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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 271 records · Page 15

Enabling Low-Overhead HT-HPC Workflows at Extreme Scale using GNU Parallel

GNU Parallel is a versatile and powerful tool for process parallelization widely used in scientific computing. This paper demonstrates its effective application in high-performance computing (HPC) environments, particularly focusing on its scalability and efficiency in executing large-scale high-throughput high-performance computing (HT-HPC) workflows. Through real-world examples, we highlight GNU Parallel’s performance across various HPC workloads, including GPU computing, container-based workloads, and node-local NVMe storage. Our results on two leading supercomputers, OLCF’s Frontier and NERSC’s Perlmutter, showcase GNU Parallel’s rapid process dispatching ability and its capacity to maintain low overhead even at extreme scales. We explore GNU Parallel’s application in massive parallel file transfers using a scheduled Data Transfer Node (DTN) cluster, emphasizing its broad utility in diverse scientific workflows. Beyond its direct application as a viable workflow manager, GNU Parallel can be employed in conjunction with other workflow systems as a "last-mile" parallelizing driver and as a quick prototyping tool to design and extract parallel profiles from application executions. We then argue that the potential for GNU Parallel to transform workflow management at extreme scales is substantial, paving the way for more efficient and effective scientific discoveries.

Maheshwari, Ketan↗

Coriolis force compensation and laser beam delivery for 100-m baseline atom interferometry

The Coriolis force is a significant source of systematic phase errors and dephasing in atom interferometry and is often compensated by counter-rotating the interferometry laser beam against Earth's rotation. We present a novel method for performing Coriolis force compensation for long-baseline atom interferometry, which mitigates atom-beam misalignment due to beam rotation, an effect which is magnified by the long lever arm of the baseline length. The method involves adjustment of the angle of the interferometer beam prior to a magnifying telescope, enabling the beam to pivot around a tunable position along the interferometer baseline. By tuning the initial atom kinematics and adjusting the angle with which the interferometer beam pivots about this point, we can ensure that the atoms align with the center of the beam during the atom optics laser pulses. This approach will be used in the MAGIS-100 atom interferometer and could also be applied to other long-baseline atom interferometers. An additional challenge associated with long baseline interferometry is that since long-baseline atom interferometers are often located outside of typical laboratory environments, facilities constraints may require lasers to be housed in a climate-controlled room a significant distance away from the main experiment. Nonlinear effects in optical fibers restrict the use of fiber-based transport of the high-power interferometry beam from the laser room to the experiment. We present the design of and prototype data from a laser transport system for MAGIS-100 that maintains robustness against alignment drifts despite the absence of a long fiber.

Glick, Jonah↗

Deciphering competing elementary steps to correlate electrocatalyst chemical state with activity

The overpotential in multielectron transfer heterogeneous electrocatalysis fundamentally arises from thermodynamic and kinetic disparities among elementary steps; however, deciphering coupled and competing steps has long remained a challenge. Here, we establish an electrochemical deconvolution paradigm based on key processes in electrocatalytic reactions, such as charge accumulation, electron/proton transfer, and intermediate evolution, to resolve competing elementary steps. Taking the oxygen evolution reaction as a prototypical reaction, we design a model catalyst featuring a precise isolated cation-anion vacancy pair and track the previously elusive electrochemical behavior of lattice oxygen by disentangling interference from adsorbed oxygen intermediates. Mechanistically, the lattice oxygen oxidation pathway originates from the spontaneous, nonelectrochemical deprotonation of replenished water molecules coordinated to unsaturated cation sites. Alternating current techniques further reveal that although lattice oxygen oxidation requires a higher potential than metal oxidation, it exhibits faster kinetics, providing insight into its superior catalytic activity. These findings establish a direct experimental correlation between the initial chemical state and the catalytic activity and prove surface-confined lattice oxygen cycling. Furthermore, expanding conventional potential-current analysis into a multidimensional framework enables disentanglement of thermodynamic and kinetic contributions of key elementary steps, thereby guiding the rational optimization of various complex multielectron transfer reactions.

OER↗

AI-Powered Knowledge Graphs for Neuromorphic and Energy-Efficient Computing

The surge in scientific literature obscures breakthroughs and hinders the discovery of new research paths. We propose an artificial intelligence (AI) powered framework using large language models (LLMs) and knowledge graphs (KGs) to automate parts of scientific discovery, focusing on energy-efficient AI circuits. Our hybrid approach combines LLMs, structured data, and ontology-based reasoning to construct a comprehensive knowledge graph that integrates insights across computational neuroscience, spiking neuron models, learning rules, architectural motifs, and neuromorphic device technologies. This multi-domain representation enables the generation of hypotheses that connect biological function with implementable, energy-efficient hardware architectures. Using KG embeddings and graph neural networks, the framework generates hypotheses for novel circuits, validates them through optimization on exascale HPC systems, and with tools like SuperNeuro and Fugu, the most promising designs will be prototyped in hardware. This open-source system aims to accelerate discoveries and bridging neuroscience with hardware innovation, drive collaboration, and unlock new opportunities in low-power AI computing.

Gautam, Ashish [ORNL]↗

Idaho National Laboratory Data Acquisition And Processing System

The INLDAS data acquisition and processing system is designed to develop prototype measurements and real-time processing techniques. The INLDAS hardware and firmware currently consists of National Instruments • NI-DAQmx 14.1 • cDAQ-9184 • 9205 • 9211 INLDAS can perform of standard data acquisition functions as well as novel functions and real-time processing algorithms. There are 3 acquisition modes to choose from: • Continuous mode runs when the user hits start, processing data and logging it to file • SWTrigger mode waits for one or more predefined triggers before acquiring data. It will buffer data as well, so it can record data that happened shortly before the trigger • Wakeup mode waits on predefined timers. When a time goes off, it acquires a preset amount of data There are also 3 Data Processing Modes • Normal mode does no processing besides the rolling average • FFT Mode Performs an FFT on incoming data every time the time window has elapsed • STFFT mode

Smith, JamesA↗

Large-scale inflatable structures for tunnel protection: a review of the Resilient Tunnel Plug project

The protection of underground civil infrastructure continues to be a high priority for transportation and transit security agencies. In particular, rail transit tunnels running under bodies of water are susceptible to disruptions due to flooding caused by extraordinary climatic events such as hurricanes or other events resulting from human activities. Several events have taken place in the past decades that have demonstrated the need to mitigate vulnerabilities or, at least, minimize the consequences of catastrophic events. Although it is impossible to prevent all situations that can lead to flooding, damage can be substantially decreased by reducing the area affected by the event. To minimize the effects of an event, a possible approach is to compartmentalize the tunnel system by creating temporary barriers that can contain the propagation of flooding until a more permanent solution can be implemented. One way to create a temporary barrier is by the deployment of a large-scale inflatable structure, also known as an inflatable plug. In such an application, the inflatable structure is prepared for placement, either permanently or temporally, and maintained ready for deployment, inflation, and pressurization when needed. The internal plug pressure imparts a normal force against the tunnel wall surface with the friction between the plug and tunnel surfaces opposing axial movement of the plug. The sealing effectiveness depends on the ability of the inflatable structure to self-deploy and fit, without human intervention, to the intricacies of the perimeter of the conduit being sealed. Primary design constraints include having the plug stowed away from the dynamic envelope of the trains and being able to withhold the pressure of the flooding water. This work presents a compilation of the main aspects of the activities completed for the development of large-scale inflatable structures as part of the Resilient Tunnel Plug (RTP) Project. The main test results and lessons learned are presented to demonstrate the viability of implementing large-scale inflatable plugs for the containment of flooding in rail tunnels systems. Over 400 coupon and specimen tests, 200 reduced scale tests, and 100 full-scale tests were conducted to demonstrate the efficacy of the design of different prototypes over a 10-year research and development project. The culmination of the work was 12 large-scale flooding demonstrations where the inflatable tunnel plug was shown able to be deployed remotely and withstand a simulated flooding event.

42 ENGINEERING↗

Fabrication and Testing of a Prototype RF-Dipole Crabbing Cavity

Crabbing cavities are essential in particle colliders to compensate the luminosity degradation due to beam collision at a crossing angle. The 952.6 MHz 2-cell rf-dipole crabbing cavity system was proposed for the Jef-ferson Lab Electron-Ion Collider to restore the head-on collisions of electron and proton bunches at the interac-tion point. A prototype cavity was designed and devel-oped to demonstrate the performance of multi-cell rf-dipole structures. This paper presents the fabrication pro-cess and cold test results of the first 2-cell rf-dipole proto-type cavity.

43 PARTICLE ACCELERATORS↗

Tandem particle-slurry batch reactors for solar water splitting (Final Scientific/Technical Report)

Economically, particle slurry reactors are projected to be one of the most promising technologies for solar photoelectrochemical hydrogen production, according to a 2009 techno-economic analysis commissioned by the US DOE and performed by Directed Technologies, Inc. The Fuel Cell Technologies Office’s Multi-Year Research, Development and Demonstration (MYRD&D) goals and targets are to reduce the cost of H 2 produced from renewable sources at the plant gate (i.e. not including delivery, dispensing, or storage) to < $2.00/gge, equivalent to ~$2.00/kg H 2 . Research results from our techno-economic modeling research suggest that this target could be met using particle slurry reactors assuming STH efficiencies in the range of 5 – 10%, materials lifetimes of < 1 year, and nanoparticles that cost up to 20 times more than projected costs of TiO 2 -coated Fe 2 O 3 nanoparticles. Although most large worldwide research efforts directed at solar photoelectrochemical hydrogen production focus on wafer-based designs, the projected lower cost for a particle slurry reactor at these disparate projected STH efficiencies clearly suggests that particle slurry reactors could be a scalable and deployable technology, assuming several challenges are overcome. These major technological challenges include the demonstration of a vertically-stacked-vessel architecture that is capable of operating sustainably while mostly relying on diffusion and natural convection to mix the redox shuttles between the vessels, and the demonstration that photocatalyst particles can operate at an overall 1% STH efficiency or larger when incorporated into this two-vessel design. Our research adds to the understanding of photocatalytic reactors for solar water splitting through numerical modeling results and experimental results. Numerical models were developed to simulate relevant device physics including particle and reactor dimensions which affect optical, transport, and rheological properties, electrocatalytic and photovoltaic properties of particles at various temperatures, and properties of redox shuttles and separators. Moreover, theoretical maximum solar-to-hydrogen efficiencies for ensembles of particles like in photocatalyst reactors were modeled and simulated and shown to equal or exceed those of photoelectrochemical designs under most scenarios. These results help determine constraints on the reactor that will enable more optimal designs for future prototypes. In parallel, experiments were performed to identify the most effective redox shuttles and to empirically validate the numerical models and simulations. Toward the latter, state-of-the-art light-absorbing particles and electrocatalysts were synthesized and characterized physically and photoelectrochemically for water electrolysis and redox chemistry with redox shuttles in the form factor of mesoporous electrodes and free-floating particles. The most promising materials candidates were used in a suspension reactor to evaluate performance toward photocatalytic H 2 production and results from the two measurements were compared. Predominantly, state-of-the-art cocatalyst-modified Rh-doped SrTiO 3 and BiVO 4 particles were further characterized to assess for their ability to perform visible-light-driven H 2 and O 2 evolution, respectively, and results were similar to those reported for the state-of-the-art in the peer-reviewed literature. Outcomes from this work inform the public of the effectiveness and promise of solar photocatalytic water splitting for clean and renewable hydrogen production. This work may also help increase research interest and funding for photocatalysis projects, which will accelerate development of a technology that will benefit the public by generating fuel while emitting few greenhouse gases and pollutants.

08 HYDROGEN↗

Development of Improved Noble Liquid Purity Measurements (Final Technical Report)

The main goal of the Detector R&D project supported by this grant, “Development of Improved Noble Liquid Purity Measurements”, was to perform a scoping study of the feasibility of trapping ions in a liquid argon medium using a radiofrequency (RF) quadrupole trap, and to subsequently use the population of trapped ions to make measurements of the properties of the liquid medium. Using RF quadrupole traps immersed in a noble liquid to trap ions may yield new capabilities to detect and quantify the presence of impurities, as well as enabling other measurements of the microphysics in a noble liquid environment. The major activities undertaken during this project include: the development of a simulation of ions in a liquid argon medium; the designing of a prototype RF quadrupole trap; and the setup of hardware to be used in testing the prototype in vacuum and gas conditions. The summary of these major activities is reported here.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Closing the Loop on Automotive Carbon Fiber Prepreg Manufacturing Scrap

The project demonstrated how to “close the loop” on carbon fiber by integrating industrial carbon fiber scrap into new functional components in an automotive lightweighting application. The project serves as a validation of discontinuous recycled carbon fiber in a commercial context, while generating comprehensive material data throughout the production chain. To this end, the project exhibited increasing complexity as material evaluation progressed from benchtop to commercial scale through full-scale part production, with key material properties thoroughly characterized throughout the process. Of particular focus was the form of the fiber that was fed into compounding, as recycled fiber has historically been problematic to feed at commercial-scale. Carbon fiber is energy-intensive to manufacture, so reuse of existing fiber material can reduce costs and increase sustainability. Additionally, by integrating recovered short fiber into a thermoplastic, regrind processes can be used to provide feedstock for later generations of product. While regrind plastics are not “infinitely recyclable”, reusing the manufacturing scrap over several generations of products can greatly increase material sustainability and lower the fractional embodied energy of each successive product. As such, this project supports the IACMI technical goals of (1) 25% lower carbon fiber-reinforced polymer (CFRP) cost, (2) 50% reduction in CFRP embodied energy, and (3) 80% composite recyclability into useful products. The initial stage of the project involved down selecting surface treatment (sizing) chemistries. Sizing evaluations were performed on Vartega’s chemically recycled intermediate modulus fiber along with standard modulus dry scrap which was oversized with sizing provided by Michelman. More dramatic improvements from sizing were found on the standard rather than the intermediate modulus fibers. The strength of the chemically recycled individual fibers were evaluated by Michelman and ORNL through single fiber testing and found to be comparable to similarly evaluated virgin fibers. UDRI’s mechanical testing on injection molded test specimens identified similar mechanical properties and fiber distribution relative to benchmark specimens. Additional surface chemistry tests and visualizations were performed by the Colorado School of Mines to confirm close conformance between the benchmark and recycled-fiber specimens. As the mechanical test results exceeded the 80% threshold established as the go/no-go(GNG), the project scale was increased to use commercial-scale equipment that would both better characterize the manufacturing utility of the target product format and allow qualitative assessment of a complex commercial part. An upscaled compounding evaluation was performed with a 27 mm twin-screw compounding extruding using oversized standard modulus fibers that were formatted to improve bulk solids transfer. The project team anticipated that milestone mechanical benchmarks could be achieved given the favorable performance of the sized standard modulus material identified in the initial micro-compounding trials. While the mechanical performance did meet the milestone target for that phase of the project, mechanical properties for this standard modulus-based compound were still less than those of the Ford specification. To compare the performance, the project team oversized intermediate modulus dry fibers and compounded them with the project resin at BASF using a 40 mm compounder. Test specimen mechanical performance exceeded the targets laid out in both the project milestone and the Ford specification. A series of prototype parts were successfully molded, albeit with instances of short shot components due to the high thermal conductivity of the carbon fiber compared to glass fiber for which the prototype tool was designed for. The project demonstrated that recycled carbon fiber is a viable option in fiber reinforced compound, providing greatly increased strength and modulus for applications that require them. The “agglomerated” format that facilitated effective bulk solids transfer of recovered fiber showed promise for industrial application.

36 MATERIALS SCIENCE↗

FFTF Acceptance and Startup Testing for GAIN

The Fast Flux Test Facility (FFTF) is the most recent liquid metal reactor (LMR) to be designed, constructed, and operated by the U.S. Department of Energy (DOE). The 400-MWt sodium-cooled, fast-neutron flux reactor plant was designed for irradiation testing of nuclear reactor fuels and materials for liquid metal fast breeder reactors. Following the demise of the breeder reactor program in the United States, FFTF continued to play a key role in providing a test bed for demonstrating performance of advanced fuel designs and demonstrating operation, maintenance, and safety of advanced liquid metal reactors. FFTF operations ceased in April 1992 after a determination by DOE that no combination of proposed missions was financially feasible over a ten-year period. The reactor is currently deactivated and in a long-term surveillance and maintenance (S&M) mode. This report provides information on the extensive and rigorous process that was used to conduct turnover from construction followed by acceptance and startup testing of the FFTF. This paper is in support of the Gateway for Accelerated Innovation in Nuclear (GAIN), which provides the nuclear energy community with access to the technical, regulatory, and financial support necessary to move new or advanced nuclear reactor designs toward commercialization while ensuring the continued safe, reliable, and economic operation of the existing nuclear fleet. The information obtained from the design, startup, and operation of the FFTF provides valuable insight for follow-on reactor projects, such as the Versatile Test Reactor (VTR), in the areas of plant system and component design, component fabrication, fuel design and performance, prototype testing, site construction, reactor startup and operations, and reactor deactivation and decommissioning (D&D). The focus of this report is on the process used to startup the FFTF and to ensure that operations could be conducted efficiently and safely. A reference section is provided of documents detailing the successful turnover and testing process implemented for startup of the reactor and its supporting systems. The documents listed can be retrieved upon request and are believed useful for future reactor startup endeavors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Ultrasonic waveguide reflectometry for quench detection (CRADA Final Report)

Early detection of thermal runaway (quench) is critical for safely operating high-temperature superconductor (HTS) magnets. Voltage-based techniques provide late detection of quenching in HTS, which can lead to magnet burnout and system damage. Various non-voltage quench-detection approaches are therefore investigated nowadays that are based on magnetic, acoustic, and optical sensing. LBNL has been actively developing the quench detection principle based on diffuse ultrasonic wave propagation since 2017 and has demonstrated the approach's viability with several peer-reviewed publications and a patent application. Over the last decade, Etegent, LBNL partner for this proposal and effort, has been developing a sensing technology that utilizes the propagation of stress waves through the solid metallic and nonmetallic waveguides (WG). The method is based on the dependence of materials' elastic properties and the speed of sound on temperature. Compared with optical analog, acoustic WG operates at much lower frequencies, eliminating the need for expensive, complex, highly sensitive receivers and data processing. Etegent proved this technology in many harsh environments, mainly concentrated high-temperature measurements. The initial contact between LBNL and Etegent started in 2020, aiming at combining our knowledge and effort toward developing a viable ultrasound-based quench detection technique for use with HTS magnets. A preliminary study conducted jointly in 2022 found no principle restrictions for expanding the WG technology toward cryogenic temperature operation. The present CRADA work aimed at designing, building, and testing ultrasonic waveguide temperature sensors at relevant cryogenic conditions, and demonstrating this technology's applicability to detecting heating and quenching in High Temperature Superconductor (HTS)-based cables and magnets. The technical objectives of the project included: (1) Design and fabricate ultrasonic WG sensors suitable for cryogenic operation, (2) Test ultrasonic WGs under cryogenic conditions, (3) Determining a suitable way of insulating WGs to prevent ultrasonic leakage while maintaining good thermal contact with the surrounding medium, (4) WG integration and cryogenic test with HTS conductors and HTS magnets, and (5) Design and basic prototyping of a standalone WG-based quench detection system. This project adds value to the present LBNL magnet diagnostics portfolio and enables a breakthrough in addressing the HTS magnet quench detection challenge.

47 OTHER INSTRUMENTATION↗

Analysis of WIRE-21 SPND and Optical Fiber Sensor Measurements

The Wireless Instrumented RB Experiment 2021 (WIRE-21) was a highly instrumented experiment designed to test prototype wireless temperature and pressure sensors developed by Westinghouse Electric Corporation (WEC) in the High Flux Isotope Reactor (HFIR). In addition to these sensors, a suite of other sensors was also integrated into the experiment capsule, including various types of distributed optical fiber sensors and self-powered neutron detectors (SPNDs). This report presents an analysis of the data generated by the SPNDs and optical fiber sensors that were tested under the highest reported neutron flux. The distributed optical fiber sensor results demonstrate that F-doped optical fibers, particularly those inscribed with fs fiber Bragg gratings (FBGs), are capable of surviving fast neutron fluences on the order of 1021 n fast /cm 2 at temperatures relevant to light-water reactors (between 200 and 400°C). However, a significant blue-shift in the optical spectra of these sensors was observed over the course of irradiation which cannot be explained based on the current understanding of radiation-induced compaction in fused silica glass. A mechanistic understanding of this drift has not yet been developed and is proposed as future scope under the Advanced Sensors and Instrumentation program. Of the four SPNDs, only one appeared to operate normally during three cycles of irradiation. A radiation transport model of the experiment in HFIR was used to determine time-dependent neutron flux in this SPND and to calculate the neutron sensitivity of the device. Results showed a cycle averaged sensitivity of 1.5 ×10 -22 and 1.4 ×10 -22 A/nν for the first and third cycles of irradiation, respectively. Additional details pertaining to the optical fibers and SPNDs are included herein.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

High-Power Oak Ridge Converter (ORC) for Extreme Fast Charging Applications

This project report presents a novel power converter system called Oak Ridge Converter (ORC), a patented technology developed by the Oak Ridge National Laboratory (ORNL) for XFC wireless EV charging systems. ORC integrates the grid interface converter (also known as the active front-end rectifier with power factor correction) with the high-frequency inverter stage, promoting size and cost-effective charging technology with reduced infrastructure costs. The integration of the front-end rectifier with the high-frequency inverter truly eliminates one power conversion stage and achieves more than 33% size, weight, volume, and cost reduction on the wireless charging systems. Furthermore, ORC eliminates the primary side direct current (DC) bus bulk capacitors that are usually aluminum electrolytic capacitors and replaces them with very small, cost-effective, highly reliable, and high-temperature operation-capable alternate current (AC) film capacitors. ORC is also applicable to both single-phase and poly-phase couplers. When used with polyphase couplers, ORC further improves the power density of the overall system with higher power density power electronics. Moreover, ORC is inherently bidirectional and allows the system to provide power back to the grid for grid ancillary or grid support services. The ORC, based on a patented ORNL technology, is an excellent approach to resolving the high-power charging problems as described above, which directly converts the 60 hertz (Hz) line frequency into high frequency (i.e., 85 kilohertz (kHz)) to use with a high-frequency isolation transformer or wireless charging coils while eliminating the primary side number of power conversion stages from two to one. The result of the project is a prototype and reference design for a high-power wireless charging system—including power electronics, magnetics, and thermal—serving as a baseline for product development. The proposed system results are demonstrated for 270 kW of output power, with the system's overall efficiency of 92% from the AC grid, achieving less than 3% current total harmonic distortion (THD) and around 0.99 power factor (PF).

33 ADVANCED PROPULSION SYSTEMS↗

Scattering Calorimeter FY24 Deliverable Report

A simulation-based method has been developed to prototype new detector designs for nuclear data measurements utilizing neutron scattering. This method uses representative physics inputs for signal and background generation, full detector resolution smearing benchmarked by experimental data, and a neutron beam timing simulation to produce analyzable output like a physical measurement. A test case has been studied using a hybrid time-of-flight calorimeter detector for scattering cross-section measurements on 239 Pu with 1-5 MeV incident monoenergetic neutrons. Data analysis methods have been developed to perform event-level particle reconstruction and reaction channel discrimination. This analysis has been used to estimate the capability of the test detector to perform simultaneous scattering and fission cross section measurements, as well as its ability to provide neutron spectra and particle angular information.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Design, Optimization, and Control of a 100 kW Electric Traction Motor Meeting or Exceeding DOE 2025 Targets

The overall objective of the electric motor portion of the Electric Drives Technology consortium is to research, develop, and test electric motors for use in electric vehicle applications capable of a peak power greater than 100 kW, power density greater than or equal to 50 kW/l, and a cost less than 3.3 $/kW. To meet the electric traction motor power density and cost targets a number of approaches were pursued simultaneously throughout the course of this project which address all of the major volumetric power density variables. The specific research thrusts at the Illinois Institute of Technology (IIT) are the following: multiphysics design for increased power density through maximum utilization of active materials, synthesis of electric machine windings and PM flux barriers with controlled space harmonics, high slot fill windings for increased current loadings or efficiency, aggressive cooling strategies, and design studies and prototype construction of candidate electric machines.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Infrared Photon Pair-Production in Ligand-Sensitized Lanthanide Nanocrystals

This report details spectroscopic characterizations of rare-earth, core-shell nanoparticles decorated with the f -element chelator 3,4,3-LI(1,2-HOPO). Evidence of photon downconversion is corroborated through detailed power dependence measurements, which suggest two-photon decay paths are active in these materials, albeit only representing a minority contribution of the sum luminescence, with emission being dominated by normal, Stokes' shifted fluorescence. Specifically, ultraviolet ligand photosensitization of Nd 3+ ions in a NaGdF 4 host shell results in energy transfer to a Nd 3+ /Yb 3+ -doped NaGdF 4 nanoparticle core. The population and subsequent decay of core, Yb 3+ 2 F 5/2 states result in a spectral shift of 620 nm, manifested in a NIR emission displaying luminescence profiles diagnostic of Yb 3+ and Nd 3+ excited state decays. Emphasis is placed on the generality of this material architecture for realizing ligand-pumped, multi-photon downconversion, with the Nd 3+ /Yb 3+ system presented here functioning as a working prototype for a design principle that may be readily extended to other lanthanide pairs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling Time-Dependent Surrogates of Additive-Manufactured Nuclear Fuels Processes

Additive manufacturing (AM) technology is being increasingly adopted in a wide variety of application areas for its ability to rapidly produce, prototype, and customize designs. Recently, a hybrid AM technique was successfully developed at Idaho National Laboratory (INL) to manufacture nuclear fuels [1]. Despite the advantages, this AM technique needs optimization due to defects from a highly complex melting and sintering process. The complex metallurgical phenomena during AM processes are strongly related to parameters such as applied laser power, traveling speed, and scan style, which could lead to differences in density, residual stress, crystallographic texture, and mechanical properties. In addition, stochastic variations in laser energy interaction and associated multiscale/multiphysics phenomena cause variations in microstructure evolution and mechanical properties. Currently, researchers at INL are focusing on developing a comprehensive modeling framework, leveraging INL’s simulation tools MOOSE/MARMOT/BISON/RAVEN [2-4] to describe all steps of this AM process across multiple length scales. Although this advanced framework plays a critical role in enabling enhancements to traditional trial and error approaches for design and optimization of nuclear fuel materials, it remains computationally intense, limiting its use in sensitivity and optimization analysis. In this case, an accurate and inexpensive surrogate becomes an effective tool for providing a tractable approximation of the underlying underline physics. Surrogate models generally not based on the physics of a system are purely mathematical models used to capture the relationships between specific system inputs and outputs. Popular approaches, including neural networks [5], response surfaces [6], and subspace-based reduced order models [7], have been applied to a wide range of disciplines, such as nuclear reactor design, aerospace design and automotive design. In this summary, we employ advanced time-dependent surrogate models such as high-dimensional model representation (HDMR) [8] and physics-informed deep neural network (PINNs) [9] to accelerate the design and optimization of AM process.

42 ENGINEERING↗