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At least 127 records · Page 7

Design, Fabrication and Testing of Surveillance Test Articles for MSR Materials Degradation Management

This report details the design, fabrication, and testing of surveillance test articles aimed at assessing material damage in reactor-relevant environments for effective degradation management. Two types of surveillance test articles with reduced sizes were developed based on design algorithms and finite element modeling: welded design and interlocking design. A furnace heating setup was adopted to apply multiple thermal cyclic loading profiles on the test articles with a temperature range of 500°C - 700°C, while the strain response was monitored using a digital image correlation technique. The testing results demonstrated the successful capturing of expected strain range for welded design while machining tolerance should be improved to engage strain coupling in the interlocking design. Mid-term (500 hours) and long-term (1500 hours) cyclic tests were conducted on welded test articles. A constant strain range of ~0.6% was observed at the specimen with testing under 500 hours, while a gradual decrease of strain at specimen was observed after 500 hours. Non-destructive evaluation through X-ray computed tomography confirmed the microcracks in the welds at specimen-driver joints after cyclic test that caused the strain change. Creep testing of the specimen after long-term cyclic test revealed a short creep life than expected. A multi-profile cyclic test was also conducted on a test article and demonstrated consistent strain response under different temperature ramp rates. The report also briefly discussed the challenges and future research efforts to advance test article development for material surveillance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Throughput Optimization of Molybdenum Carbide Nanoparticle Catalysts in a Continuous Flow Reactor Using Design of Experiments

Transition metal carbides (TMCs) have attracted significant attention because of their applications toward a wide range of catalytic transformations. However, the practicality of their synthesis is still limited because of the harsh conditions in which most TMCs are prepared. Recently, a solution-phase synthesis of phase-pure a-MoC1-x nanoparticles was presented. While this synthetic route yielded nanoparticles with exceptional catalytic performance, the reaction parameter space was not explored, and catalyst throughput was not optimized for scale-up. Continuous flow platforms coupled with statistical design of experiments (DoE) can provide a powerful method for understanding the reaction parameter space for optimizations. Here, we demonstrate the use of statistical DoE in tandem with response surface methodology for a parametric screening analysis to optimize the throughput of a MoC1-x nanoparticle synthesis utilizing a millifluidic flow reactor. A full factorial design was implemented to evaluate four input variables (reaction temperature, flow rate, solvent fraction of oleylamine, and precursor concentration) that carry statistically significant effects on three responses (throughput, residence time, and isolated yield). A Doehlert matrix was implemented to investigate each significant variable at a higher number of levels to optimize throughput. Our results give a nonintuitive set of experimental conditions that resulted in an optimized throughput of 2.2 g h-1. This translates to a 50-fold increase in throughput compared to the previously reported batch method. The catalytic performance of the MoC1-x nanoparticles produced under optimized throughput was demonstrated in the CO2 hydrogenation reaction. This DoE screening analysis and throughput optimization of MoC1-x synthesis open the door to an increased feasibility for scale-up.

design of experiments↗

Implementation and Verification of Cable Bending Stiffness in MoorDyn

The relatively large motions experienced by floating wind turbines and wave energy converters pose a challenge for power cables, whose internal components provide significant bending resistance and are sensitive to deformation. The behavior and associated design considerations of power cables in these highly dynamic applications make coupled analysis relevant for design. Bending stiffness capabilities have recently been added to the lumped-mass mooring dynamics model MoorDyn to enable simulation of dynamic power cables. MoorDyn is a common modeling choice for floating wind energy simulation (often coupled with OpenFAST) and floating wave energy converter simulation (often coupled with WEC-Sim) but the model’s previous line elasticity formulation only considered axial stiffness. To properly capture the dynamics of power cables, a bending stiffness model has been added that approximates cable curvature based on the difference in tangent vectors of adjacent elements. The resulting bending moment is realized by applying forces on adjacent nodes, enabling cable modeling while leaving the underlying lumped-mass formulation unchanged. In this paper, the new bending stiffness implementation is verified in static conditions against analytical solutions and then in a dynamic power cable scenario in comparison with the commercial simulator OrcaFlex. The dynamic scenario uses prescribed motions and includes wave loadings on the cable. Results indicate correct implementation of bending stiffness and show close agreement with OrcaFlex.

50 EE - Wind and Water Power Program - Water (EE-4↗

Powering ≈50 µm Motion by a Molecular Event in DNA Crystals

A major challenge in material design is to couple nanoscale molecular and supramolecular events into desired chemical, physical, and mechanical properties at the macroscopic scale. Here, a novel self-assembled DNA crystal actuator is reported, which has reversible, directional expansion and contraction for over 50 μm in response to versatile stimuli, including temperature, ionic strength, pH, and redox potential. The macroscopic actuation is powered by cooperative dissociation or cohesion of thousands of DNA sticky ends at the designed crystal contacts. The increase in crystal porosity and cavity in the expanded state dramatically enhances the crystal capability to accommodate/encapsulate nanoparticles/proteins, while the contraction enables a “sponge squeezing” motion for releasing nanoparticles. This crystal actuator is envisioned to be useful for a wide range of applications, including powering self-propelled robotics, sensing subtle environmental changes, constructing functional hybrid materials, and working in drug controlled-release systems.

36 MATERIALS SCIENCE↗

Emergent magnetism and exchange bias effect in iron oxide nanocubes with tunable phase and size

Abstract We report a systematic investigation of the magnetic properties including the exchange bias (EB) effect in an iron oxide nanocube system with tunable phase and average size (10, 15, 24, 34, and 43 nm). X-ray diffraction and Raman spectroscopy reveal the presence of Fe 3 O 4 , FeO, and α -Fe 2 O 3 phases in the nanocubes, in which the volume fraction of each phase varies depending upon particle size. While the Fe 3 O 4 phase is dominant in all and tends to grow with increasing particle size, the FeO phase appears to coexist with the Fe 3 O 4 phase in 10, 15, and 24 nm nanocubes but disappears in 34 and 43 nm nanocubes. The nanocubes exposed to air resulted in an α -Fe 2 O 3 oxidized surface layer whose thickness scaled with particle size resulting in a shell made of α -Fe 2 O 3 phase and a core containing Fe 3 O 4 or a mixture of both Fe 3 O 4 and FeO phases. Magnetometry indicates that the nanocubes undergo Morin (of the α -Fe 2 O 3 phase) and Verwey (of the Fe 3 O 4 phase) transitions at ∼250 K and ∼120 K, respectively. For smaller nanocubes (10, 15, and 24 nm), the EB effect is observed below 200 K, of which the 15 nm nanocubes showed the most prominent EB with optimal antiferromagnetic (AFM) FeO phase. No EB is reported for larger nanocubes (34 and 43 nm). The observed EB effect is ascribed to the strong interfacial coupling between the ferrimagnetic (FiM) Fe 3 O 4 phase and AFM FeO phase, while its absence is related to the disappearance of the FeO phase. The Fe 3 O 4 / α -Fe 2 O 3 (FiM/AFM) interfaces are found to have negligible influence on the EB. Our findings shed light on the complexity of the EB effect in mixed-phase iron oxide nanosystems and pave the way to design exchange-coupled nanomaterials with desirable magnetic properties for biomedical and spintronic applications.

Physics↗

High-Burnup BWR LOCA Burst Analysis Framework Development and Demonstration

Nuclear power currently contributes approximately 20% of total electricity generation in the United States and more than 10% globally. Given the increasing reliance on nuclear energy to achieve our nation’s goal of reaching net-zero carbon emissions by 2050, there is significant pressure on the existing nuclear industry to extend plant operational licenses and improve efficiency. This is crucial as the existing nuclear fleet serves as a vital bridge until new light water and advanced reactors can be developed and deployed, bolstering the supply of carbon-free energy to meet domestic demands. Operational costs primarily consist of plant operation and maintenance and fuel costs, influenced by materials and reactor core designs. These factors, coupled with heavily subsidized renewable energy markets, create a challenging economic environment for the existing light water reactor fleet, as well as for new build projects. To address these economic challenges, the nuclear industry has developed a strategic blueprint aimed at enhancing nuclear power’s economic sustainability. Past initiatives, such as efforts to eliminate fuel failures by 2010 and reduce operating costs by 30% before 2020, have laid the groundwork. Optimizing core design parameters, including burnup limits and enrichment levels, can lengthen cycles, reduce outages, reduce batch reload batch fractions and spent fuel storage requirements, and lower maintenance and operating expenses, thereby enhancing economic viability. In the United States, boiling water reactors (BWRs) comprise approximately one-third of the fleet, although much of the research and development focus has traditionally been on pressurized water reactors (PWRs). Advances in modeling and simulation, particularly through the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, are crucial to the long-term viability of BWRs, just as they are for PWRs. A key research area of the high burnup/increased enriched fuel initiative is focused on addressing loss-of-coolant-accident (LOCA)-related issues. NEAMS has dedicated significant effort to enhancing tools to better support BWRs, with a current focus on showcasing the BWR framework for high-burnup LOCA analysis. This high-fidelity work will demonstrate a best estimate pin-by-pin high-burnup BWR LOCA analysis to assess full-core cladding rupture behavior. This modeling capability will help with better understanding and realistic evaluation of fuel fragmentation, relocation, and dispersal (FFRD) phenomena at BWRs, which then could be used to prevent FFRD at BWRs without penalizing operational parameters. In addition, the results of this work will help identify strategies to identify additional margins or to potentially limit cladding rupture through core design optimizations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Fundamentals of Three-Terminal Tandem Solar Cells: a Comprehensive Taxonomy

Three-terminal tandem (3TT) solar cells can overcome some of the limitations of two- and four-terminal tandem designs. However, the coupled nature of the cells adds a degree of complexity to the devices themselves and the ways that their performance can be measured and reported. To facilitate understanding, we have developed a taxonomy which encompasses all types of 3TT devices, enabling a common nomenclature for discussing devices and performance. Once the physical devices, contact nodes, and loading circuitry have been self-consistently described, it becomes apparent that a wide range of 3TT devices share a common set of design and operating principles.

3T↗

Advanced Simulation and Experiments of Strongly Coupled Geomechanics and Flow for Gas Hydrate Deposits: Validation and Field Application. Final Report

The objectives of the proposed research are (1) to investigate geomechanical responses induced by depressurization experimentally and numerically; (2) to enhance the current numerical simulation technology in order to simulate complex physically coupled processes by depressurization and (3) to perform in-depth numerical analyses of two selected potential production test sites: one based on the deposits observed at the Ulleung basin UBGH2-6 site; and the other based on well-characterized accumulations from the westend Prudhoe Bay. To these ends, the recipient will have the following specific objectives: 1). Information obtained from multi-scale experiments previously conducted at the recipient’s research partner (the Korean Institute of Geoscience and Mineral Resources (KIGAM)) that were designed to represent the most promising known Ulleung Basin gas hydrate deposit as drilled at site UBGH2-6 will be evaluated (Task 2). These findings will be further tested by new experimental studies at Lawrence Berkeley National Laboratory (LBNL) and Texas A&M (TAMU) (Task 3) that are designed capture complex coupled physical processes between flow and geomechanics, such as sand production, capillarity, and formation of secondary hydrates. The findings of Tasks 2 and 3 will be used to further improve numerical codes. 2) Develop (in Tasks 4 through 6) an advanced coupled geomechanics and non-isothermal flow simulator (T+MAM) to account for large deformation and strong capillarity. This new code will be validated using data from the literature, from previous work by the project team, and with the results of the proposed experimental studies. The developed simulator will be applied to both Ulleung Basin and Prudhoe Bay sites, effectively addressing complex geomechanical and petrophysical changes induced by depressurization (e.g., frost-heave, strong capillarity, cryo-suction, induced fracturing, and dynamic permeability).

02 PETROLEUM↗

Spatiotemporal Thermal Coupling in VO 2 Device Arrays

Correlated oxides such as VO 2 exhibit an electrically driven insulator–metal transition (IMT) that underlies their promise for neuromorphic and memory devices. Yet the IMT is not a uniform bulk process but a spatiotemporal phenomenon in which local heating nucleates filaments, contracts or dissolves them with the electric field, and couples to the environment. In this work, we directly image the VO 2 IMT dynamics by mid-wave infrared, thermography synchronized with electrical transport, resolving device temperature with micrometer spatial and microsecond temporal resolution. At the single-device level, we capture the full cycle of filament nucleation, contraction, and relaxation during current/voltage-driven resistive switching. At the array level, we show that heat propagates across etched gaps with an effective length scale of ∼131 µm, enabling cooperative behaviors among electrically isolated devices. Short-range distanced devices exhibit mutual filament attraction and sequential dissolution, while long-range distanced devices differentiate into distinct roles: drivers that initiate switching, cooperative responders that undergo assisted self-oscillations, and passive reporters that record the thermal field. Furthermore, these results reframe thermal crosstalk, long regarded as parasitic, as an intrinsic coupling channel and design principle for organizing collective switching behaviors, with direct implications for emergent circuit functionality in neuromorphic and unconventional computing architectures.

coupling↗

Do not forget the electrons: Extending moderately-sized nuclear networks for multidimensional hydrodynamic codes

Context.Nuclear networks are widely used coupled with hydrodynamical simulations of explosive scenarios to account for the change of nuclear species and energy generation rate due to nuclear reactions. In this way, there is a feedback mechanism between the hydrodynamical state and the nuclear processes. Unfortunately, the timescale of nuclear reactions is orders of magnitude smaller than the dynamical timescale that drives hydrodynamical simulations. Therefore, these nuclear networks are usually very small, reduced in most cases to a dozen elements, especially when simulations are carried out in more than one dimension. Aims.We present here an extended nuclear network, with 90 species, designed for being coupled with hydrodynamic simulations, which includes neutrons, protons, electrons, positrons, and the corresponding neutrino and anti-neutrino emission. This network is also coupled with temperature, making it extremely robust and, together with its size, unique of its kind. The inclusion of electron captures on free protons makes the network very appropriate for multidimensional studies of Type Ia supernova explosions, especially when the exploding object is a massive white dwarf. Methods.We perform several tests that are relevant to simulate explosive scenarios, such as Type Ia supernovae and core-collapse supernovae. We compare the results of the 90 nuclei network with a standardα-chain network with 14 elements to evaluate the differences in the energy generation rate. We also evaluate the relevance of including the electrons in the network in terms of generated yields and how it affects the pressure of a degenerate fluid such as that of white dwarfs. The results obtained with the 90-nuclei network have been verified with a much larger 2000-nuclei network built from REACLIB (WinNet), in terms of nuclear energy generation rate, pressure, and produced yields. Results.The results obtained with the proposed medium-sized network compare fairly well, to a few percent, with those computed withWinNetin scenarios reproducing the gross physical conditions of current Type Ia supernova explosion models. In those cases where the carbon and oxygen fuel ignites at high density, the high-temperature plateau typical of the nuclear statistical equilibrium regime is well defined and stable, allowing large integration time steps. We show that the inclusion of electron captures on free protons substantially improves the estimation of the electron fraction of the mixture. Therefore, the pressure is better determined than in networks where electron captures are excluded, which will ultimately lead to more reliable hydrodynamic models. Explosive combustion of helium at low density, occurring near the surface layer of a white dwarf, is also better described with the proposed network, which gives nuclear energy generation rates much closer toWinNetthan typical reduced alpha networks. Conclusions.A nuclear network withN= 90 species, including electrons, aimed at multidimensional calculations of supernova explosions is described and verified. The proposed network is suitable for the study of Type Ia supernova explosions because it provides better values of pressure and electron abundance than other existing networks with smaller or even a similar size but without including electron capture processes.

Astronomy & Astrophysics↗

Optimization and Performance Characterization of the Second Generation Fermilab Constant Fraction Discriminator Readout ASIC

We present the optimization and performance characterization of the second-generation Fermilab Constant Fraction Discriminator ASIC (FCFD), designed for the readout of AC-coupled low-gain avalanche detector (LGAD) strip-sensors. The FCFD is explicitly engineered to be insensitive to signal-amplitude variations, thereby removing the need for time-walk correction that is required in other LGAD time-stamping readout ASICs. This updated version, referred to as FCFD1.1, incorporates several enhancements over the first iteration to address key challenges in AC-coupled LGAD front-end design. We outline the primary readout-ASIC design considerations for these applications, describe the methodology used to evaluate critical sensor and system parameters, and summarize the additionally implemented features. Performance measurements using injected charge signals and minimum-ionizing particles in test-beams demonstrate a time resolution of approximately 40 ps and a position resolution of roughly \SI{15}{\micro\meter} when tested with beam particles uniformly over the active area of the sensor.

Apresyan, Artur [Fermilab] (ORCID:0000000261860130↗

CASM — A software package for first-principles based study of multicomponent crystalline solids

CASM is a software package that enables first-principles based studies of crystalline materials. It has been designed to treat coupled chemical, mechanical, vibrational, and magnetic degrees of freedom to determine ground state and finite temperature properties of crystals. The symmetry of the underlying parent crystal structure is used to enumerate perturbations of the parent crystal structure and generate derivative structures which can be input to first-principles calculations in order to explore the ground state energy landscape. CASM algorithmically constructs cluster expansions that fully couple discrete and continuous degrees of freedom, and generates highly efficient code to evaluate the cluster expansion basis functions. Widely used machine learning methods are integrated for fitting expansion coefficients to first-principle calculations. The fully parameterized cluster expansions can be combined with (kinetic) Monte Carlo methods to calculate finite temperature thermodynamic and kinetic properties. CASM Alloy Manager identifies distinct parent crystal structures in an alloy system, creating individual projects for each, and integrating the results. The integrated infrastructure facilitates the linkage between first-principles statistical mechanics predictions with higher length scale computational methods, such as phase field simulations. In conclusion, CASM projects are designed to be easy to share in repositories, to re-use, and to extend to include additional chemical species or types of degrees of freedom.

36 MATERIALS SCIENCE↗

Decomposing Loosely Coupled Mixed-Integer Programs for Optimal Microgrid Design

Microgrids are frequently employed in remote regions, in part because access to a larger electric grid is impossible, difficult, or compromises reliability and independence. Although small microgrids often employ spot generation, in which a diesel generator is attached directly to a load, microgrids that combine these individual loads and augment generators with photovoltaic cells and batteries as a distributed energy system are emerging as a safer, less costly alternative. In this work, we present a model that seeks the minimum-cost microgrid design and ideal dispatched power to support a small remote site for one year with hourly fidelity under a detailed battery model; this mixed-integer nonlinear program (MINLP) is intractable with commercial solvers but loosely coupled with respect to time. A mixed-integer linear program (MIP) approximates the model, and a partitioning scheme linearizes the bilinear terms. We introduce a novel policy for loosely coupled MIPs in which the system reverts to equivalent conditions at regular time intervals; this separates the problem into subproblems that we solve in parallel. We obtain solutions within 5% of optimality in at most six minutes across 14 MIP instances from the literature and solutions within 5% of optimality to the MINLP instances within 20 minutes.

97 MATHEMATICS AND COMPUTING↗

Bio-inspired gas sensing: boosting performance with sensor optimization guided by “machine learning”

The performance of existing gas sensors often degrades in field conditions because of the loss of measurement accuracy in the presence of interferences. Thus, new sensing approaches are required with improved sensor selectivity. We are developing a new generation of gas sensors, known as multivariable sensors, that have several independent responses for multi-gas detection with a single sensor. In this study, we analyze the capabilities of natural and fabricated photonic three-dimensional (3-D) nanostructures as sensors for the detection of different gaseous species, such as vapors and non-condensable gases. We employed bare Morpho butterfly wing scales to control their gas selectivity with different illumination angles. Next, we chemically functionalized Morpho butterfly wing scales with a fluorinated silane to boost the response of these nanostructures to the vapors of interest and to suppress the response to ambient humidity. Further, we followed our previously developed design rules for sensing nanostructures and fabricated bioinspired inorganic 3-D nanostructures to achieve functionality beyond natural Morpho scales. These fabricated nanostructures have embedded catalytically active gold nanoparticles to operate at high temperatures of ≈300 °C for the detection of gases for solid oxide fuel cell (SOFC) applications. Our performance advances in the detection of multiple gaseous species with specific nanostructure designs were achieved by coupling the spectral responses of these nanostructures with machine learning (a.k.a. multivariate analysis, chemometrics) tools. Our newly acquired knowledge from studies of these natural and fabricated inorganic nanostructures coupled with machine learning data analytics allowed us to advance our design rules for sensing nanostructures toward the required gas selectivity for numerous gas monitoring scenarios at room and high temperatures for industrial, environmental, and other applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impact of Coherent Beam-Beam Interaction on the Collisionless Damping of the Transverse Coupled-Bunch Instability

In the EIC design, at high average-current operation, the transverse coupled-bunch instability (TCBI) induced by the long-range transverse resistive-wall wakefield in the electron storage ring (eSR) has a fast growth rate and requires efficient mitigation. A natural mitigation mechanism is provided by the beam-beam interaction at the interaction point (IP), which gives a strong Landau damping for the TCBI in the eSR. In this study, using a simplified simulation model, we investigate how this Landau damping from the beam-beam interaction behaves when the coherent beam-beam interaction at IP is considered. Our method and results will be presented in this paper.

Li, R.↗

DOE WPTO FY2021 Seedling End Report: Coupling Soil-Foundation Models to MHK Device Dynamic Models to Tighten the Design Envelope

The purpose of this Seedling project is to couple a marine renewable energy (MRE) dynamics simulation software with the soil-foundation models in the OC6 Phase II project [Bergua et al., 2021] and evaluate the software’s performance. This is a first step to accurately evaluating soil-foundation impacts on other types of MRE, like wave or current energy converters (WECs, CECs). OC6 Phase II compares offshore wind turbine (OWT) simulations using several different soil-foundation models to identify and fill key gaps in soil-foundation analyses. WEC-Sim was chosen to model the OC6 Phase II offshore wind turbine and various load cases because of its adaptability, accuracy of hydrodynamic loads, and ability to apply an arbitrary wind loading. Of the four methods used in OC6, the apparent fixity soil-foundation method was coupled with WEC-Sim. Technical challenges with flexible hydrodynamic bodies, added mass and external function libraries inhibited the ability to compare the WEC-Sim results to other OC6 participants. These challenges required that the WEC-Sim model of the OC6 OWT use a combination of rigid and flexible bodies to ensure a numerically stable solution. The rigid monopile creates a more stiff system and causes smaller amplitude motion under hydrodynamic loading and higher dominant frequency of motion under wind loading. These discrepancies are expected based on the increased stiffness of the WEC-Sim case.

16 TIDAL AND WAVE POWER↗

All‐Printed Ultrahigh‐Responsivity MoS 2 Nanosheet Photodetectors Enabled by Megasonic Exfoliation

Abstract Printed 2D materials, derived from solution‐processed inks, offer scalable and cost‐effective routes to mechanically flexible optoelectronics. With micrometer‐scale control and broad processing latitude, aerosol‐jet printing (AJP) is of particular interest for all‐printed circuits and systems. Here, AJP is utilized to achieve ultrahigh‐responsivity photodetectors consisting of well‐aligned, percolating networks of semiconducting MoS 2 nanosheets and graphene electrodes on flexible polyimide substrates. Ultrathin (≈1.2 nm thick) and high‐aspect‐ratio (≈1 μm lateral size) MoS 2 nanosheets are obtained by electrochemical intercalation followed by megasonic atomization during AJP, which not only aerosolizes the inks but also further exfoliates the nanosheets. The incorporation of the high‐boiling‐point solvent terpineol into the MoS 2 ink is critical for achieving a highly aligned and flat thin‐film morphology following AJP as confirmed by grazing‐incidence wide‐angle X‐ray scattering and atomic force microscopy. Following AJP, curing is achieved with photonic annealing, which yields quasi‐ohmic contacts and photoactive channels with responsivities exceeding 10 3 A W −1 that outperform previously reported all‐printed visible‐light photodetectors by over three orders of magnitude. Megasonic exfoliation coupled with properly designed AJP ink formulations enables the superlative optoelectronic properties of ultrathin MoS 2 nanosheets to be preserved and exploited for the scalable additive manufacturing of mechanically flexible optoelectronics.

2D materials↗