Concurrent Multiscale Methods for Flows at Extreme Conditions
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Computer science↗
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Uncovering Atomic;#8208;Scale Stability and Reactivity in Engineered Zinc Oxide Electrocatalysts for
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Daiyan, Rahman↗
Technical/ administrative options for managing tritium MCL exceedances in P-area groundwater and Steel Creek
This white paper was requested by the Core Team (United States Department of Energy [USDOE], United States Environmental Protection Agency [USEPA], and South Carolina Department of Health and Environmental Control [SCDHEC]) at the P-Area Groundwater (PAGW) Operable Unit (OU) Scoping Meeting held in January 2017 to discuss recent data and potential alternatives in support of a focused Corrective Measures Study/Feasibility Study (CMS/FS). This white paper presents an overview of the problem, and a range of technical and administrative options for addressing the tritium contamination in groundwater and Steel Creek. As tritium cannot be treated practicably, alternatives are limited to media transfer, containment and natural attenuation principally relying on radioactive decay. Using other groundwater OU decisions involving tritium as precedent, Savannah River Nuclear Solutions (SRNS) recommends that final tritium alternatives be evaluated in a CMS/FS, understanding that the likely preferred remedy will include natural attenuation with land use controls (LUCs). This is based on the inability to significantly reduce tritium impact to Steel Creek using an engineered solution as compared to natural attenuation. The timing of this evaluation could be conducted concurrently with the final remedy evaluation for volatile organic compounds (VOCs).
54 ENVIRONMENTAL SCIENCES↗
Special Considerations for the Removal and Disposal of Micro-Reactor Experiments
Idaho National Laboratory (INL) is preparing to host several microreactor experiments through 2030 and beyond. Two new test beds currently under development will operate as microreactor or nuclear system experiment user facilities. Test bed experiments will be performed in series, with each nuclear experiment installed, operated, and removed before installation of the subsequent experiment. The necessarily brief transition period between experiments introduces unique equipment removal and radioactive waste disposal challenges. This paper evaluates equipment removal and radioactive waste management topics associated with tight sequencing of nuclear experiments and presents some of the solutions and approaches currently planned to meet these special considerations for one such experiment, the Molten Chloride Reactor Experiment (MCRE), slated for operation at INL’s Laboratory for Operation and Testing in the United States (LOTUS). The MCRE project is a collaboration between Southern Company Services, TerraPower, and INL, among others, to provide integral nuclear data that will advance molten salt fast reactor technology. MCRE will be the first critical fast-spectrum circulating fuel system ever operated and the first experiment operated in the LOTUS test bed. The experiment will nominally operate at zero power with planned low power excursions as part of operational planning for MCRE has been to minimize at-power operations to limit fission product formation while still achieving experimental objectives. After the experiment is complete, MCRE will be allowed to radioactively decay for a short period (nominally 90 days) prior to system defueling, flushing, removal, and disposal of all MCRE equipment, readying the test bed for the next nuclear experiment. Equipment removal and radioactive waste disposal have been integral to MCRE project planning since the Cooperative Research and Development Agreement was formalized in 2021. Due to requirements for future use of the test bed, the MCRE system, of necessity, must be removed in a much shorter time frame than typical for historic reactor decommissioning projects at INL. This results in minimal time for radioactive decay, resulting in not only elevated radiation dose rates but also the presence of short-to-medium-lived isotopes not typically encountered in the reactor decommissioning and radioactive waste management space. Additional unique constraints placed on the project include lack of intrinsic remote-operations capabilities in the test bed, space constraints in the test bed once MCRE has been installed, and contamination minimization requirements to return the test bed to as-found conditions to enable future use. This paper discusses planned solutions to these challenges. Approaches for implementing remote or semi-remote technologies in a non-hot cell environment with limited space availability are discussed. The paper also summarizes the systems engineering approach for concept development and design of equipment removal systems, which are being implemented concurrent with the MCRE design phase, providing feedback to system designers to incorporate features enabling efficient and safe equipment removal approaches. The timing of this paper at a relatively early phase of the project is meant to highlight the importance of early planning for nuclear system decommissioning while reactor design is ongoing to allow design feedback on componentry driven from decommissioning system needs. As new, innovative nuclear reactor technologies enter the nuclear market sector, reactor experiments are crucial for providing new integral nuclear data that establish safe operational margins for technology advancement. Microreactor experiments at INL will require safe, effective, and timely decommissioning approaches, which in turn require nuclear systems designed to expedite decommissioning. In addition to the advancement of nuclear reactor technologies, these nuclear experiments provide an opportunity to demonstrate, deploy, and test new removal and disposal capabilities to support the next generation of nuclear reactor technology.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
The existence and impact of persistent ferroelectric domains in MAPbI 3
Methylammonium lead iodide (MAPbI 3 ) exhibits exceptional photovoltaic performance, but there remains substantial controversy over the existence and impact of ferroelectricity on the photovoltaic response. We confirm ferroelectricity in MAPbI 3 single crystals and demonstrate mediation of the electronic response by ferroelectric domain engineering. The ferroelectric response sharply declines above 57°C, consistent with the tetragonal-to-cubic phase transition. Concurrent band excitation piezoresponse force microscopy–contact Kelvin probe force microscopy shows that the measured response is not dominated by spurious electrostatic interactions. Large signal poling (>16 V/cm) orients the permanent polarization into large domains, which show stabilization over weeks. X-ray photoemission spectroscopy results indicate a shift of 400 meV in the binding energy of the iodine core level peaks upon poling, which is reflected in the carrier concentration results from scanning microwave impedance microscopy. As a result, the ability to control the ferroelectric response provides routes to increase device stability and photovoltaic performance through domain engineering.
14 SOLAR ENERGY↗
Recent Advances in Picochlorum renovo Strain Development
Microalgae are amongst the most efficient phototrophs for the reduction of CO2 to industrially relevant products and product intermediates. We have recently identified a novel species in the genus Picochlorum (Picochlorum renovo) that demonstrates high areal productivity (>30 g/m2/day), high temperature and salinity tolerances, and rapid growth rate (-2 hour doubling time): attributes essential for economically viable industrial scale deployment for low value commodities (e.g. fuel and chemical precursors). Following screening of >300 algal isolates to identify Picochlorum renovo, we developed baseline genetic tools necessary for genetic engineering of the nucleus and chloroplast, and further built upon these tools to establish a protein secretion system. We have also deployed genetic engineering tools to establish the utilization of phosphite as a selectable marker in the chloroplast and nuclear genomes, while concurrently acting as a potential crop protection strategy. We have further implemented these tools to enable the utilization of formate as a novel carbon source for phototroph cultivation. Explicitly, formate toxicity was assayed, followed by introduction of a formate dehydrogenase to allow formate utilization. Cultures supplemented with formate grew to a higher density when cultivated under ambient CO2, highlighting the potential for this strategy to increase growth. Additionally, we have established a synthetic transcription factor and core promoter system which lays the foundation for tunable, high expression engineering in the nuclear genome, and potentially can be applied for universal algal genetic engineering. Finally, current work has focused on direct photosynthetic production of chemicals, and generation of mutant libraries. Combined, our work has established a robust genetic toolbox for Picochlorum renovo, which we have deployed for strain development purposes to introduce biotechnologically relevant traits.
algae↗
Subscale maturation of advanced reactor technologies (SMART): A path forward for nuclear thermal propulsion fuel and reactor development
Nuclear Thermal Propulsion (NTP) systems are actively being developed for future crewed missions to Mars. NTP systems excel in missions where both high thrust and high specific impulse are required, but modern NTP systems currently do not have a Technology Readiness Level (TRL) high enough for use in crewed space exploration. TRLs are used to demonstrate the level of rigor with which a component/system has been tested/demonstrated for its intended use. While space systems technology in general must be qualified as a unit, nuclear technology must be first demonstrated to meet qualification level requirements both at the fuel (component) level and the reactor (subsystem) level. Here, in this paper, historic NTP development programs are surveyed to identify a testing and development strategy that can be effectively implemented to allow for NTP reactor development. Based on this strategy, required facilities to enable such activities are identified. Current domestic experimental capabilities to support NTP qualification are limited to separate effects testing of individual components. Separate effects testing is found extensively in historic NTP development efforts but is not sufficient for full fuel and reactor qualification. Combined effects testing allows for an accurate assessment of fuel performance but is not achievable for NTP conditions in existing facilities. Assessment of historic development programs suggests that an intermediate, subscale test facility is necessary to advance NTP TRLs. A solution to meet this need is proposed, namely the Subscale Maturation of Advanced Reactor Technologies (SMART) facility. SMART will mitigate risk to NTP development by enabling performance and reactor physics demonstrations of NTP subsystems. A SMART facility could be built by modifying existing nuclear test facilities, which may potentially enable schedule and cost savings. To pursue reactor qualification beyond the subscale, a new ground test facility will be necessary. This ground test facility should be developed concurrently with SMART to allow for the facility to be operational in time for expedited NTP engine demonstration.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Persistent Elevated Soot Emissions Induced by Clustered Stochastic Preignition Events
Stochastic Preignition (SPI) is an abnormal combustion phenomenon that can occur in spark-ignition engines particularly under high-load operation. SPI is characterized by uncontrolled initiation of combustion prior to spark discharge, an abnormal combustion process that can lead to severe knock events and significant engine damage. SPI has been associated with fuel properties, lubricant composition, and engine design and operation. Here, in this work, a single-cylinder test engine with a dry-sump oil system was utilized to study the SPI response of E10 and E25 fuels with a range of Reid Vapor Pressure (RVP). An automated test procedure was employed, consisting of ten square-waved load profile segments, with each segment composed of 5 min of low-load operation followed by 25 min of sustained high-load operation. These tests were replicated across multiple days of testing including a lubricant triple flush between tests, and an online Fuel in Oil diagnostic measurement. Exhaust particulate emissions were continuously measured by an AVL microsoot sensor (MSS). Elevated particulate matter emissions were observed to occur concurrently with SPI events as blooms of soot. Particularly after clustered events (i.e., multiple SPI cycles occurring within 10 consecutive engine cycles), high soot emissions were observed to persist over several days of sequential operation despite daily lubricant changes, a complete warm-up procedure, and sustained low-load operation between test segments. This result implies that the particulate emissions trends may be dominated by deposit-based effects, where higher load operation is needed to alter deposition and formation processes. The observed soot blooms were also found to correspond to a reduction in the engine fueling and the fuel engine oil dilution rate despite the engine exhaust remaining at stoichiometric exhaust operation. These observations suggest that post-SPI events, pathways for lubricant migration and consumption into the combustion chamber may occur until these pathways are closed from deposit formation or ring dynamics during extended operation. These observed sooting propensity persisted with all fuels tests, but a linear correlation was observed between the summation of soot and particulate matter index (PMI) value for each fuel as well as SPI events, proving that PMI is a crucial fuel property for reducing SPI.
Splitter, Derek [Oak Ridge National Laboratory (OR↗
JUSTIFI: Software for Improving Performance Objectives via Energy Efficiency
With growing energy supply concerns and rising costs, energy efficiency is a critical component of industrial energy resilience and competitiveness by directly reducing energy operating costs. Energy efficiency projects in manufacturing also yield valuable benefits to other key metrics, such as improved quality, reduced maintenance costs, improved safety, decreased pollution, and enhanced productivity. However, it is difficult to receive approval for energy efficiency projects, so implementation rates are low, even when meeting capital project payback period criteria. The inclusion and quantification of non-energy benefits (NEBs) in the decision-making process for energy efficiency projects can improve the overall financial payback period while demonstrating a positive impact on the firm's key performance metrics and business strategy. Despite their significant financial and strategic value, NEBs are rarely factored into decision-making due to lack of tools to effectively identify and quantify them. Therefore, a comprehensive and integrative approach is needed for the rapidly evolving energy landscape. To address these challenges, through funding from U.S. Department of Energy, our new assessment methodology integrates common continuous improvement six sigma concepts, such as the DMAIC process, and a protocol of guiding questions, into energy efficiency assessments to identify NEBs. We have also developed open-source software, JUSTIFI, to guide users through this process, data collection, and quantification. It is designed to be used concurrently with DOE energy system analysis software suite, MEASUR. Our methodology and tools inform energy assessors, firm engineering, decision makers, and workforce seeking to increase energy resilience and to maximize benefits aligned with performance metrics.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
JUSTIFI: Software for Improving Performance Objectives via Energy Efficiency
With growing energy supply concerns and rising costs, energy efficiency is a critical component of industrial energy resilience and competitiveness by directly reducing energy operating costs. Energy efficiency projects in manufacturing also yield valuable benefits to other key metrics, such as improved quality, reduced maintenance costs, improved safety, decreased pollution, and enhanced productivity. However, it is difficult to receive approval for energy efficiency projects, so implementation rates are low, even when meeting capital project payback period criteria. The inclusion and quantification of non-energy benefits (NEBs) in the decision-making process for energy efficiency projects can improve the overall financial payback period while demonstrating a positive impact on the firm's key performance metrics and business strategy. Despite their significant financial and strategic value, NEBs are rarely factored into decision-making due to lack of tools to effectively identify and quantify them. Therefore, a comprehensive and integrative approach is needed for the rapidly evolving energy landscape. To address these challenges, through funding from U.S. Department of Energy, our new assessment methodology integrates common continuous improvement six sigma concepts, such as the DMAIC process, and a protocol of guiding questions, into energy efficiency assessments to identify NEBs. We have also developed open-source software, JUSTIFI, to guide users through this process, data collection, and quantification. It is designed to be used concurrently with DOE energy system analysis software suite, MEASUR. Our methodology and tools inform energy assessors, firm engineering, decision makers, and workforce seeking to increase energy resilience and to maximize benefits aligned with performance metrics.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
Classic and Quantum Task-Based Intelligent Runtime for QIRs Running on Multiple QPUs
High-performance computing systems are rapidly evolving into heterogeneous platforms that fuse quantum accelerators with traditional classical processing units (CPUs) and graphical processing units (GPUs). This convergence calls for runtimes capable of managing both classical and quantum workloads in a unified manner. We introduce an intelligent, task-based runtime that marries the Intelligent RuntIme System (IRIS) asynchronous scheduler with a quantum programming stack through the Quantum Intermediate Representation Execution Engine (QIR-EE). Our design allows programs written in the quantum intermediate representation (QIR) to be dispatched concurrently to a variety of back-ends, including multiple quantum simulators and nascent quantum processors, enabling genuine hybrid execution on a single node. To illustrate its practicality, we partition a 4-qubit and 20-qubit circuit into three sub-circuits using quantum circuit cutting via the QCut library. Each sub-circuit is simulated independently by the QIR-EE driver within IRIS, after which a classical post-processing step merges the simulation results to recover the outcome of the original full-circuit computation. This case study demonstrates how finer task granularity can enable the parallel execution and lower the simulation burden per quantum task while preserving overall accuracy, highlighting the feasibility of our hybrid approach.
Miniskar, Narasinga Rao [ORNL] (ORCID:000000018259↗
Sodium Ion Expansion Power Block for Distributed CSP
The Sodium Ion Expansion Power Block for Distributed CSP was a three-plus-one-year effort under the Concentrating Solar Power: Advanced Projects Offering Low LCOE Opportunities (CSP: APOLLO) funding program within the U.S. Department of Energy Solar Energy Technologies Office. The primary objective of this project is to develop a dual-stage modular sodium thermal electrochemical converter (Na-TEC) heat engine power block, which can be potentially integrated with either a small-scale dish solar or large-scale heliostats and parabolic trough CSP. Na-TEC is a heat engine that generates electricity through the isothermal expansion of sodium ions. The Na-TEC is a closed system that can theoretically achieve conversion efficiencies above 45% when operating between thermal reservoirs at 1150 K and 550 K. However, thermal designs have confined previous single-stage devices to thermal efficiencies below 20%. To mitigate some of these limitations, we consider dividing the isothermal expansion into two stages; one at the evaporator temperature (1150 K) and another at an intermediate temperature (650 K –1050 K). This dual-stage Na-TEC takes advantage of regeneration and reheating, and could be amenable to better thermal management. In light of this, we first designed and developed a thermo-electrochemical model, and thermodynamically demonstrated how the dual-stage device can improve the efficiency by up to 8% points over the best performing single-stage device. We also established an application regime map for the single- and dual-stage Na-TEC in terms of the power density and the total thermal parasitic loss. Moreover, a thermal design of an axisymmetric dual-stage Na-TEC is developed to guide the scale-up and fabrication of sub-components of prototype module. A reduced-order finite-element model is used in conjunction with a Na-TEC thermodynamic model that was developed to determine the total parasitic heat loss of this dual-stage design. A number of simplifications are applied in the reduced-order model to decrease the computational time while maintaining acceptable accuracy. According to this analysis, a maximum efficiency of 29% and a maximum power output of 125 W can be achieved. Ultimately, we were able to demonstrate thermal efficiency improvements of the Na-TEC heat engine from 19% up to 40.3%, in a dual-stage (non-optimized) prototype module that we designed, fabricated, and tested with high temperature stage at 923 K. Furthermore, a cost-performance analysis for this improved dual-stage design was carried out for distributed-CSP systems. A high-level techno-economic analysis (TEA) explores four scenarios where a Na-TEC is used as the heat engine for a distributed-CSP system. Overnight capital cost and levelized cost of electricity (LCOE) are estimated for a system lifetime of 30 years, revealing that overnight capital costs in a range from $3.57 to $17.71 per We are feasible, which equate to LCOEs from 6.9 to 17.2 cents/kWh e -1 . This analysis makes a significant contribution by concurrently quantifying the efficiency and unit costs for a range of multistage configurations, and demonstrating that a Na-TEC may be a promising alternative to Stirling engines for distributed-CSP systems at residential scale of 1–5 kW e .
14 SOLAR ENERGY↗
A Cost-Performance Analysis of a Sodium Heat Engine for Distributed Concentrating Solar Power
We present that a sodium thermal electrochemical converter (Na-TEC) generates electricity directly from heat through isothermal expansion of sodium ions across a beta"-alumina solid-electrolyte. This heat engine has been considered for use with conventional concentrating solar power (CSP) systems before. However, unlike previous single-stage devices, the improved design uses two stages with an interstage reheat, allowing more economical and efficient conversion up to 29% at a hot side temperature of 850 °C. Herein, a cost-performance analysis for this improved design assesses opportunities for distributed-CSP in the context of micro-combined heat and power systems. A high-level techno-economic analysis (TEA) is presented that explores four scenarios where a Na-TEC is used as the heat engine for a distributed-CSP system. Overnight capital cost and levelized cost of electricity (LCOE) are estimated for a system lifetime of 30 years, revealing that overnight capital costs in a range from $3.57 to $17.71 per W e are feasible, which equate to LCOEs from 6.9 to 17.2 cents kWh e -1 . This analysis makes a significant contribution by concurrently quantifying the efficiency and unit costs for a range of multistage configurations, and demonstrating that a Na-TEC may be a promising alternative to Stirling engines for distributed-CSP systems at residential scale of 1–5 kW e .
14 SOLAR ENERGY↗
New Directions in Focused Ion Beam Induced Deposition for the Nanoprinting of Functional 3D Heterostructures
The focused ion beam (FIB) microscope is well established as a high-resolution machining instrument capable of site-selectively removing material down to the nanoscale. Beyond subtractive processing, however, the FIB can also add material via a technique known as focused ion beam induced deposition (FIBID). Using FIBID, the FIB can thus be employed for the direct-write of complex nanostructures. This work explores new directions in three-dimensional FIBID nanoprinting, harnessing unique features of helium and neon FIBs. In particular, the superior spatial resolution of these novel FIBs is leveraged to fabricate precise multimaterial architectures, an isotope effect is used to create satellite deposits, and dose-controlled implantation of the gaseous ions is used to engineer internal voids. In the context of voids, the fabrication of hollow nanopillars by helium-FIBID due to concurrent milling (as shown previously by others) is revisited. Insight into the chemical and structural composition of the nanostructures is obtained using advanced electron microscopy, accurately revealing buried interfaces, crystallite distributions, chemical compositions, and material transformations. Next-generation devices and technologies that could be enabled by the novel heterostructures demonstrated here are discussed, setting the stage for the potential evolution of FIBID into a versatile platform for functional nanomaterials design and fabrication.
FIBID↗
Towards a CAN IDS Based on a Neural Network Data Field Predictor
Modern vehicles contain a few controller area networks (CANs), which allow scores of on-board electronic control units (ECUs) to communicate messages critical to vehicle functions and driver safety. CAN provides a lightweight and reliable broadcast protocol but is bereft of security features. As evidenced by many recent research works, CAN exploits are possible both remotely and with direct access, fueling a growing CAN intrusion detection system (IDS) body of research. A challenge for pioneering vehicle-agnostic IDSs is that passenger vehicles' CAN message encodings are proprietary, defined and held secret by original equipment manufacturers (OEMs). Targeting detection of next-generation attacks, in which messages are sent from the expected ECU at the expected time but with malicious content, researchers are now seeking to leverage "CAN data models'', which predict future CAN messages and use prediction error to identify anomalous, hopefully malicious CAN messages. Yet, current works model CAN signals post-translation, i.e., after applying OEM-donated or reverse-engineered translations from raw data. We present initial IDS results testing deep neural networks used to predict CAN data at the bit level, targeting IDS capabilities that avoiding reverse engineering proprietary encodings. Our results suggest the method is promising for data with signals exhibiting dependence on previous or concurrent inputs.
Pawelec, Krzysztof↗
Sockeye Validation Support Using the SPHERE Facility
The engineering-scale heat pipe application Sockeye, being developed through the Nuclear En- ergy Advanced Modeling and Simulation program is concurrently undergoing code development and verification and validation activities. The Single Primary Heat Extraction and Removal Emu- lator (SPHERE) facility at Idaho National Laboratory has performed numerous sodium heat pipe experiments, one of which is modeled in this work to support Sockeye validation. Heat pipe data produced by the SPHERE facility was found to be very useful not only for Sockeye validation but also as a useful resource for model development. A Sockeye simulation performed using Sockeye’s conduction model modeled an experimental run at SPHERE and was found to be able to accurately reproduce the steady temperature distribution but revealed discrepancies in transient behavior after shutoff of the power. This effort also revealed a number of challenges of modeling an experimental setup such as SPHERE, for example, the importance of details in the setup such as possible gaps in insulation. Also, continuous collaboration between Sockeye developers and SPHERE experimentalists has been established, which allows future experiments to be refined in response to questions and challenges found by simulating earlier experiments.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Antenna array with low Rx and Tx sidelobe levels
The various technologies presented herein relate to mitigating or reducing sidelobe levels during operation of an antenna array. Power coefficients operating across an antenna array are tapered to facilitate a power concentration at central region of the antenna array while power coefficients of a lower magnitude are generated at the periphery of the antenna array. Power coefficient variation can be effected by at least one of electrical path length, number of antennas being powered in a particular antenna subarray, a number of T-splitters incorporated into an electrical path servicing an antenna, etc. Electrical coupling of a pre-T/R stripline and a post-T/R stripline can be achieved in conjunction with operation with a dielectric layer, wherein the dielectric layer acts as a dielectric at the K.sub.u frequency band. Further, phase delay can be applied to at least one electrical signal to facilitate concurrent delivery of power across the antenna array.
42 ENGINEERING↗
Light–matter coupling in large-area van der Waals superlattices
Two-dimensional (2D) crystals have renewed opportunities in design and assembly of artificial lattices without the constraints of epitaxy. However, the lack of thickness control in exfoliated van der Waals (vdW) layers prevents realization of repeat units with high fidelity. Recent availability of uniform, wafer-scale samples permits engineering of both electronic and optical dispersions in stacks of disparate 2D layers with multiple repeating units. In this study, we present optical dispersion engineering in a superlattice structure comprising alternating layers of 2D excitonic chalcogenides and dielectric insulators. By carefully designing the unit cell parameters, we demonstrate greater than 90% narrow band absorption in less than 4 nm of active layer excitonic absorber medium at room temperature, concurrently with enhanced photoluminescence in square-centimetre samples. These superlattices show evidence of strong light–matter coupling and exciton–polariton formation with geometry-tuneable coupling constants. Our results demonstrate proof of concept structures with engineered optical properties and pave the way for a broad class of scalable, designer optical metamaterials from atomically thin layers.
2D Crystals↗