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1,692 records · Page 34

Evaluation of U10Mo Fuel Plate Performance Modeling Over Hot Isostatic Press and Hydraulic Bending for MURR DDE Plates

The United States High Performance Research Reactor Program’s objective is to reduce the amount of highly enriched uranium currently implemented in research reactors. The conversion of these research reactors requires designing a monolithic U10Mo plate fuel, with the fuel plate geometry being dependent on each research reactor. The process of forming the plates includes a hot isostatic pressing (HIP) to manufacture a prototypic plate. In the case of the Missouri University Research Reactor (MURR) design demonstration element (DDE) plate manufacture, plates that have been through HIP are then curved using dies and a hydraulic press to impart the desired curvature. Both fabrication processes impart residual stresses into each fuel plate region, with the curvature of the plates taking some regions of the fuel plate up to their material yield stresses, accompanied by plastic strain. The amount of plastic strain and stress imparted onto each MURR DDE plate is determined by the radius of curvature, thickness of each region, and overall width of the fuel plates. Furthermore, this work aims to predict the yield stresses and strain using ABAQUS to simulate the proposed fabrication process of the MURR DDE plates, accompanied by discussion over the stresses and strains as to their relation to nuclear fuel performance and the impact they will have during early irradiation.

ABAQUS

Circumventing data imbalance in magnetic ground state data for magnetic moment predictions

Abstract Magnetic materials play a crucial role in the transition to more sustainable forms of energy and electric vehicles. There is an anticipated shortage in magnetic materials in the future, and as a result there is an urgent need to discover and design new magnetic materials. Computational magnetic material design using density functional theory is daunting because of the challenge in identifying magnetic ground states from a combinatorially large set of possibilities. Machine learning offers a path forward by enabling efficient surrogate models that can more readily enumerate these states, but there is a dearth of training data available, and what is available tends to be imbalanced with too much non-magnetic data. In this work we show that the discrete and previously tackled data imbalance that exists at the level of the magnetic ordering leads to an imbalanced continuous distribution with many zeros when the data is unraveled at the atomic magnetic moment level, which subsequently leads to models with low accuracy for magnetic properties. We mitigate this by using a two-part model framework. Our scheme is able to classify atoms into magnetic and non-magnetic with an F1 score and Matthew’s correlation coefficient (MCC) of ~91% and then to provide an implicit embedding representation that maps directly onto the magnitude of the magnetic moment with a mean absolute error of 0.1 μ B . Beyond screening for new magnetic materials, we demonstrate an additional practical use case of our scheme: the provision of good initial guesses for magnetic moments in first-principles electronic relaxations. Such initialization is shown to lead to faster convergence to configurations that lie closer to the ground state.

Computer Science

Jumpstart Opportunities to Unleash Leadership in Energy Storage (JOULES)

Current-generation Li-ion batteries with cobalt- and nickel-containing cathodes and graphite anodes are approaching performance and cost limits. In this program, 24M Technologies, Inc. (24M) is teaming with the Massachusetts Institute of Technology (MIT) and University of Michigan (UM) to develop low cost and fast charging sodium metal batteries with good low-temperature performance and high energy density, building upon previous work performed under ARPA-E programs. Key achievements include optimization of solid electrolyte and anode current collector, optimized cathode active materials, development of high-performance electrolyte formulations, and integration of these components into full cells. The cell design incorporates (1) an ultra-thick cathode (>9 mAh/cm 2 ) comprising advanced cobalt-free, sodium cathode active material, (2) advanced fast-charging electrolyte (up to 12 mS/cm) developed using machine learning and automated high-throughput screening technology by UM, and (3) ceramic modified separator that enable smooth Na transport and deposition, developed at MIT, enabling a high-energy density anode-free configuration and maximizing the energy density of sodium batteries. The team has successfully combined these approaches to sodium chemistry and paved the way to meeting the fast-charging, high-energy density, and low-cost requirements of next-generation drone, electric vertical take-off and -landing, and electric vehicle batteries. Performance for anode-free sodium cells developed under this program is more powerful than the commercial Li-ion batteries. The final deliverable cell design has achieved over 300 Wh/kg and volumetric energy density above 800 Wh/L (Table 1). Additionally, the team has achieved over (1) a lifetime of 340 cycles, (2) 80% capacity retention at -20 °C (compared 25 °C), and (3) the ability to fast charge to 80% SOC in 20 minutes.

25 ENERGY STORAGE

Entanglement Structure of Non-Gaussian States and How to Measure It

Rapidly growing capabilities of quantum simulators to probe quantum many-body phenomena require new methods to characterize increasingly complex states. Here, we present a protocol that constrains quantum states using experimentally measured correlation functions. This method enables measurement of a quantum state’s entanglement structure, opening a new route to study entanglement-related phenomena. Our approach extends Gaussian state parameterizations by systematically incorporating higher-order correlations. We show the protocol’s usefulness in conjunction with current and forthcoming experimental capabilities, focusing on weakly interacting fermions as a proof of concept. Here, the lowest nontrivial expansion quantitatively predicts early time thermalization dynamics, including signaling the onset of quantum chaos indicated by the entanglement Hamiltonian.

Fermi gases

Decoupling the capacity fade contributions in polymer electrolyte-based high-voltage solid-state batteries

Polymer electrolyte (PE)-based solid-state batteries (PE-SSBs) made with high-voltage cathodes are known to suffer from severe capacity fade, stemming primarily from the poor oxidative stability of most PEs under high-voltage cycling conditions. PEs also suffer from greater ion-transport limitations compared to liquid or solid electrolytes. However, often, these limitations are collectively stated to be responsible for the observed capacity fade, and it is challenging to decouple the contributions of different factors. Herein, a tunable cell fabrication platform was developed to systematically investigate and decouple the two primary capacity fade drivers (cell impedance growth and kinetic limitations), while keeping the other cell parameters constant. Three PE types with distinct transport characteristics were compared. By utilizing a voltage profile analysis method, the contribution of the cell's internal impedance growth was quantitatively decoupled from the kinetic limitations stemming from the high concentration gradient in the polymer catholyte and slow charge transfer reactions. We demonstrate that the high interfacial impedance did not necessarily correlate with the high capacity fade rate. Kinetic limitations that are not reflected by impedance measurements can play a dominant role in causing cumulative capacity decay.

Ock, Ji-young [Oak Ridge National Laboratory (ORNL

Probing and Tuning Spatiotemporal pH Evolution in Aqueous Zinc Ion Batteries

Aqueous zinc-ion batteries (AZIBs) offer a combination of safety and low cost, but they suffer from dynamic pH fluctuations that drive parasitic reactions and capacity fading. In this review, we report the current mechanistic understanding of the dynamic pH evolution across the electrolyte-electrode interface and its role in triggering interphase instability. We summarize advanced strategies to regulate pH, including electrolyte engineering, electrode surface modification, and interphase construction. We further discuss current methods for probing pH dynamics and outline potential future approaches for gaining deeper mechanistic and design insights.

Zheng, Xueli [SLAC]

SAM Code Enhancements for Fission Product Tracking of Noble Gases and Metals in MSRs

This report documents fiscal year 2026 enhancements to the System Analysis Module (SAM) for modeling fission product transport in liquid-fueled molten salt reactors (MSRs). The work advances three principal areas: noble gas transport, noble metal deposition, and user interface improvements. The noble gas transport capability integrates drift-flux gas transport, Henry’s law two-film interphase mass transfer with pressure-based nucleation suppression, Knudsen-regime pore diffusion into porous graphite with a conjugate salt-graphite interface constraint, built-in material properties, five Sherwood-number mass transfer correlations including three derived from high-fidelity NekRS simulations, and xenon-135 reactivity feedback through SAM’s point-kinetics model. This work also presents a comprehensive verification test suite, including new analytically verified cases for pressure-dependent onset of interphase gas transfer in a stagnant vertical pipe, a postulated FLiBe-graphite Xe extraction permeator, a gravity riser with a fission-product source, and a descending pipe with gas redissolution driven by hydrostatic pressure. A machine learning framework for bubble rise velocity prediction in molten salt systems is developed and benchmarked on molten-salt and diverse aqueous bubble datasets. The best-performing fine-tuned transfer-learning networks achieve an 82% reduction in RMSE relative to the Clift correlation, and is implemented directly in SAM. The noble metal transport capability is developed, including a liquid-wall deposition model and a gas-surface flotation mechanism that transfers insoluble particles entrained by sparging gas to wetted structures. Verification tests and demonstration cases cover the surface deposition, flotation efflux, and flotation shedding. Finally, a new [SpeciesTransport] input structure replaces positional global vectors with selfcontained, order-independent, named species blocks, simplifies the specification of multiphase species and decay chains, and remains fully compatible with existing SAM input files. Together, these developments improve the physical fidelity, verification basis, and usability of SAM for system-level analyses of fissionproduct behavior in MSRs.

Mui, Travis (ORCID:0000000303736470)

Fast and Non‐equilibrium Uptake of Hydrogen by Pd Icosahedral Nanocrystals

Abstract We report for the first time that Pd nanocrystals can absorb H via a “single‐phase pathway” when particles with a proper combination of shape and size are used. Specifically, when Pd icosahedral nanocrystals of 7‐ and 12‐nm in size are exposed to H atoms, the H‐saturated twin boundaries can divide each particle into 20 smaller single‐crystal units in which the formation of phase boundaries is no longer favored. As such, absorption of H atoms is dominated by the single‐phase pathway and one can readily obtain PdH x with anyx in the range of 0–0.7. When switched to Pd octahedral nanocrystals, the single‐phase pathway is only observed for particles of 7 nm in size. We also establish that the H‐absorption kinetics will be accelerated if there is a tensile strain in the nanocrystals due to the increase in lattice spacing. Besides the unique H‐absorption behaviors, the PdH x (x=0–0.7) icosahedral nanocrystals show remarkable thermal and catalytic stability toward the formic acid oxidation due tothe decrease in chemical potential for H atoms in a Pd lattice under tensile strain.

Chemistry

Effect of magnetic fields on Urca rates in neutron star mergers

Isospin-equilibrating weak processes, called “Urca” processes, are of fundamental importance in astrophysical environments like (proto-)neutron stars, neutron star mergers, and supernovae. In these environments, matter can reach high temperatures of tens of MeVs and be subject to large magnetic fields. We thus investigate Urca rates at different temperatures and field strengths by performing the full temperature and magnetic-fielddependent rate integrals for different equations of state. We find that the magnetic fields play an important role at temperatures of a few MeV, especially close to or below the direct Urca threshold, which is softened by the magnetic field. At higher temperatures, the effect of the magnetic fields can be overshadowed by the thermal effects. Finally, we observe that the magnetic field influences the neutron decay rates more strongly than the electron-capture rates, leading to a shift in the flavor equilibrium.

electroweak interactions in nuclear physics

Solar Training and Education Partnership for Underserved Populations

Solar Landscape’s STEP-UP program provided high quality solar installation training in partnership with community-based organizations (CBOs) in various regions within the U.S. Solar Landscape leveraged internal subject matter experts (SME’s) industry guidance and regional training assessments to provide customized training designed to support the growing solar and broader energy sector. Upon completion of the program, the team assisted trainees and nonprofit partners with connections to Solar Landscape contractors as well as local and National residential solar installation companies to facilitate placement into careers and apprenticeships.

14 SOLAR ENERGY

How Distributed Energy Resources Can Support Resilience in Utility Distribution Networks

The goal of this webinar is to engage with electric utilities in the Midwest, particularly small public utilities, to understand the industry's needs for science tools to plan for winter resilience in the future, designing tools that will benefit electric power resilience in all communities. Michigan Tech leads this project with partners from multiple academic, government, and industry groups and asked NLR to present on DERs and laboratory tools and resources.

24 POWER TRANSMISSION AND DISTRIBUTION

Chevron Natural Gas Carbon Capture Technology Testing Project (Final Technical Report)

The objective of this project was to design, construct, commission, and operate an engineering scale post combustion carbon capture system to validate the technical maturity, operability, and scalability of Svante’s VeloxoTherm™ solid sorbent carbon capture technology under representative flue gas conditions. The project was executed at Chevron’s Kern River oil field in the San Joaquin Valley of California and evaluated carbon capture performance using slipstream flue gas from natural gas fired once through steam generators (OTSG), including indicative coal and natural gas combined cycle (NGCC) operating scenarios.

03 NATURAL GAS

Giant Exfoliation Induced Magnetic Coercivity in Fe 3 GaTe 2

Permanent magnets with strong anisotropy and high coercivity underpin modern information and energy technologies, yet rare-earth-free alternatives remain limited. Here, we show that thickness engineering via mechanical exfoliation induces hard magnetic behavior in the van der Waals ferromagnet Fe 3 GaTe 2 . Bulk crystals exhibit Curie temperatures above 350 K but negligible room-temperature coercivity. When thinned below ∼100 nm, the coercive field is dramatically enhanced, reaching nearly 1 T at room temperature for in-plane fields—comparable to conventional hard magnets. Micromagnetic analysis reveals a crossover in magnetization reversal from domain-mediated processes in bulk samples to quasi-coherent rotation in thin flakes, driven by increased effective anisotropy and suppressed domain formation. This thickness-dependent transition enables tuning of magnetic hardness without chemical modification. Combined with high saturation magnetization and robust room-temperature performance, Fe 3 GaTe 2 emerges as a promising rare-earth-free material for spintronic applications. Its layered structure further allows integration into van der Waals heterostructures, where large in-plane coercivity can stabilize magnetic states against perturbations and interlayer coupling, offering potential for high-density nonvolatile memory and domain-wall-based devices.

36 MATERIALS SCIENCE

Operando neutron radiography validates a parameter-free transport–kinetics model for thick solid-state battery cathodes

Tortuosity-weighted interfacial flux for lithium (TWIF-Li) predicts through-thickness Li gradients in thick composite all-solid-state cathodes without fitted parameters. Image-derived microstructures, GITT-derived concentration-dependent solid diffusion, and tortuosity-weighted interfacial kinetics reproduce operando neutron radiography across practical rates, delivering transferable design rules to suppress transport-limited reaction fronts.

Adam, Andre [ORNL] (ORCID:0000000245023033)

Modeling a generic TRISO-fueled heat pipe microreactor using SCALE: Depletion, transportation criticality, and shielding

This paper demonstrates the applicability of the SCALE code system to tristructural-isotropic (TRISO)-fueled heat pipe microreactors through depletion, transportation criticality, and shielding analyses of a generic reference design. The study conducted supports US Nuclear Regulatory Commission code readiness efforts for advanced non–light-water reactor technologies and is intended as a code capability demonstration rather than as an optimization of a specific microreactor design. The modeled reactor employs high-assay low-enriched uranium (HALEU) uranium oxycarbide (UCO) TRISO fuel and beryllium oxide (BeO) reflectors and operates at 7.5 MWth with a nominal lifetime of about 3 effective full power years. Representative cases for fresh and irradiated cores were selected to exercise SCALE methods relevant to reactor operation and post-irradiation transport. The discharged-core decay heat is approximately 6% of operating power immediately after shutdown. Transportation criticality calculations show that internal water ingress is the dominant reactivity effect, with fully flooded fresh core and irradiated core configurations remain above the subcriticality criterion, even with the available control mechanisms. Shielding calculations for a simplified transportation package indicate that normal-condition dose rates are governed mainly by shielding thickness and cooling time, whereas the breached hypothetical accident case is governed primarily by cooling time. Overall, the study shows that SCALE supports depletion, transportation criticality, and shielding evaluations efficiently for TRISO-fueled heat pipe microreactors within a single code system.

Criticality

Evaluating Polymer Properties with Different Additives for Carbon Capture and Other Applications

Anthropogenic climate change is one of this generation’s most pressing concerns, with the potential to completely alter the delicate balance we’ve struck with nature. Already, global temperatures have risen 1.29°C, leading to disrupted weather systems, extinctions, increased risks of wildfires, and sea level rise, to name a few effects. Carbon dioxide emission from the combustion of fossil fuels and other industrial activity is a large driver of this phenomenon, as it absorbs heat before it can be radiated away from Earth, trapping it. Carbon dioxide has reached unprecedented levels in our atmosphere, showing a 50% increase from preindustrial averages to a whopping 430 ppm. Thus, reducing the amount of carbon dioxide via carbon capture technology is an important endeavor that serves to benefit everyone. The Microencapsulated CO 2 Sorbent (MECS) team at Lawrence Livermore National Laboratory (LLNL) has turned to microencapsulation to approach this endeavor. Microcapsules provide an attractive approach to carbon capture, combining large surface areas for more efficient mass transfer, regenerative abilities, reduced solvent loss, and improved handling. Additionally, while existing carbon capture technology relies on industrial plants, capsules could present a modular approach to carbon capture, reducing the need for extensive physical infrastructure. The MECS team’s design consists of a polymer membrane that contains a liquid carbon sequestering sorbent, aqueous sodium carbonate. The carbon capturing reaction occurs in three distinct steps, the first of which is the dissolution of carbon dioxide into the sorbent solution and its conversion into carbonic acid (H 2 CO 3 ), shown in equations 1 and 2 respectively. Because this step hinges upon the ability of carbon dioxide to reach the solution inside the capsule, it is necessary that the microcapsule shell is permeable to carbon dioxide gas. The MECS team produces these microcapsules using the in-air droplet encapsulation apparatus (IDEA) shown in figure 1, which can produce uniform micron-scale droplets at speeds much faster than traditional single-dispersal microfluidic-based techniques. The IDEA Is 100 times faster than these current techniques and can reach up to 1000 times their speed when incorporating a multi-nozzle design. Additionally, because droplets are produced in-air via vibration, IDEA can decrease post-processing times and material waste by 99% and can fabricate microgels that are 10 to 100 times more viscous than can be produced via traditional microfluidics. While this design represents a breakthrough in the throughput, efficiency, and tunability of microcapsule production, it imposes a major constraint on the microcapsule curing process. Because microcapsule shells are crosslinked with UV light while falling 30 cm through the air, this gives them a reaction window of approximately 0.2 seconds. Thus, the system and shell formulations must be optimized such that the shells can be fully crosslinked within this very narrow window, prompting investigations into curing behavior.

36 MATERIALS SCIENCE

Activity-induced migration of viscous droplets on a solid substrate

Active matter exploits motion to induce changes in shape and conformation via external input. Here, in this paper, we establish theoretically that viscous liquid droplets containing magnetic nanoparticles with frozen-in magnetic moments, sitting on a solid substrate and surrounded by an ambient gas phase, can deform and migrate under the influence of a magnetic torque. The effect arises because the collective rotation of the magnetic nanoparticles at the liquid–gas interface tilts the droplet away from a symmetric configuration, breaks the reflection symmetry with respect to the centre axis, and leads to a left–right asymmetry of the contact angles. A sufficiently strong magnetic torque leads the contact angles to overcome hysteresis effects leading the droplet to migrate. We develop a general framework to explain how symmetry-breaking affects droplet migration. Thus previous results of droplet spreading and migration can be recovered as special cases. Such droplets can be employed as agents in active surfaces and can move against gravity, chemical and thermal gradients, providing a mechanism that could be utilized by both industry and medicine.

Aggarwal, A. [Northwestern Univ., Evanston, IL (Un

Spatiotemporal Studies of Soluble Inorganic Nanostructures with X‐rays and Neutrons

This Review addresses the use of X-ray and neutron scattering as well as X-ray absorption to describe how inorganic nanostructured materials assemble, evolve, and function in solution. We first provide an overview of techniques and instrumentation (both large user facilities and benchtop). We review recent studies of soluble inorganic nanostructure assembly, covering the disciplines of materials synthesis, processes in nature, nuclear materials, and the widely applicable fundamental processes of hydrophobic interactions and ion pairing. Reviewed studies cover size regimes and length scales ranging from sub-Ångström (coordination chemistry and ion pairing) to several nanometers (molecular clusters, i.e. polyoxometalates, polyoxocations, and metal-organic polyhedra), to the mesoscale (supramolecular assembly processes). Reviewed studies predominantly exploit 1) SAXS/WAXS/SANS (small- and wide-angle X-ray or neutron scattering), 2) PDF (pair-distribution function analysis of X-ray total scattering), and 3) XANES and EXAFS (X-ray absorption near-edge structure and extended X-ray absorption fine structure, respectively). While the scattering techniques provide structural information, X-ray absorption yields the oxidation state in addition to the local coordination. Our goal for this Review is to provide information and inspiration for the inorganic/materials science communities that may benefit from elucidating the role of solution speciation in natural and synthetic processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH