portal, NMDC EDGE, and the Data Portal – into tools that empower the scientific community. Our multi-pronged community building approach spans individual researchers, research teams, consortia and scientific societies, and institutions and federal agencies. To foster a collaborative and inclusive community-centered environment, we have identified three strategic objectives to promote an inclusive and connected community: (1) recognize and support the diverse research needs and perspectives of the microbiome research community; (2) promote best practices across the microbiome community, from researchers to funders, through community-driven practices (FAIR, CARE, and TRUST); and (3) build a microbiome ecosystem that enables scientific discovery and innovation across stakeholders. These strategic objectives allow our team to focus on impact across a diverse range of activities, from launching the American Society for Microbiology (ASM) Microbiome Data Prize to supporting the Ambassador and Champions programs fostering learning and building a collaborative network. We broadly communicate our work through social media (X/Twitter, LinkedIn, and Instagram), The Microbiome Standard (our quarterly newsletter), and Annual Reports. All our work is underpinned by a strong commitment to diversity, equity, and inclusion as articulated in our Action Plan that tracks progress towards key metrics. A core component of our engagement strategy is user research. User research ensures the Submission Portal, NMDC EDGE, Data Portal, and the new Field Notes mobile app are designed with and for the scientific community. Our user research efforts consist of asking researchers exploratory questions to collect information on researcher priorities, methodologies, and perceptions to ensure that we are aware of the current state of microbiome research. Our usability testing provides researchers with prototypes or test environments of the NMDC products, and we capture valuable information on how users interact with the products to make improvements. Given the diverse nature of microbiome work, we acknowledge that we are not aware of all pressing data challenges and thus rely on the research community to help us identify the most important issues to prioritize. To date, we have conducted 24 interviews and one beta-testing call with 10 participants across all NMDC products, which have generated 321 insights and 120 action items. Herein, we describe the ways we engage with the microbiome research community to advance the NMDC mission.

59 BASIC BIOLOGICAL SCIENCES↗

Performance Criteria for Capture and/or Immobilization Technologies (Revision 1)

The capture and subsequent immobilization of regulated volatile radionuclides from the off-gas streams of a used nuclear fuel (UNF) reprocessing facility has been a topic of substantial research interest for the US Department of Energy and its international counterparts. Removal of specific radionuclides from the plant effluent streams before discharge to the environment is required to meet regulations set forth by the US Environmental Protection Agency. Upon removal, the radionuclides, as well as associated sorbents that cannot be regenerated in a cost-effective manner, are destined for conversion to a waste form. Research in separation and capture methodologies has included a wide range of technology types, and studies of waste forms are correspondingly diverse. In considering the future development and implementation of both sorbents and waste forms, it is necessary to identify benchmark measures of performance to objectively evaluate each sorbent system or waste form. Sets of performance criteria and associated metrics have been developed for sorbent and waste form evaluation. These criteria address physical, radiological, and chemical characteristics, technical practicality, technical maturity, cost, and, for sorbents, system performance. The criteria and metrics appear to be robust and should be applicable despite the eventual waste classification (as either high- or low-level waste). They are flexible enough to address both aqueous reprocessing and electrochemical reprocessing of UNF. These criteria sets can serve as tools to evaluate performance at multiple stages within the development process, and in this revision (Revision 1) they have been used to assess technologies relating to krypton/xenon separations and iodine capture from off-gas streams arising from UNF reprocessing. Assessment of krypton/xenon separations using engineered forms of two zeolite minerals (silver mordenite and hydrogen mordenite in a polyacrylonitrile-based binder [AgZ-PAN/HZ-PAN]) found that the zeolite-based separation is relatively advanced in its development, but several key issues require resolution. First, desorption processes for both krypton and xenon require refinement to provide an understanding of the product purity that can be achieved. Second, adsorption rate data is needed in order to calculate the bed depth required for effective separation. Finally, it is strongly recommended that a technical review of krypton/xenon separation by AgZ-PAN/HZ-PAN be performed to synergize available data and assess the cost savings and operational benefits that may be realized from implementation of this technology. Assessment of metal organic frameworks (MOFs) for their use in the separation of krypton/xenon found that the ideal separation would be performed using a single-column system with a MOF selective for krypton over xenon. A robust research effort should work to identify a krypton-selective MOF designed to operate at temperatures of approximately 0°C or higher, which could be preferred over cryogenic krypton/xenon capture for used fuel reprocessing off-gas streams. In the case of the CaSDB-MOF (the most well-understood xenon sorbent to date), two issues are judged of high importance. First, xenon breakthrough capacity for the CaSDB-MOF in prototypical conditions should be determined. Preliminary research indicates that breakthrough may be near immediate, presenting a substantial obstacle in separative system design. Second, development of desorption methodology should be performed to determine regeneration time, energy requirements, and the product stream composition. Silver-based sorbents (AgZ and AgAero) for use in iodine capture from the dissolver off-gas were evaluated against the established criteria. These sorbents are significantly better understood for this application as a result of research efforts over the past decade. The potential implementation of AgAero at a large scale is hindered by its physical degradation by components of the dissolver off-gas stream. Less is known about the adsorption of iodine by these sorbents from other off-gas streams in the plant. Initial experimental efforts have been closely coordinated in an effort to understand organic iodine (such as would be found in the vessel off-gas) adsorption by AgZ and AgAero. Future work should expand this experimental program, and analysis of other reprocessing facility off-gas streams such as the vitrification off-gas stream should be conducted to better understand other potential applications for iodine sorbents. A review of iodine waste form development shows that this area is diverse and that multiple promising waste forms have been identified for the immobilization of radioactive iodine. Efforts related to the direct conversion of iodine sorbents (including AgZ and AgAero) should be continued because of the advantages of direct conversion in a waste management strategy and other sorbents should continue to be advanced as merited.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Microchannel-based Membrane-less Extraction of Li from Unconventional Lithium Sources & the Separation of REE

This final report provides an overview of the Project's entire duration, covering July 1, 2021 to December 31, 2023. It primarily focuses on the achievements, technological developments, and unique challenges the team faced while working on separating and extracting Lithium from produced waters. The project's primary aim was to create an integrated, high-throughput, membrane-less, and modular microfluidic platform that could extract Lithium from unconventional sources. We have successfully met all goals and milestones envisioned in the SOPO document. The most critical primary milestones, including the Go-No-Go milestone (refer to the Gantt chart in the Appendices), were successfully accomplished. We demonstrated phase separation (>90%) and extraction (>85%) performance in the MPSE using synthetic, and representative produced water composition feed at 50 ml/min total flow through MPSE 36. We have also performed a parametric study of the MPSE operations, beyond the scope of SOPO, exploring operating conditions of current and broader interest. The extended investigation of operational parameters is concurrent with our efforts to seek further development of the MPSE technology beyond the scope of the Project. Along these lines of development, we have made efforts to be responsive to DOE calls for technological developments of other types of resources (beyond PW) for the recovery of Critical Materials and higher TRL development (beyond TRL 4). During the work on this Project, we developed and implemented three innovative technical approaches that emerged from our efforts to successfully meet the Project milestones. The innovative & original technical approaches developed and implemented in this Project are now the contributions to process engineering that could be clearly credited to the Project. First, Convergent Design Approach is a comprehensive feedforward & feedback loop of four design phases: i) design for functionality, ii) design for manufacturing, iii) design for sustainability, and iv) design for market. Next was Process Intensification. A major aim of this Project was to create an innovative phase separation & extraction microscale-based technology for Li separation – thus the words microchannel-based in the Project title. A microscale-based technology is intrinsically in the center of the Process Intensification domain as defined by its unique principles. Therefore, Process Intensification was implicitly envisioned in the Project’s SOPO. Lastly, Time Scale Analysis is a novel tool for discovering the needs and directions of Process Intensification implementations in any process technology. This Project is fully credited for developing and implementing the three novel technical approaches mentioned above. These are general contributions to process engineering that emerged from this Project. Beyond the original SOPO scope, the OSU-U.Pitt research group utilized a Convergent Design methodology, integrating first-principles mathematical modeling with experimental validation on the Minimum Development Vehicle. By creating these Digital Twins, the team rapidly assessed manufacturing iterations to support TEA analysis. This framework further enabled the development of advanced Surface Modification Techniques, where hydrophobic and oleophobic coating strategies were optimized via Digital Twin tools and validated through rigorous 100-hour longevity testing. TEA Analysis: The closing efforts of this Project were focused on the TEA analysis. TEA analysis had two primary functions: i) enabling critical assessments of design variations withing 10 the Concurrent Design Approach, thus enabling evolution of the MPSE design to reach faster- better-cheaper alternatives; and ii) to create a bridge between the accomplishments of this Project and future projects of higher TRL, beyond TRL 6 level. It is important to note that the TEA model created in the Project stirred the technological solutions for the recovery of critical materials toward a vision of a very profitable modular plant that has unique zero-waste water discharge signature. More importantly, thanks to our experimental performance data and conservative assumptions, the TEA model predicts minimal technological and investment risks. Low cost of a modular unit of a nominal capacity of [1000 tons of Li 2 CO 3 /year] positions the MPSE based technology within the reach of community investors, thus offering a paradigm shift in the development of critical technologies. The project successfully navigated two primary challenges: solvent selection and manufacturing adaptation. Restricted by the SOPO to existing literature for lithium recovery, the team identified a critical need for a "material excellence program" to develop next-generation solvents, eventually concluding with a preliminary investigation into promising Ionic Liquids (ILs). Simultaneously, COVID-19 supply chain disruptions forced a pivot from traditional manufacturing to advanced additive methods at ATAMI-OSU. By transitioning from stainless steel to 3D-printed polymer substrates, the team achieved a transformative three-order-of- magnitude reduction in manufacturing costs and compressed prototyping timelines from several months to just two days. The MPSE technology offers significant energy, environmental, and economic advantages by overcoming the traditional bottlenecks of phase-separation hardware and contactor size. Unlike conventional mixer-settlers or membrane-based systems, MPSE operates without moving parts or fouling-prone membranes, achieving robust performance even with challenging, viscous, or particulate-heavy feeds. Key performance metrics include an energy intensity reduction of 5–50x (3–40 kJ/m 3 ) compared to incumbent technologies and a dramatic reduction of processing time to under 60 seconds, which drastically reduces the physical plant footprint. These technical efficiencies translate into superior economic outcomes; for a 100 t/year Li 2 CO 3 facility, implementing MPSE is projected to nearly halve contactor CAPEX (from $\$$6.08M to $\$$3.01M) and significantly increase the project's Net Present Value (NPV), derisking new investment and enabling distributed critical-mineral processing configurations. The commercialization of MPSE technology is being spearheaded by Vigsur Dynamics Inc., which has adopted a structured, parallel approach to technical and business development since its formation in January 2026. Following extensive customer discovery and engagement with the Oregon State University accelerator, Vigsur Dynamics is working to establish a business model that transitions from pilot demonstrations to modular hardware sales, ultimately aiming for a "build-own-operate" service strategy. Current technical milestones—including 100 hours of continuous operation, superior energy efficiency, and successful 6-unit modular scale-up— provide a foundation for this transition. Backed by ongoing IP licensing and a growing network of industrial and venture advisors, the company is actively de-risking the platform to replace conventional mixer-settler systems in the critical minerals market.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Heat load measurements for the PIP-II pHB650 cryomodule

This study presents a brief overview of the 1st and 2nd phases and an in-depth analysis of the 3rd phase heat load testing performed on the pHB650 (prototype High Beta 650 MHz) cryomodule at PIP2IT (PIP-II Injector Test Facility), with a focus on both the results and the methodological advancements that have improved testing efficiency and accuracy. A key challenge identified in the testing campaign is the higher-than-expected heat loads observed in the first PIP-II (Proton Improvement Plan II) prototype cryomodules (pSSR1 and pHB650) tested at PIP2IT. Elevated heat loads are concerning given the fixed capacity of the PIP-II cryoplant that is currently being installed at Fermilab. However, understanding the sources of these elevated heat loads offers a critical opportunity to implement effective heat load mitigations on upcoming PIP-II cryomodules to stay within the available capacity of the PIP-II cryoplant. The study includes a summary of test results, descriptions of measurement procedures, and key observations on parameters directly and indirectly related to heat load measurements. Direct observations include measured heat loads and the effectiveness of JT heat exchanger under varying conditions, while indirect observation analyze factors such as the temperature distribution on the two-phase pipe and relief piping under varying conditions. Thermal acoustic oscillations (TAO) were identified during testing, which was mitigated by replacing the original G10 stem with a stainless steel stem equipped with wipers for the cryomodule cooldown valve. A major innovation during pHB650 Phase 3 testing was the development of an automated Python script to streamline data acquisition, analysis, and reporting of heat load results. This script automatically retrieved data from ACNET (Accelerator Control Network), performed heat load calculations, and generated detailed reports featuring plots and tables. This advancement significantly reduced manual labor and enhanced the thoroughness of data analysis compared to earlier campaigns. The heat load test reports were promptly uploaded to the electronic logbook shortly after each test, enabling rapid feedback and collaboration between the SRF and cryogenic teams. The heat load measurements included various components: HTTS (high-temperature thermal shield), LTTS (low-temperature thermal shield), 2K isothermal and non-isothermal heat loads. Results were recorded both within the cryomodule and between the bayonet can supply and return. Measurements were conducted under different operating conditions such as "standard", "linac", and "simulated dynamic". Additionally, HTTS and LTTS heat loads were calculated in real time, allowing for the tracking of thermal stability and identification of changes during testing, both in steady-state and transient conditions. The results of this testing campaign not only provide valuable insights into the performance of the pHB650 cryomodule but also highlight best practices and lessons learned that will inform future cryomodule testing at PIP2IT. These include adopting automated tools for data analysis, refining real-time measurement capabilities, and emphasizing detailed pre-test planning. The framework established in this campaign aims to set an improved standard for cryomodule testing and heat load reporting in future cryomodule test campaigns.

Porwisiak, D. [Fermilab; Wroclaw Tech. U.]↗

Novel Instrumentation for Advanced Quantum Chromodynamics Studies with Flavor Sensitivity

The true nature of ordinary matter has always fascinated humankind, whose imagination has been pointed to the right direction since the 5th century BC with the first known atomic theory by Leucippus and Democritus. They described the matter as formed by small, invisible, indivisible, and eternal particles: the atoms. A long investigation followed them, including contributions from several of history?s greatest philosophers and scientists. The progress led to the understanding that atoms have an internal structure consisting of a central nucleus composed of protons and neutrons, surrounded by a cloud of electrons. About 50 years ago, scientists discovered that nucleons also have an internal structure. Through the Deep Inelastic Scattering (DIS) experiments, on which a lepton is scattered off a nucleon, it was possible to access the distribution of partons inside the nucleon along the longitudinal direction defined by the hard-scale probe. It was a crucial step in developing Quantum Chromodynamics (QCD), currently the best theory describing the subatomic matter. Ultimately, DIS was recognized as a limited tool to investigate the nucleon structure because it is mainly sensitive to observables at the probe?s energy scale. In recent decades, theoretical developments have allowed defining soft-scale observables by measuring more complex processes. Reactions such as Semi-Inclusive Deep Inelastic Scattering (SIDIS) with single or di-hadron production, can provide information about the momentum of parton inside the nucleon. In particular, polarized SIDIS allows access to the Transverse-Momentum-Dependent (TMD) parton distributions describing the correlations of the quark and gluon degrees of freedom in transverse momentum and spin. This study can provide three-dimensional imaging of nucleon structure and inner dynamics, as long as the hadronic component in the final state can be measured. Identifying the species of the produced particles provides information on the quark flavor and assumes a crucial role in this context. The thesis describes the work carried out by the author in preparing novel instrumentation for particle identification in the final state of DIS experiments, to support modern analysis of the parton dynamics within the basic confined object (nucleon) with flavor sensitivity. The work has been focused on the CLAS12 spectrometer in operation at Jefferson Laboratory (JLab), Newport News, VA, USA, and the ePIC experiment in preparation for the future Electron-Ion Collider (EIC) at Brookhaven National Laboratory (BNL), Long Island, NY, USA. CLAS12 is a fixed-target experiment using a 12 GeV beam of polarized electrons scattering off polarized nuclear targets. In 2018 and 2022, two Ring Imaging Cherenkov (RICH) detector modules were installed to improve the ?±/K± separation in the high-momentum region (3÷8 GeV/c) of the experiment. The author contributed to the assembly, installation, and com- missioning of the second RICH module, to the efficiency studies of the first module, and to the first SIDIS analysis with high-momentum kaons identified by the RICH. These studies led to the observation of the first spin asymmetry with high-momentum kaons from the CLAS12 experiment, and an initial assessment of the systematic error associated with the hadron identification. ePIC will be the first experiment at the future EIC, the new collider designed to expand the frontiers of QCD. The author was involved in the development of the dual-radiator Ring Imaging Cherenkov (dRICH). This detector will interpolate the measurements of the Cherenkov angles of photons produced by relativistic particles crossing two different radiators to identify charged hadrons. The author contributed to the studies conducted with the dRICH prototype, developing the reconstruction and analysis software and simulations, characterizing the aerogel radiator samples, and being responsible for the tracking system used during the beam tests. The performance obtained by the prototype has been progressively improved and the results are now comparable with the expectation derived from the simulation and satisfy the requirements of the experiment. In Chapter 1, the SIDIS theory is briefly introduced, outlying the connection with the experimental measurement. Chapter 2 includes the description of the CLAS12 RICH, its assembly and installation, and the efficiency study. In Chapter 3, the analysis of the Beam-Spin Asymmetry associated with SIDIS kaons is described. Chapter 4 describes the contribution to the dRICH for EIC, starting from a description of the ePIC experiment and focusing on the studies performed for the dRICH prototype. The conclusions of this work are summarized at the end.

Vallarino, Simone↗