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At least 379 records · Page 21

Modernization of Technical Requirements for Licensing of Advanced Non-Light Water Reactors: Safety Classification and Performance Criteria for Structures, Systems, and Components

This report, “Modernization of Technical Requirements for Licensing of Advanced Non-Light Water Reactors: Safety Classification and Performance Criteria for Structures, Systems and Components,” represents a key element in the development of a framework for the efficient licensing of advanced non-Light Water Reactors (non-LWRs). It is the result of a Licensing Modernization Project (LMP) led by Southern Company and cost-shared by the United States Department of Energy (DOE).

42 ENGINEERING↗

Modernization of Technical Requirements for Licensing of Advanced Non-Light Water Reactors: Selection and Evaluation of Licensing Basis Events

This report, “Modernization of Technical Requirements for Licensing of Advanced Non-Light Water Reactors: Selection and Evaluation of Licensing Basis Events,” represents a key element in the development of a methodology for the efficient licensing of advanced non-light water reactors (non-LWRs). It is the result of a Licensing Modernization Project (LMP) led by Southern Company and cost-shared by the U.S. Department of Energy (DOE). The LMP will result in detailed proposals for establishing licensing technical requirements to facilitate risk-informed and performance-based design and licensing of advanced non-LWRs. Such a methodology acknowledges enhancements in safety achievable with advanced designs and reflects more recent states of knowledge regarding safety and design innovation, creating an opportunity for reduced regulatory complexity with increased levels of safety. The project builds on best practices as well as previous activities through DOE and industry-sponsored advanced reactor licensing initiatives.

42 ENGINEERING↗

Modernization of Technical Requirements for Licensing of Advanced Non-Light Water Reactors: Probabilistic Risk Assessment Approach

This report, “Modernization of Technical Requirements for Licensing of Advanced Non-Light Water Reactors: Probabilistic Risk Assessment Approach,” represents a key element in the development of a methodology for the efficient licensing of advanced non-light water reactors (non-LWRs). It is the result of a Licensing Modernization Project (LMP) led by Southern Company and cost-shared by the U.S. Department of Energy (DOE). The LMP has developed detailed proposals for establishing licensing technical requirements to facilitate risk-informed and performance-based design and licensing of advanced non-LWRs. Such a methodology acknowledges enhancements in safety achievable with advanced designs and reflects more recent states of knowledge regarding safety and design innovation, creating an opportunity for reduced regulatory complexity with increased levels of safety. The project builds on best practices, as well as previous activities through DOE and industry-sponsored advanced reactor licensing initiatives.

42 ENGINEERING↗

Elucidation of complex triplet excited state dynamics in Pd(ii) biladiene tetrapyrroles

Pd(II) biladienes have been developed over the last five years as non-aromatic oligotetrapyrrole complexes that support a rich triplet photochemistry. In this work, we have undertaken the first detailed photophysical interrogation of three homologous Pd(II) biladienes bearing different combinations of methyl- and phenyl-substituents on the frameworks’ sp 3 -hybridized meso-carbon (i.e., the 10-position of the biladiene framework). These experiments have revealed unexpected excited-state dynamics that are dependent on the wavelength of light used to excite the biladiene. More specifically, transient absorption spectroscopy revealed that higher-energy excitation (λ exc ~ 350–500 nm) led to an additional lifetime (i.e., an extra photophysical process) compared to experiments carried out following excitation into the lowest-energy excited states (λ exc = 550 nm). Each Pd(II) biladiene complex displayed an intersystem crossing lifetime on the order of tens of ps and a triplet lifetime of ~20 μs, regardless of the excitation wavelength. However, when higher-energy light is used to excite the complexes, a new lifetime on the order of hundreds of ps is observed. The origin of the ‘extra’ lifetime observed upon higher energy excitation was revealed using density functional theory (DFT) and time-dependent DFT (TDDFT). These efforts demonstrated that excitation into higher-energy metal-mixed-charge-transfer excited states with high spin–orbit coupling to higher energy metal-mixed-charge-transfer triplet states leads to the additional excitation deactivation pathway. Furthermore, the results of this work demonstrate that Pd(II) biladienes support a unique triplet photochemistry that may be exploited for development of new photochemical schemes and applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The role of catalyst acidity and microstructure on light olefin selectivity in polyethylene deconstruction in short contact time pulse Joule-heated reactors

The growing volume of plastics waste, compounded with a low recycling rate, has led to an alarming amount of plastics ending up in landfills or being incinerated. While pyrolysis offers a route for plastic waste deconstruction, its product distribution is often broad and poorly controlled due to unselective radical chemistry at high temperatures. We recently demonstrated that rapid pulse Joule-heated catalytic cracking over HZSM-5, combined with small fractions of steam, can achieve high selectivity (>80 %) toward C 2 -C 4 olefins, while significantly reducing coking compared to continuous Joule heating. Here, we investigate how acid catalyst properties, such as silica/alumina ratio, zeolite topology, and catalyst porosity, influence light olefin selectivity during polyethylene deconstruction via rapid pulse Joule heating. We demonstrate that silica-to-alumina ratios of ∼30 yield high light olefin selectivity, and small-pore zeolites favor light olefins at the expense of increased coke formation. To mitigate coking, we synthesize HZSM-5 nanosheets and hierarchical zeolites (MFI, FAU, and CHA). Furthermore, these catalysts achieve an ethylene selectivity of approximately 35 %, a twofold increase over prior catalytic pyrolysis. Additionally, co-feeding steam and incorporating hierarchical porosity reduce coke formation and enhance catalyst stability.

Catalytic cracking↗

Incident excitation effects on ZnO-based photoluminescence

Zinc oxide (ZnO) is an attractive semiconductor material owing to a wide band gap, large exciton binding energy, and strong luminescent properties. Two distinct spectral regions are present in the room temperature emission of this material: a narrow line in the UV/near-UV region that is excitonic in nature and a lower energy broad emission band centered in the green/yellow region. Commercially available ZnO particles containing excess Zn and oxygen vacancy defect sites (referred to as ZnO:Zn) were excited using three light sources to study different radiative recombination regimes of the as-received powders. First, a UV LED at a center wavelength of 365 nm provided low irradiance (0.02–0.08 W/cm 2 ) with varying pulse widths (continuous operation to 16 ns). Second, the third harmonic of a pulsed Nd:YAG laser provided high irradiances (∼10 4 –10 6 W/cm 2 ) at a fixed nominal pulse width of 5 ns. Finally, a continuous polychromatic synchrotron X-ray source was also used to excite the ZnO:Zn powders. During UV LED excitation, a low number of carriers are created in the material, leading to an anticipated linear relationship between luminescence and irradiance. This held true for defect luminescence; however, there was an observed enhancement of exciton emission relative to the UV LED intensity as the pulse width was decreased, independent of irradiance. During UV laser excitation, the number of carriers was significantly increased, raising the material into a bimolecular recombination regime, which produced exciton emission much stronger than visible band emission. Finally, spectra obtained during synchrotron X-ray excitation, whose continuous illumination and higher penetration depth yielded higher emission from defect sites relative to exciton emission. A redshift in the exciton emission was also observed as excitation pulse width and sample temperature were varied, and is discussed.

Westphal, Eric Robert [Sandia National Lab. (SNL-N↗

Materials for the biorefinery: high bio-content, shape memory Kraft lignin-derived non-isocyanate polyurethane foams using a non-toxic protocol

Polyurethanes are among the top six polymers produced in the world and are widely used in the automotive, furniture, construction and appliance industry for their light weight, impact resistance, and insulating properties. However, the use of hazardous diisocyanates used in polyurethane formulations has led many to search for more sustainable alternatives. The lignin component of biomass has been targeted to replace the often toxic and petroleum-derived precursors to polymer synthesis in support of the biorefinery concept where natural materials are used as the feedstock for commodity plastics. The use of lignin is often hampered due to its low reactivity, heterogeneity and the necessity of employing extensive purification and/or functionalization measures to ensure materials are of comparable quality. In this report, a unique method is presented for the synthesis and processing of a non-toxic, non-isocyanate polyurethane foam utilizing unmodified Kraft lignin and a biobased curing agent. Here, raw Kraft lignin is functionalized with green organic carbonates and a non-toxic approach is taken to solubilize the precursors with a curing agent from renewable fatty acids enabling rapid gel-times. For the first time, a NIPU foam from lignin is synthesized while the structure–property relationship of different reaction mixtures is studied demonstrating shape memory capacity and 100% biobased carbon content.

36 MATERIALS SCIENCE↗

Modeling Savings for ENERGY STAR Smart Home Energy Management Systems

The objective of this study was to develop a repeatable and defensible methodology to analyze the energy savings for Home Energy Management Systems (HEMS) that meets the minimum requirements for certification under ENERGY STAR ® Smart Home Energy Management System (SHEMS) Version 1. Mandatory connected loads include a smart thermostat, two smart lights, and one smart power strip or smart outlet. Control strategies must include feedback to occupants through an in-home display, user programming, occupancy sensor-based controls, and responsiveness to utility signals such as demand response programs. Several occupant behavior patterns were selected to quantify the range of energy savings potential for a HEMS with this basic functionality. A literature review was conducted to establish realistic room-by-room occupancy levels and usage patterns for connected devices. A series of event-driven hourly profiles were created, followed by adjustments based on application of HEMS control strategies to thermostats, interior lighting, and plug load schedules. EnergyPlus modeling was performed using these hourly schedules in three locations (Boston, Houston, and Phoenix) to examine climate dependence of energy savings. Total site energy savings ranged from 4.3 to 27.1 MBtu/year (7%-35%), and utility bill savings ranged from $\$$123 to $\$$670/year (6%-29%). The highest predicted savings was realized by occupants that were not energy conscious prior to HEMS installation, but highly engaged with the HEMS controls once the system was installed. The smart thermostat accounted for most of the savings, followed by the smart power strip. Smart lighting did not save a significant amount of energy in our analysis, based on an assumption that efficient LEDs with no standby power would normally be installed anyway.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Energy Optimization of Light and Heavy-Duty Vehicle Cohorts of Mixed Connectivity, Automation and Propulsion System Capabilities via Meshed V2V-V2I and Expanded Data Sharing (Final Scientific and Technical Report)

Vehicle connectivity and automated driving technologies individually have the potential to decrease energy consumption and/or increase safety on light, medium or heavy duty vehicles to varying degrees depending on the traffic infrastructure and specific driving scenarios. Due to advances in sensing, perception and computing power, research and development emphasis in the mobility sector has shifted away from connectivity. Prior research has shown that driving automation with the absence of connectivity can in certain circumstances increase energy consumption. The effectiveness of synergizing connectivity and driving automation technologies is the focus of this work, specifically applied to vehicle cohorts of mixed composition, light and heavy duty, and powertrains ranging from all electric to conventional internal combustion engine. The project team is led by Michigan Technological University (MTU) and partnered with AVL Mobility Technologies Inc. (AVL), Borg Warner (BW), Traffic Technology Services (TTS), American Center for Mobility (ACM) and Navistar (NAV). The main thrusts for the team are to develop a micro-traffic simulation environment with specific VD&PT system attributes and CAV capabilities, 2) field a vehicle test fleet of mixed classification, propulsion and CAV capacity, 3) develop artificial intelligence (AI) and machine learning (ML) based multi-agent optimization methods for various traffic infrastructures, 4) integrate the virtual environment and the optimization methods then deploy the system as a CAV hardware in the loop (HiL) for the vehicle test fleet and 5) conduct closed track and public road testing to validate simulation and demonstrated energy and mobility improvements at multiple scales. For a cohort of mixed vehicles, the team will demonstrate a reduction of energy consumption of 10-50% at intersection, arterial roadway and limited access highway scenarios through connectivity and automation in simulation and at a closed test track. The energy reduction objectives of the project are summarized in Table 1, indicating the infrastructure and over what distances are relevant considered. Single scenario energy reductions are not relevant and thus, the research team took the approach to vary parameters associated with the infrastructure, vehicle cohort composition and dynamic behavior to generate energy consumption distributions for both unconnected and connected scenarios.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Carrier confinement and alloy disorder exacerbate Auger–Meitner recombination in AlGaN ultraviolet light-emitting diodes

The quantum efficiency of AlGaN ultraviolet light-emitting diodes declines (droops) at increasing operating powers due to Auger–Meitner recombination (AMR). Using first-principles density-functional theory, we show that indirect AMR mediated by electron–phonon coupling and alloy disorder can induce bulk C coefficients as large as ~10 –31 cm 6 /s. Furthermore, we find that the confinement of carriers by polarization fields within quantum wells severely relaxes crystal-momentum conservation, which exacerbates the rate of AMR over radiative recombination by an order of magnitude relative to the bulk. Furthermore, this results in a striking decrease in quantum efficiency at high power. Suppressing polarization fields and jointly increasing the well width would greatly mitigate AMR and efficiency droop.

36 MATERIALS SCIENCE↗

Progress and Application of Halide Perovskite Materials for Solar Cells and Light Emitting Devices

Halide perovskite materials have attracted worldwide attention in the photovoltaic area due to the rapid improvement in efficiency, from less than 4% in 2009 to 26.1% in 2023 with only a nanometer lever photo-active layer. Meanwhile, this nova star found applications in many other areas, such as light emitting, sensor, etc. This review started with the fundamentals of physics and chemistry behind the excellent performance of halide perovskite materials for photovoltaic/light emitting and the methods for preparing them. Then, it described the basic principles for solar cells and light emitting devices. It summarized the strategies including nanotechnology to improve the performance and the application of halide perovskite materials in these two areas: from structure–property relation to how each component in the devices affects the overall performance. Moreover, this review listed the challenges for the future applications of halide perovskite materials.

36 MATERIALS SCIENCE↗

Triplet Photosensitized para -Hydrogen Induced Polarization

Despite its enormous utility in structural characterization, nuclear magnetic resonance (NMR) spectroscopy is inherently limited by low spin polarization. One method to address the low polarization is para-hydrogen (p-H 2 ) induced polarization (PHIP) which uses the singlet spin isomer of H 2 to generate disparate nuclear spin populations to amplify the associated NMR signals. PHIP often relies on thermal catalysis or, more infrequently, UV-activated catalytic hydrogenation. Light-activated hydrogenation enables direct and timed control over the hyperpolarization of target substrates, critical for identifying short-lived intermediates. Here, we use an established Ir(III) triplet photosensitizer (PS) to visible light sensitize the triplet ligand-field states in the d6-transition metal dihydride Ru(CO)(PPh 3 ) 3 (H) 2 (1). Excitation inside a 9.4 T NMR spectrometer with the PS and a 420 nm blue LED, under 3 atm of p-H 2 , successfully photosensitized hyperpolarization in 1 and in a range of unsaturated substrates at and below room temperature, up to 1630-fold. In otherwise identical experimental conditions without light activation, no polarization was realized in 1 or the substrates evaluated. We believe triplet-sensitized PHIP (Trip- PHIP) represents a facile experimental means for probing triplet sensitized light activation in transition metal catalysts possessing low-lying triplet ligand-field states, providing mechanistic insight of potentially tremendous value in chemical catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Attributing differences of solar-induced chlorophyll fluorescence (SIF)-gross primary production (GPP) relationships between two C4 crops: corn and miscanthus

There remains limited information to characterize the solar-induced chlorophyll fluorescence (SIF)-gross primary production (GPP) relationship in C4 cropping systems. The annual C4 crop corn and perennial C4 crop miscanthus differ in phenology, canopy structure and leaf physiology. Investigating the SIF-GPP relationships in these species could deepen our understanding of SIF-GPP relationships within C4 crops. Using in situ canopy SIF and GPP measurements for both species along with leaf-level measurements, we found considerable differences in the SIF-GPP relationships between corn and miscanthus, with a stronger SIF-GPP relationship and higher slope of SIF-GPP observed in corn compared to miscanthus. These differences were mainly caused by leaf physiology. For miscanthus, high non-photochemical quenching (NPQ) under high light, temperature and water vapor deficit (VPD) conditions caused a large decline of fluorescence yield (Φ F ), which further led to a SIF midday depression and weakened the SIF-GPP relationship. The larger slope in corn than miscanthus was mainly due to its higher GPP in mid-summer, largely attributed to the higher leaf photosynthesis and less NPQ. Furthermore, our results demonstrated variation of the SIF-GPP relationship within C4 crops and highlighted the importance of leaf physiology in determining canopy SIF behaviors and SIF-GPP relationships.

54 ENVIRONMENTAL SCIENCES↗

Evaluation of PBR Spent Fuel Criticality and Dose Rate Compliance for Storage and Transportation

Spent tri-structural isotropic (TRISO)–based fuels have a strong track record in storage and transportation without documented incidents. This work seeks to reduce uncertainty to aid in more informed spent fuel management of TRISO-based fuels by modeling both fresh and spent pebble bed reactor (PBR) fuel and comparing the results to the regulatory standards from 10 CFR 71. SCALE was used for all modeling due to it having fast and accurate methods for handling PBR fuel modeling, as well as having an efficient method for shielding calculations in monaco with automated variance reduction using importance calculations (MAVRIC), which utilizes the consistent adjoint-driven importance sampling (CADIS) and the forward-weighted consistent adjoint-driven importance sampling (FW-CADIS) methods. KENO-VI was used for all criticality calculations, TSUNAMI was used for uncertainty quantification on k-effective, TRITON and the Oak Ridge isotope generation code (ORIGEN) were both used for depletion of the fuel, and MAVRIC was used for shielding calculations. For criticality assessments, this study focused on the requirement that the value of the neutron multiplication factor, k-effective (k-eff), would not exceed a peak value of 0.95, including uncertainty, with 95% confidence. Criticality was initially examined by modeling fresh fuel from three different designs—HTR-10 fuel, PBMR-400 fuel, and demonstration fuel representative of a TRISO-fueled modern high-temperature gas reactor (HTGR) design, henceforth referred to as Demo HTGR—and placing them into various sized containers with conditions described in 10 CFR 71 to quantify the peak k-eff state. When the peak value of 0.95 k-eff was exceeded, mitigation methods were examined in those scenarios. Burnup credit, pebble displacement in areas of strong neutron multiplication, and random pebble replacement using pebbles of various compositions and replacement fractions were examined. In summary, the criticality of PBR fuels can be well accounted for by restricting container size, taking credit for burnup, or by displacing/replacing pebbles. Uncertainty of the k-eff due to nuclear data uncertainties was recorded at ~0.6644%Δk/k, or roughly 664% mil (pcm). The nuclear data–induced uncertainty was relatively small and should not require significant modification in the design to be accounted for. Revisions to the evaluated nuclear data file values have been shown to have a larger impact than nuclear data–induced uncertainty. For dose rate aspects, U.S. Nuclear Regulatory Commission regulations require a maximum dose rate of 10 millirem per hour (mrem/h) at 2 meters. In examining the dose rate behavior of spent PBR fuel, the representative Demo HTGR fuel was modeled exclusively due to it possessing the highest target burnup of the examined fuels. Equilibrium cycle modeling methods were used to produce a higher-fidelity discharge isotopic composition than simple assumptions, such as reflected pebbles. The discharge composition was used as a source term in the fixed-source transport shielding calculations, and dose rates were calculated at 2 m for the shortest possible cooling time. The low concentration of fuel material led to dose rates that were in line with regulatory limits, despite the high burnup when compared to traditional light water reactor fuels. In conclusion, the methods employed in this study would require more work to further verify and validate and are limited to the criticality and dose rate analyses performed.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Declines in ice cover are accompanied by light limitation responses and community change in freshwater diatoms

The rediscovery of diatom blooms embedded within and beneath the Lake Erie ice cover (2007–2012) ignited interest in psychrophilic adaptations and winter limnology. Subsequent studies determined the vital role ice plays in winter diatom ecophysiology as diatoms partition to the underside of ice, thereby fixing their location within the photic zone. Yet, climate change has led to widespread ice decline across the Great Lakes, with Lake Erie presenting a nearly “ice-free” state in several recent winters. It has been hypothesized that the resultant turbid, isothermal water column induces light limitation amongst winter diatoms and thus serves as a competitive disadvantage. To investigate this hypothesis, we conducted a physiochemical and metatranscriptomic survey that spanned spatial, temporal, and climatic gradients of the winter Lake Erie water column (2019–2020). Our results suggest that ice-free conditions decreased planktonic diatom bloom magnitude and altered diatom community composition. Diatoms increased their expression of various photosynthetic genes and iron transporters, which suggests that the diatoms are attempting to increase their quantity of photosystems and light-harvesting components (a well-defined indicator of light limitation). We identified two gene families which serve to increase diatom fitness in the turbid ice-free water column: proton-pumping rhodopsins (a potential second means of light-driven energy acquisition) and fasciclins (a means to “raft” together to increase buoyancy and co-locate to the surface to optimize light acquisition). With large-scale climatic changes already underway, our observations provide insight into how diatoms respond to the dynamic ice conditions of today and shed light on how they will fare in a climatically altered tomorrow.

54 ENVIRONMENTAL SCIENCES↗

Understanding and Manipulating Helical Nanofilaments in Binary Systems with Achiral Dopants

Here, in this paper, we report the relationship between helical pitch of the helical nanofilament (HNF) phase formed by bent-core molecule NOBOW and the concentration of achiral dopants 5CB and octane, using linearly polarized resonant soft X-ray scattering (RSoXS). Utilizing theory-based simulation, which fits well with the experiments, the molecular helices in the filament were probed and the superstructure of helical 5CB directed by groove of HNFs was observed. Quantitative pitch determination with RSoXS reveals that helical pitch variation is related to 5CB concentration with no temperature dependence. Doping rodlike immiscible 5CB led to a pitch shortening of up to 30%, which was attributed to a change in interfacial tension. By shedding light not only on phase behavior of binary systems but also enabling control over pitch length, our work may benefit various applications of HNF-containing binary systems, including optical rotation devices, circularly polarized light emitters, and chirality transfer agents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Resolution of 100 photons and quantum generation of unbiased random numbers

Macroscopic quantum phenomena, such as observed in superfluids and superconductors, have led to promising technological advancements and some of the most important tests of fundamental physics. At present, quantum detection of light is mostly relegated to the microscale, where avalanche photodiodes are very sensitive to distinguishing single-photon events from vacuum but cannot differentiate between larger photon-number events. Beyond this, the ability to perform measurements to resolve photon numbers is highly desirable for a variety of quantum information applications including computation, sensing, and cryptography. True photon-number resolving detectors do exist, but they are currently limited to the ability to resolve on the order of 10 photons, which is too small for certain proposals. In this work, we extend photon measurement into the mesoscopic regime by implementing a detection scheme based on multiplexing highly quantum-efficient transition-edge sensors to accurately resolve photon numbers between zero and 100. Further, we then demonstrate the use of our system by implementing a quantum random number generator with no inherent bias. This method is based on sampling a coherent state in the photon-number basis and is robust against environmental noise, phase and amplitude fluctuations in the laser, loss and detector inefficiency as well as eavesdropping. Beyond true random number generation, our detection scheme serves as a means to implement quantum measurement and engineering techniques valuable for photonic quantum information processing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The smallest fluid on earth

High energy heavy ion collisions create quark gluon plasmas that behave like almost perfect fluids. Very similar features to those that led to this insight have also been observed in experimental data from collisions of small systems, involving protons or other light nuclei. Here we describe recent developments aimed at understanding whether, and if so how, systems that produce relatively few particles (orders of magnitude less than in typical heavy ion collisions) and are only one to a few times the size of a proton, can behave like fluids. This involves a deeper understanding of fluid dynamics and its applicability, improvements of our understanding of the initial geometry of the collisions by considering fluctuations of the proton shape, as well as advancements in the calculation of initial state effects within an effective theory of quantum chromodynamics, which can affect the observables that are used to study fluid behavior. We further address open questions and discuss future directions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗