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DOE OSTI2025

Genetically Controlled Iron Oxide Biomineralization in Encapsulin Nanocompartments for Magnetic Manipulation of a Mammalian Cell Line

Magnetic nanoparticles have proven invaluable for biomechanical investigations due to their ability to exert localized forces. However, cellular delivery of exogenous magnetic agents often results in endosomal entrapment, thereby limiting their utility for manipulating subcellular structures. This study characterizes and exploits fully genetically controlled biomineralization of iron-oxide cores inside encapsulin nanocompartments to enable magnetic-activated cell sorting (MACS) and magnetic cell manipulation. The fraction of MACS-retained cells showed substantial overexpression of encapsulins and exhibited both para- and ferrimagnetic responses with magnetic moments of 10 -15 A m 2 per cell, comparable to standard exogenous labels for MACS. Electron microscopy revealed that MACS-retained cells contained densely packed agglomerates of ≈30 nm iron oxide cores consisting of ultrafine quasicrystalline ordered nuclei within an amorphous matrix of iron, oxygen, and phosphorus. Scanning transmission X-ray microscopy, X-ray absorption spectroscopy, and Raman microspectroscopy confirmed that the iron-oxide species are consistent with ferric oxide (Fe 2 O 3 ). In addition, the encapsulin-overexpressing MACS-retained cells can be manipulated by a magnetic needle and regrown in patterns determined by magnetic gradients. This study demonstrates that the formation of quasicrystalline iron oxide with mixed para/ferrimagnetic behavior in the cytosol of mammalian cells enables magnetic manipulation without the delivery of exogenous agents.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Directed Self-Assembly of the Organic Semiconductor C8-BTBT-C8 in Anodic Aluminum Oxide Nanopores

Controlling the self-assembly of organic semiconductors at the nanoscale is critical for advancing high-performance electronic and photonic devices, yet it remains challenging due to their intrinsic anisotropic crystallization and sensitivity to processing conditions. Here, in this study, we demonstrate that cylindrical nanoconfinement within anodic aluminum oxide membranes provides a versatile platform to precisely tune the molecular orientation and phase behavior of the prototypical organic semiconductor 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT-C8). Combining temperature-dependent high-resolution synchrotron X-ray scattering with optical birefringence measurements, we uncover that confinement geometries (pore diameters 25–180 nm) and surface chemistry govern the emergence of distinct smectic A textures, featuring molecular layers either parallel or perpendicular to the pore axis. The competition between axial and radial smectic layering is modulated by pore size, surface hydrophilicity, and thermal history, enabling reversible control over domain orientations and transitions between liquid crystalline and crystalline states. Notably, nanoconfinement stabilizes the smectic phase over an expanded temperature range compared to bulk, while inducing complex multidomain configurations owing to geometric constraints and anchoring conditions. Our results elucidate fundamental mechanisms by which anisotropic nanoscale confinement directs the self-organization of highly conjugated organic molecules, with implications for optimizing directional charge transport and anisotropic optical responses in organic–inorganic hybrid nanoarchitectures. This study establishes nanoconfinement as a powerful strategy to engineer morphology and functional properties in organic semiconducting materials with nanoscale precision.

36 MATERIALS SCIENCE↗
DOE OSTI2025

NiAl–MoO 2 S 2 Nanoparticles: Structural Evolution and Mechanistic Insights into High-Performance Selenium Oxyanion Removal across Diverse pH Conditions

Advancing sorbent materials for the selective removal of toxic oxyanions from water requires synthetic control, tunable chemistry, and an atomic-level understanding of structure–function relationships. Here, we report the synthesis and detailed characterization of NiAl–MoO 2 S 2 , a novel layered double hydroxide (LDH) nanomaterial designed for the efficient sequestration of selenium oxoanions (SeO 3 2– and SeO 4 2– ) from complex aqueous environments. The material is synthesized through a room-temperature ion-exchange process, wherein interlayer NO 3 – anions in NiAl–LDH are replaced with MoO 2 S 2 2– clusters, forming high-surface-area, flower-like nanoparticles. Comprehensive structural analysis using the synchrotron X-ray pair distribution function, X-ray absorption spectroscopy, and X-ray photoelectron spectroscopy reveals a distinct chemical transformation of intercalated [MoO 2 S 2 ] 2– into [Mo 2 O 2 S 6 ] 2– -like clusters, generating redox-active interlayers that drive selenium capture. This tailored interfacial chemistry underpins the material’s exceptional sorption performance, achieving distribution coefficients (K d ) ≥ 10 6 mL/g and maximum capacities of 343 mg/g for SeO 4 2– and 514 mg/g for SeO 3 2– , outperforming state-of-the-art inorganic sorbents. Importantly, NiAl–MoO 2 S 2 maintains high selectivity and capacity across acidic, neutral, and alkaline pH, efficiently removing selenium from ppm to sub-10 ppb trace levels, even in the presence of competing ions typical of natural and industrial waters. The selenium uptake proceeds via reductive precipitation coupled with the oxidation of molybdenum and sulfide within the LDH framework. This study highlights the power of strategic synthetic modification and interlayer functionalization in LDHs to unlock new structural motifs and redox chemistries, offering a scalable route to advanced materials for environmental remediation.

Adsorption↗
DOE OSTI2020

10 MWE CDCL Large Pilot Plant – pre-FEED Study

Coal Direct Chemical Looping (CDCL) is an advanced oxy-combustion technology that has the potential to substantially reduce the energy penalty and the cost of electricity (COE) for coal-fired power generation with CO₂ capture. The Babcock & Wilcox Company (B&W) and The Ohio State University (OSU) have been collaborating on the development of an iron oxide oxygen-carrier based chemical looping technology for clean power generation with inherent carbon capture. In this process, coal is dried and pulverized prior to being transported into a moving-bed reducer. In the reducer, coal reacts with the oxygen-carrier particles, forming combustion byproducts, predominantly CO₂ and H₂O, while reducing the iron oxide oxidation state from Fe₂O₃ to a mixture of FeO and Fe. The reduced state particles are then transported to a combustor reactor and re-oxidized with air. Following the oxidation, the oxygen-carrier particles are regenerated, and a large amount of heat is released for steam production. The produced steam is sent to a turbine for electricity generation. Meanwhile, the CO₂–rich stream leaving the reducer is cooled, cleaned, and compressed for subsequent pipeline transportation and sequestration. By combining air separation and fuel conversion into a single system, the CDCL technology enables the intensification of oxy-combustion processes by eliminating the energy and cost intensive cryogenic air separation unit and thereby results in higher overall plant efficiencies and lower COE’s. The use of a moving-bed reducer results in high conversions of volatile hydrocarbons and high CO₂ purity, which reduces the cost of downstream CO₂ purification for sequestration or utilization. The Babcock & Wilcox Company in collaboration with The Ohio State University, Johnson & Matthey, The Electric Power Research Institute, and Dover Light & Power completed a Preliminary Front-End Engineering and Design (Pre-FEED) study of a 10 MWe coal-direct chemical looping (CDCL) pilot plant. The planned system is a modular 10 MWe CDCL large pilot facility consisting in 4 modules of 2.5 MWe each, working in parallel and to be hosted within the current structure at the City of Dover’s Municipal Power Plant. The CDCL system can achieve auto-thermal operation and includes a sub-critical steam cycle for power generation. The pilot system was designed to demonstrate full commercial operation at a reduced scale. The coal distribution per plan area is a representative slice of larger commercial arrangements. The system includes a CO₂ recycle system, but it does not include a compression system. The large pilot includes all the environmental control equipment and oxygen carrier and ash handling systems. As part of the project, the Team performed laboratory testing and carried out multiple pilot test campaigns to obtain design and performance information at the 250 kWth CDCL pilot facility at the Babcock & Wilcox Company’s Research Center. The Team demonstrated sustained operations at designed coal inputs, high coal conversion, high CO₂ purity, heat generation on the combustor, low carbon carryover between reactors and low particle attrition. Emissions generated in the reducer reactor were identified as SO₂ and NO x . The commercial manufacturing cost of oxygen carrier particle was evaluated by JM. A particle manufacturing report was generated and submitted to the DOE. Based on the results from the pilot tests and the pre-FEED design efforts, a techno-economic analysis was performed. The study shows that the CDCL process is a promising carbon-friendly technology capable of producing electricity with high efficiency. The estimated COE of the supercritical CDCL plant is $83.3 / MWh, which meets DOE’s target of less than 30% increase in COE when compared to a supercritical PC plant without CO₂ capture. This is the lowest among the existing carbon capture technologies (post-combustion and oxy-combustion) for fossil fuel power plant. CDCL is evaluated to be the most promising technology for carbon capture from the economic aspect.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Demonstration and Evaluation of the Human-Technology Integration Guidance for Plant Modernization

The significance of nuclear power in its role producing carbon-free electricity to the U.S. cannot be overstated. However, with changes in the energy market coupled with changes in incentives given to certain resources like solar and wind, the operating and maintenance costs for these sources have seen a significant reduction, which has consequently negatively impacted the economic viability of the existing U.S. nuclear power plant fleet. Digital instrumentation and control (I&C) and control room modernization is a major critical work domain to reduce operating and maintenance costs. Existing nuclear power plants are commonly configured with mostly legacy analog I&C as well as isolated pockets of digital I&C (a plant process computer, digital recorders, etc.). One challenge with this analog I&C is that replacement parts are becoming prohibitively more expensive and difficult to obtain. Moreover, a significant challenge with the existing analog I&C is that the way in which plants are currently operated and maintained is no longer competitive with other electricity generating sources, like natural gas, where advanced digital I&C technologies are commonplace. This gap between the waynuclear power plants are operated compared to other electricity generating sources significantly challenges the economic viability of the nuclear industry. Indeed, digital I&C systems can fundamentally change the way the plant is operated (i.e., the concept of operation). The introduction of digital I&C technologies offers a wealth of benefits to the nuclear industry. However, it is important to emphasize that, to realize these benefits, a careful understanding of how to integrate technology in a collaborative way that leverages the capabilities of people and technologies is necessary. Human-technology integration applies human factors engineering methods and tools to ensure the safe and reliable use of these technologies while ensuring that the inherent features of the technologies that provide economic value are not missed. The scope of this work documents the demonstration of the recently developed human and technology integration methodology, as applied to developing a new vision and concept of operations for a major U.S. nuclear power plant fleet. This report focuses on the methodological aspects of developing a vision and concept of operations. This report shares the tools, activities, and lessons learned during a modernization currently underway for industry as a whole to consider when planning any significant digital modification and developing a new vision and concept of operations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

SAN-Based Block Polymers as a Platform for Manufacturing Strong Isoporous Membranes

Ultrafiltration (UF) membranes are ubiquitous in water purification and bioprocessing. However, co-designing their mechanical and transport properties remains challenging because of the broad pore size distributions at the surface and within the bulk that result from nonsolvent-induced phase separation (NIPS) – their typical manufacturing process. These distributions influence the hydrodynamic resistance to water flow and the stress concentrations around the pores. Developing advanced UF membranes requires innovative molecular designs that offer control over the surface and bulk pores, as well as the mechanical properties of the load-bearing, polymer. Here, we introduce a platform for designing UF membranes by leveraging solution self-assembly of block polymers and chain architectures with pendant polar groups. The block polymers consist of a poly(styrene-co-acrylonitrile) hydrophobic block, which is known for its strength, and a poly(4-vinyl pyridine) hydrophilic block, which drives solution self-assembly. We focus on a series of block polymers with constant molecular weight, M n ≈ 115 kDa, SAN fraction, 75 wt.%, and varying acrylonitrile content, 0 to 40 mol%, to demonstrate that: (i) RAFT dispersion copolymerization of acrylonitrile and styrene provides a facile route to synthesize strong block polymers, (ii) incorporation of acrylonitrile into the hydrophobic block enhances membrane strength by facilitating chain entanglements and dipole-dipole interactions, and (iii) acrylonitrile alters the balance between membrane permeance and rejection, even when the membranes feature similar surface and bulk pores. Overall, our results provide insights into the molecular design of UF membranes with enhanced mechanical and separation properties, contributing to the development of materials for water and energy technologies.

deformation↗
DOE OSTI2024

Safe Operations at Roadway Junctions: Intelligent Roadway Infrastructure as Functional Interlocking

Automated vehicle (AV) technology is quickly maturing, and the corresponding infrastructure systems that evaluate traffic and communicate to vehicles requires sophisticated sensing and perception technologies, referred to as intelligent roadway infrastructure (IRI), to complement emerging AV capabilities. IRI provides signals to vehicles, indicating right-of-way for vehicles and communicating to approaching AVs that no other vehicle is failing to yield. This capability, denoted as safety-affirmative signaling, provides a green light or a green arrow as appropriate and affirms through communication links to connected vehicles when it is safe to proceed. About 36% of collisions occur at intersections, with most occurring upon left turns (22.2%) or crossing over (12.6%), and only a small percentage (1.2%) while turning right at an intersection. Of all intersection crashes about half (52.5%) of those vehicles were traveling through a signalized intersection 2. Safety-affirmative signaling would guarantee safety of AV fleet vehicles, by providing the interlocking principle, a term from automated train control that only allows progression through a railway intersection after affirming no opportunity for a crash exists. IRI through safety-affirmative signaling would bring performance and safety to complex roadway intersections where AV transit fleet service is most needed, as well as safety benefits to traditional, non-automated vehicles and vulnerable road users. The implementation of IRI has functional, programmatic, and technical challenges. Research work performed at the National Renewable Energy Laboratory (NREL) in an integrative approach encapsulating these themes, and termed infrastructure perception and control (IPC) is motivated by improved performance (travel time), improved safety (reduced collisions), and improved energy efficiency (less fuel burned and minimized production of greenhouse gases). IPC is intended not only for roadway and intersection applications but also in extension to inform complementary buildings and grid systems to enable better co-management, as vehicles and their charging needs become increasingly integrated into the built environment. The NREL IPC project presents an open-source framework, architecture, and supporting technology to implement IRI, addressing critical issues such as fusion of data, reliability, standardization of data interfaces, and confidence of detection. The framework is informed by previous experience in U.S. Department of Defense research technology, specifically in the use of radar to detect, identify, and track aerial threats. These principles combined with multi-sensor fusion provides for a complete digital twin with known and measurable confidence and accuracy from which safety-affirmative signaling can be developed and deployed.

ADVANCED PROPULSION SYSTEMS,MATHEMATICS AND COMPUT↗
DOE OSTI1992

Nuclear Safety [Vol. 33, No. 1, January-March 1992]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 1 Technical Note: A New Approach to Fission Reactor Safety, Yu. V. Petrov; 5 Erratum; ACCIDENT ANALYSIS: 6 Analysis and Modeling of Fission Product Release from Various Uranium-Aluminum Plate-Type Reactor Fuels, R. P. Taleyarkhan; CONTROL AND INSTRUMENTATION: 23 Applications of a Surveillance and Diagnostics Methodology Using Neutron Noise From a Pressurized-Water Reactor, R. T. Wood, L. F. Miller, and R. B. Perez; DESIGN FEATURES: 36 Westinghouse Advanced Passive 600 Plant, B. A. McIntyre and R. K. Beck; 47 System 80+™ PWR Safety Design, C. W. Bagnal, R. A. Matzie, and R. S. Turk; ENVIRONMENTAL EFFECTS: 58 The MATS Experiments—Mesoscale Atmospheric Transport Studies at the Savannah River Site, A. H. Weber, S. Berman, R. J. Kurzeja, and R. P. Addis; 75 Book Review: Environmental Radioactivity in the European Community 1984-1985-1986, C. A. Little; WASTE AND SPENT FUEL MANAGEMENT: 76 Activities Related to Waste and Spent Fuel Management, M. D. Muhlheim and E. G. Silver; OPERATING EXPERIENCES: 87 Aging Assessment of BWR Control Rod Drive Systems, R. H. Greene; 100 Reactor Shutdown Experience, Compiled by J. W. Cletcher; 103 Selected Safety-Related Events, Compiled by G. A. Murphy; 110 Operating U.S. Power Reactors, Compiled by M. D. Muhlheim and E. G. Silver; RECENT DEVELOPMENTS: 129 General Administrative Activities, Compiled by M. D. Muhlheim and E. G. Silver; 139 Reports, Standards, and Safety Guides, D. S. Queener; 143 Proposed Rule Changes as of Sept. 30 1991; ANNOUNCEMENTS: 128 Harvard School of Public Health Announces Short Courses; 128 16th Biennial ANS Topical Meeting on Reactor Operating Experience: Present and Future Technologies—Applying Lessons Learned (Call for Papers); 147 The Authors; 150 Indexes to Nuclear Safety, Volume 32; 154 Errata.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2015

Lidar Sensor Performance in Closed-Loop Flight Testing of the Morpheus Rocket-Propelled Lander to a Lunar-Like Hazard Field

For the first time, a suite of three lidar sensors have been used in flight to scan a lunar-like hazard field, identify a safe landing site, and, in concert with an experimental Guidance, Navigation, and Control (GN&C) system, help to guide the Morpheus autonomous, rocket-propelled, free-flying lander to that safe site on the hazard field. The lidar sensors and GN&C system are part of the Autonomous Precision Landing and Hazard Detection and Avoidance Technology (ALHAT) project which has been seeking to develop a system capable of enabling safe, precise crewed or robotic landings in challenging terrain on planetary bodies under any ambient lighting conditions. The 3-D imaging Flash Lidar is a second generation, compact, real-time, aircooled instrument developed from a number of components from industry and NASA and is used as part of the ALHAT Hazard Detection System (HDS) to scan the hazard field and build a 3-D Digital Elevation Map (DEM) in near-real time for identifying safe sites. The Flash Lidar is capable of identifying a 30 cm hazard from a slant range of 1 km with its 8 cm range precision (1-s). The Flash Lidar is also used in Hazard Relative Navigation (HRN) to provide position updates down to a 250m slant range to the ALHAT navigation filter as it guides Morpheus to the safe site. The Navigation Doppler Lidar (NDL) system has been developed within NASA to provide velocity measurements with an accuracy of 0.2 cm/sec and range measurements with an accuracy of 17 cm both from a maximum range of 2,200 m to a minimum range of several meters above the ground. The NDLâ€"TM"s measurements are fed into the ALHAT navigation filter to provide lander guidance to the safe site. The Laser Altimeter (LA), also developed within NASA, provides range measurements with an accuracy of 5 cm from a maximum operational range of 30 km down to 1 m and, being a separate sensor from the Flash Lidar, can provide range along a separate vector. The LA measurements are also fed into the ALHAT navigation filter to provide lander guidance to the safe site. The flight tests served as the culmination of the TRL 6 journey for the ALHAT system and included launch from a pad situated at the NASA-Kennedy Space Center Shuttle Landing Facility (SLF) runway, a lunar-like descent trajectory from an altitude of 250m, and landing on a lunar-like hazard field of rocks, craters, hazardous slopes, and safe sites 400m down-range just off the North end of the runway. The tests both confirmed the expected performance and also revealed several challenges present in the flight-like environment which will feed into future TRL advancement of the sensors. Guidance provided by the ALHAT system was impeded in portions of the trajectory and intermittent near the end of the trajectory due to optical effects arising from air heated by the rocket engine. The Flash Lidar identified hazards as small as 30 cm from the maximum slant range of 450 m which Morpheus could provide; however, it was occasionally susceptible to an increase in range noise due to scintillation arising from air heated by the Morpheus rocket engine which entered its Field-of-View (FOV). The Flash Lidar was also susceptible to pre-triggering, during the HRN phase, on a dust cloud created during launch and transported down-range by the wind. The NDL provided velocity and range measurements to the expected accuracy levels yet it was also susceptible to signal degradation due to air heated by the rocket engine. The LA, operating with a degraded transmitter laser, also showed signal attenuation over a few seconds at a specific phase of the flight due to the heat plume generated by the rocket engine.

Roback, V. Eric↗
NASA NTRS2015

Lidar Sensor Performance in Closed-Loop Flight Testing of the Morpheus Rocket-Propelled Lander to a Lunar-Like Hazard Field

For the first time, a suite of three lidar sensors have been used in flight to scan a lunar-like hazard field, identify a safe landing site, and, in concert with an experimental Guidance, Navigation, and Control (GN&C) system, guide the Morpheus autonomous, rocket-propelled, free-flying test bed to a safe landing on the hazard field. The lidar sensors and GN&C system are part of the Autonomous Precision Landing and Hazard Detection and Avoidance Technology (ALHAT) project which has been seeking to develop a system capable of enabling safe, precise crewed or robotic landings in challenging terrain on planetary bodies under any ambient lighting conditions. The 3-D imaging flash lidar is a second generation, compact, real-time, air-cooled instrument developed from a number of cutting-edge components from industry and NASA and is used as part of the ALHAT Hazard Detection System (HDS) to scan the hazard field and build a 3-D Digital Elevation Map (DEM) in near-real time for identifying safe sites. The flash lidar is capable of identifying a 30 cm hazard from a slant range of 1 km with its 8 cm range precision at 1 sigma. The flash lidar is also used in Hazard Relative Navigation (HRN) to provide position updates down to a 250m slant range to the ALHAT navigation filter as it guides Morpheus to the safe site. The Doppler Lidar system has been developed within NASA to provide velocity measurements with an accuracy of 0.2 cm/sec and range measurements with an accuracy of 17 cm both from a maximum range of 2,200 m to a minimum range of several meters above the ground. The Doppler Lidar's measurements are fed into the ALHAT navigation filter to provide lander guidance to the safe site. The Laser Altimeter, also developed within NASA, provides range measurements with an accuracy of 5 cm from a maximum operational range of 30 km down to 1 m and, being a separate sensor from the flash lidar, can provide range along a separate vector. The Laser Altimeter measurements are also fed into the ALHAT navigation filter to provide lander guidance to the safe site. The flight tests served as the culmination of the TRL 6 journey for the lidar suite and included launch from a pad situated at the NASA-Kennedy Space Center Shuttle Landing Facility (SLF) runway, a lunar-like descent trajectory from an altitude of 250m, and landing on a lunar-like hazard field of rocks, craters, hazardous slopes, and safe sites 400m down-range just off the North end of the runway. The tests both confirmed the expected performance and also revealed several challenges present in the flight-like environment which will feed into future TRL advancement of the sensors. The flash lidar identified hazards as small as 30 cm from the maximum slant range of 450 m which Morpheus could provide, however, it was occasionally susceptible to an increase in range noise due to heated air from the Morpheus rocket plume which entered its Field-of-View (FOV). The flash lidar was also susceptible to pre-triggering on dust during the HRN phase which was created during launch and transported by the wind. The Doppler Lidar provided velocity and range measurements to the expected accuracy levels yet it was also susceptible to signal degradation due to air heated by the rocket engine. The Laser Altimeter, operating with a degraded transmitter laser, also showed signal attenuation over a few seconds at a specific phase of the flight due to the heat plume generated by the rocket engine.

Roback, Vincent E.↗
DOE OSTI2025

Spatially Enhanced Electrostatic Doping in Graphene Realized via Heterointerfacial Precipitated Metals

Forming heavily-doped regions in 2D materials, like graphene, is a steppingstone to the design of emergent devices and heterostructures. Here, a selective-area approach is presented to tune the work-function and carrier density in monolayer graphene by spatially synthesizing sub-monolayer gallium beneath the 2D-solid. The localized metallic gallium is formed via precipitation from an underlying diamond-like carbon (DLC) film that is spatially implanted with gallium-ions. By controlling the interfacial precipitation process with annealing temperature, spatially precise ambipolar tuning of the graphene work-function is achieved, and the tunning effect preserved upon cooling to ambient conditions. Consequently, charge carrier densities from ≈1.8 × 10 10 cm -2 (hole-doped) to ≈7 × 10 13 cm -2 (electron-doped) are realized, confirmed by in situ and ex situ measurements. The theoretical studies corroborated the role of gallium at the heterointerface on charge transfer and electrostatic doping of the graphene overlayer. Specifically, sub-monolayer gallium facilitates heavy n-doping in graphene. Extending this doping strategy to other implantable elements in DLC provides a new means of exploring the physics and chemistry of highly-doped 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Dichotomy of flat bands in the van der Waals ferromagnet Fe 5 ⁢GeTe 2

Quantum materials with bands of narrow bandwidth near the Fermi level represent a promising platform for exploring a diverse range of fascinating physical phenomena, as the high density of states within the small energy window often enables the emergence of many-body physics. On one hand, flat bands can arise from strong Coulomb interactions that localize atomic orbitals. On the other hand, quantum destructive interference can quench the electronic kinetic energy. Although both have a narrow bandwidth, the two types of flat bands should exhibit very distinct spectral properties arising from their distinctive origins. So far, the two types of flat bands have only been realized in very different material settings and chemical environments, preventing a direct comparison. Here, in this study, we report the observation of the two types of flat bands within the same material system—an above-room-temperature van der Waals ferromagnet, Fe 5−x GeTe 2 , distinguishable by a switchable iron site order. The contrasting nature of the flat bands is also identified by the remarkably distinctive temperature evolution of the spectral features, indicating that one arises from electron correlations in the Fe(1) site-disordered phase, while the other geometrical frustration in the Fe(1) site-ordered phase. Our results therefore provide a direct juxtaposition of the distinct formation mechanism of flat bands in quantum materials and an avenue for understanding the distinctive roles flat bands play in the presence of magnetism, topology, and lattice geometrical frustration, utilizing sublattice ordering as a key control parameter.

Wu, Han [Rice Univ., Houston, TX (United States)] ↗
DOE OSTI2023

Improving snow albedo modeling in the E3SM land model (version 2.0) and assessing its impacts on snow and surface fluxes over the Tibetan Plateau

With the highest albedo of the land surface, snow plays a vital role in Earth's surface energy budget and water cycle. Snow albedo is primarily controlled by snow grain properties (e.g., size and shape) and light-absorbing particles (LAPs) such as black carbon (BC) and dust. The mixing state of LAPs in snow also has impacts on LAP-induced snow albedo reduction and surface radiative forcing (RF). However, most land surface models assume that snow grain shape is spherical and LAPs are externally mixed with the snow grains. This study improves the snow radiative transfer model in the Energy Exascale Earth System Model version 2.0 (E3SM v2.0) Land Model (ELM v2.0) by considering non-spherical snow grain shapes (i.e., spheroid, hexagonal plate, and Koch snowflake) and internal mixing of dust–snow, and it systematically evaluates the impacts on the surface energy budget and water cycle over the Tibetan Plateau (TP). A series of ELM simulations with different treatments of snow grain shape, mixing state of BC–snow and dust–snow, and sub-grid topographic effects (TOP) on solar radiation are performed. Compared with two remote sensing snow products derived from the Moderate Resolution Imaging Spectroradiometer, the control ELM simulation (ELM_Control) with the default configurations of spherical snow grain shape, internal mixing of BC–snow, external mixing of dust–snow, and without TOP as well as the ELM simulation with new model features (ELM_New) can both capture the overall snow distribution reasonably. Additionally, ELM_New overall shows smaller biases in snow cover fraction than ELM_Control in spring when snowmelt is important for water management. The estimated LAP-induced RF in ELM_New ranges from 0 to 19.3 W m -2 with the area-weighted average value of 1.5 W m -2 that is comparable to the reported values in existing studies. The Koch snowflake shape, among other non-spherical shapes, shows the largest difference from the spherical shape in spring when snow processes related to the surface energy budget and water cycle have high importance. The impacts of the mixing state of LAP in snow are smaller than the shape effects and depend on snow grain shape. Compared to external mixing, internal mixing of LAP–snow can lead to larger snow albedo reduction and snowmelt, which further affect the surface energy budget and water cycle. The individual contributions of non-spherical snow shape, mixing state of LAP–snow, and local topography impacts on the snow and surface fluxes have different signs and magnitudes, and their combined effects may be negative or positive due to complex and nonlinear interactions among the factors. Overall, the changes in net solar radiation in spring due to individual and combined effects range from -28.6 to 16.9 W m -2 and -29.7 to 12.2 W m -2 , respectively. This study advances understanding of the role of snow grain shape and mixing state of LAP–snow in land surface processes and offers guidance for improving snow simulations and RF estimates in Earth system models under climate change.

58 GEOSCIENCES↗
DOE OSTI1989

Nuclear Safety [Vol. 30, No. 3, July-September 1989]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 325 Safety of Framatome Advanced Nuclear Steam Supply Systems Designs by J. A. Charles and D. Lange, 333 Book Review of Nuclear Accidents: Intervention Levels for the Protection of the Public by H. B. Piper; ACCIDENT ANALYSIS: 335 Living PRA Computer Systems by S. C. Dinsmore and H.-P. Balfanz, 343 Summary of ICAP Assessments of RELAP5/MOD2 by W. E. Driskell and R. G. Hanson; CONTROL AND INSTRUMENTATION: 352 Thermal Performance Monitoring System at Maanshan Nuclear Power Plant by H.-J. Chao, Y.-P. Lin, G.-H. Jou, L.-Y. Liao, and Y.-B. Chen; DESIGN FEATURES: 358 Warning Systems for Nuclear Power Plant Emergencies by J. H. Sorensen and D. S. Mileti; WASTE AND SPENT FUEL MANAGEMENT: 371 Activities Related to Waste Management Compiled by E G. Silver; OPERATING EXPERIENCES: 382 Steam Generator Tube Performance: Experience with Water-Cooled Nuclear Power Reactors During 1985 by O. S. Tatone and R. L. Tapping, 400 Systems Interaction Analyses: Concepts and Techniques (Part II) by M. D. Muhlheim and G. A. Murphy, 413 Reactor Shutdown Experience Compiled by J. W. Cletcher, 416 Operating U.S. Power Reactors Compiled by E G. Silver; RECENT DEVELOPMENTS: 440 General Administrative Activities Compiled by E G. Silver, 460 Reports, Standards, and Safety Guides by D. S. Queener, 466 Status of Power-Reactor Licensing Activities Compiled by E G. Silver, 470 Proposed Rule Changes as of Mar. 31, 1989; ANNOUNCEMENTS: 334 Proceedings Published, 351 CEC Seminar on Methods and Codes for Assessing the Off-Site Consequences of Nuclear Accidents, 357 Short Course on Multiphase Flow and Heat Transfer: Bases and Applications in A: The Nuclear Power Industry B: The Process Industries, 357 International Conference on Probabilistic Safety Assessment and Management, 478 International Topical Meeting on the Safety, Status, and Future of Non-Commercial Reactors and Irradiation Facilities, 475 The Authors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Photonic ring resonator notch filters for astronomical OH line suppression

Photonic ring resonator arrays used as notch filters are a promising novel solution to improve the signal-to-noise ratio of ground-based astronomical observations by suppressing OH emission lines in the near-infrared (NIR) wavelength range (0.9-2.5 μm). We aim to fabricate a series of ring resonators connected by a waveguide, each with its resonance wavelength and full-width-half-maximum (FWHM) matched with one of the OH emission lines. The fundamental structure of ring resonator-based notch filters is a ring resonator evanescently coupled to a waveguide. Due to the optical loss of the ring resonator, the transmission of light through the waveguide will be suppressed at the resonance wavelength of the ring resonator. The degree of suppression can be controlled by varying the coupling strength between the waveguide and the ring resonator, while the resonance wavelength can be controlled by the geometry and size of the ring. However, since a single ring resonator has multiple modes each with a different wavelength separated by its free spectral range (FSR), the additional suppression at other wavelengths may undermine the signal. Therefore, the ideal FSR off the ring resonators needs to be larger than the measurement window. For this application, we aim the FSR to be 1 larger than 30 nm . Our initial measurement results revealed two major challenges for this application. First, the FSR of the ring resonators is limited by the bending loss of ring resonators. In a standard 220 nm silicon-on-insulator material platform, the FSR of ring resonators cannot exceed 30 nm; Second, due to the wafer thickness variation and fabrication inaccuracy, the achievable accuracy in the resonance wavelength of a fabricated single ring resonator is only ~1.5 nm. In this work, we report our novel solutions to the above two challenges. For the first one, we have developed a novel structure based on the Vernier effect to greatly raise the FSR of ring resonators. Serially coupled Vernier ring structures is a typical approach to increase the FSR without encountering bending loss, but it requires restrictive matching of the coupling and optical loss of the rings and any imperfect matching can result in even noisier signals. On the contrary, our structure, as shown in shown in Fig. 1, does not require the restrictive matching. The signals of two output ports in our structure marked in Fig. 1 will be added together to form the final output signal, and Fig. 2 shows the finite-difference time-domain (FDTD) simulation results of the final output signal. As can be seen, the FSR of the entire structure is well-beyond 60 nm with little noise at other wavelengths. For the second one, we have developed an easy-to-implement method to permanently tune the resonance wavelengths of ring resonators within 0.1 nm accuracy. The tuning mechanism is based on the property of hydrogen silsesquioxane (HSQ) resist. As a negative tone electron beam resist, HSQ upon exposure will cross-link and eventually form SiO2. The refractive 2 index of HSQ resist and formed SiO2 are slightly different , enabling the tuning. By having a thin layer of HSQ resist on top of ring resonator structures followed by SiO2 cladding, the resonance wavelengths of ring resonators can be post-tuned Advances in Optical Astronomical Instrumentation 2019, edited by Simon Ellis, Céline d'Orgeville, Downloaded From: https://www.spiedigitallibrary.org/conference-proceedings-of-spie on 23 Sep 2020 Terms of Use: https://www.spiedigitallibrary.org/terms-of-use through electron beam exposure. We have found that, within 5 nm tuning range, the resonance wavelength shift and dosage applied obeys a linear relationship. So a simple calibration beforehand can result in resonance wavelength tuning within 0.1 nm accuracy. The transmission spectra of a 3-ring device before and after tuning is shown in Fig. 3.

Astronomical optics↗
DOE OSTI2025

Demonstration of Utility Managed Smart Charging for Multiple Benefit Streams (Final Report)

In the summer of 2020, the U.S. Department of Energy (DOE) awarded funding to Exelon’s Maryland utilities—Baltimore Gas and Electric (BGE), Delmarva Power & Light (DPL), and Potomac Electric Power Company (Pepco)—to implement the Smart Charge Management (SCM) pilot. This initiative aimed to design and implement managed electric vehicle (EV) charging strategies, evaluate the grid impacts of EV charging, and assess the utilities' ability to control EV load based on real-time grid conditions. The SCM pilot explored four aspects for continued improvement: (1) cybersecurity and managed charging functionality testing of two vendor platforms—WeaveGrid (telematics-based) and Shell Recharge Solutions (network-based)—which pursued charge scheduling and optimization through distinct approaches; (2) an analysis by Argonne National Laboratory (ANL) modeling team of three potential SCM enrollment scenarios within BGE and Pepco service territories over the next decade to assess future scalability; (3) employing customer engagement strategies, including surveys and a responsive pricing approach; and (4) the launch and implementation of pilots in Exelon’s Maryland territories in collaboration with WeaveGrid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRSDate not supplied

Some Aeronautical Communications Experiments

Classically there has existed an asymmetry between the computing and communicating sides of aerospace systems. Over the past few decades, this asymmetry has shifted to favoring communication link technologies, meaning that advancements in available central processing units (CPUs), storage devices, and internal data buses have stagnated. Indeed, the increased emphasis placed on refining subsystem performance such as with antenna bandwidth in phased arrays, amplifier power efficiency, software defined radio (SDR) flexibility and encoding for data compression and error correction has given rise to successful debuts of multi-gigabit-per-second data return from long space-link distances. These accomplishments are easily quantifiable through link budgets and illustrate what is possible, but also reveal the deficiencies in overall communications capabilities. In particular, the ever-accelerating presence of aerospace vehicles gives rise to newer and larger classes of challenges to address the needs of 21st century systems. Furthermore remote sensing and imaging capabilities have far outpaced our ability to transmit their products to the ground, so we are increasingly dependent on pre-processing and downselection to contend with the communications bottleneck. No longer may we depend upon the constrained logistics in delivering end-to-end data delivery through manual reconfigurations, static event scheduling and execution on a per-vehicle basis, for these methods do not scale and therefore must give way to dynamic, networked approaches with an overall systems view in mind. Emerging mission requirements exhibit a trend toward multiple smaller-scale vehicles working together to perform dissimilar observations. Such operations necessitate sensor fusion across a constellation, and where data processing may be distributed throughout a fairly disconnected network whose topology changes over time in non-deterministic manners. Individual communications link performance is still very relevant to deploying an effective communications system, but now must be embedded within a greater architecture of capability to optimally utilize the bandwidth available from each link to generate an ultimate end-to-end quality of service. The deleterious effects of timing uncertainty across the arrangement presents a challenge to measurement synchronization and delivery, so a successful deployed system needs to be tolerant to the delays inherent in time-of-light between elements and digital processing latencies existing at each node. In this presentation we share the flight test results from a high performance Gbps laser communications terminal evaluated with a suite of store and forward capabilities called High-rate Delay Tolerant Networking (HDTN). The communications payload is operated over Lake Erie across a range of configurations including several convergence layers, and is evaluated to determine recovery time after link disruptions, information loss, efficiency and speed. The effectiveness of utilizing a flying laboratory to increase the Technology Readiness Level (TRL) of an integrated system in relevant environments is discussed, as well as the value of conducting aeronautics experiments to retire risk for technology infusion into space missions. Upcoming flight campaigns will be presented, including opportunities to demonstrate secure command and control, data intensive hyperspectral imaging, quantum link characterization, 4k High Definition (HD) video streaming and internetworked space-ground-aero relay operations. These experiments will pave the way for future missions which will depend upon interoperability across disparate government and privately owned networks, involve contention with uncertain and dynamic timing, and require agility to autonomously configure optimal parameters across networks of ever-increasing size and complexity to ensure data delivery. https://www1.grc.nasa.gov/space/scan/acs/tech-studies/dtn/

Daniel Raible↗
DOE OSTI2025

The role of the droplet interface in controlling the multiphase oxidation of thiosulfate by ozone

Predicting reaction kinetics in aqueous microdroplets, including aerosols and cloud droplets, is challenging due to the probability that the underlying reaction mechanism can occur both at the surface and in the interior of the droplet. Additionally, few studies directly measure the surface activities of doubly charged anions, despite their prevalence in the atmosphere. Here, deep-UV second harmonic generation spectroscopy is used to probe surface affinities of the doubly charged anions thiosulfate, sulfate, and sulfite, key species in the thiosulfate ozonation reaction mechanism. Thiosulfate has an appreciable surface affinity with a measured Gibbs free energy of adsorption of -7.3 ± 2.5 kJ mol -1 in neutral solution, while sulfate and sulfite exhibit negligible surface propensity. The Gibbs free energy is combined with data from liquid flat jet ambient pressure X-ray photoelectron spectroscopy to constrain the concentration of thiosulfate at the surface in our model. Stochastic kinetic simulations leveraging these novel measurements show that the primary reaction between thiosulfate and ozone occurs at the interface and in the bulk, with the contribution of the interface decreasing from ~65% at pH 5 to ~45% at pH 13. Additionally, sulfate, the major product of thiosulfate ozonation and an important species in atmospheric processes, can be produced by two different pathways at pH 5, one with a contribution from the interface of >70% and the other occurring predominantly in the bulk (>98%). The observations in this work have implications for mining wastewater remediation, atmospheric chemistry, and understanding other complex reaction mechanisms in multiphase environments. Future interfacial or microdroplet/aerosol chemistry studies should carefully consider the role of both surface and bulk chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗