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51 records · Page 2

Dielectric Spectroscopy Cable NDE for Unequal Aging Over Different Lengths

This Pacific Northwest National Laboratory milestone report assesses the effect of unequal aging over different lengths of cable on dielectric spectroscopy (DS) bulk impedance measurements from the cable end. DS measurements can indicate the remaining useful life of cables; however, most benchmark tests are based on accelerated aging of the entire cable. If only a portion of the cable is exposed to a harsh environment (as is frequently the case), the DS measurement will indicate a significantly less-aged cable than if the entire cable were exposed to a uniform environmental stress. The DS measurement is primarily related to the intrinsic insulation material relative permittivity—typically between 1.5 and 3.0. Insulation aging increases permittivity and, correspondingly, the cable’s overall capacitance measured from the cable end. To judge the health of the overall cable system, operators are primarily interested in the condition of the most severely aged section since that is where a failure is most likely to occur. This can be expressed as the dimensionless relative permittivity of the severely aged section divided by the permittivity of a pristine cable. This relative permittivity is an intrinsic material parameter independent of cable length and can serve as a quantitative indication of the insulation condition. If the relative percentages of cable exposed to a harsh and benign environment are known, the DS measurement of the entire cable length, including both pristine and aged sections, can be compensated to predict the relative permittivity (relative to pristine permittivity) of the most severly aged segment. A test was performed on three 50 ft (16 m) cables with 10%, 50%, and 90% of the cable inside a thermal aging oven. Predictably, the aging effect on the DS response was greatest in the 90% sample, followed by the 50% sample, and then the 10% sample. The more interesting result is the ratio of the aged insulation permittivity to the pristine insulation permittivity. Based on prior work, an end-of-life cable has a value of approximately 1.35. If the relative percentages of pristine and severely aged cable lengths are known, and the total cable-length capacitance of the initial pristine cable and the combined pristine plus aged cable are known, the relative aged permittivity (ratio of aged section permittivity / pristine section permittivity) can be estimated. The relative cable lengths exposed to a harsh environment may be known or estimated based on plant layout drawings or cable reflectometry tests that can locate the oven entry and exit points. The compensation was verified using a lumped-parameter model to predict the aged-segment permittivity e2/e1, where e2 is the aged-segment permittivity and e1 is the pristine-segment permittivity. For all three percentages of aged cable lengths, the ratio was quite similar, as would be expected since all cable segments were exposed to the same aging environment. This ratio of aged permittivity to pristine permittivity can be compared to other damage indicating tests, including elongation at break, to assess cable condition.

ARENA Test Bed

Tuning Anisotropic Optical Properties of Inorganic and Hybrid Organic–Inorganic MXenes via Topochemical Surface Modification

Surface groups are central to the properties of MXenes, yet their role in optical anisotropy remains largely unexplored. Here, we use a topochemical route to synthesize single crystals of stacked Ti 3 C 2 Cl 2 and hybrid organic–inorganic MXenes (h-MXenes) with lateral sizes of 38–75 μm, rotational registry, and tunable interlayer spacing. Solid-state NMR spectroscopy shows that topochemical substitution generates mixed amido, imido, and hydride surface motifs, which modify the electronic structure of the Ti 3 C 2 inorganic core. Imaging spectroscopic ellipsometry with micron-scale spatial resolution enables reconstruction of the complex dielectric tensor of individual multilayer crystals. Ti 3 C 2 Cl 2 exhibits a type-II hyperbolicity above 930 nm, whereas h-MXenes do not display hyperbolicity within the measured 300–1700 nm window, instead showing reduced in-plane conductivity, suppressed out-of-plane light absorption, and a chain-length-dependent blue shift of a near-infrared absorption feature. These results demonstrate topochemical surface modification as a direct handle for engineering MXenes as surface-programmable optical media.

Hybrid materials

Temperature as a control knob on spin-orbit coupling

Spin-orbit coupling (SOC) governs many physical phenomena. Through ab initio molecular dynamics simulations, Lu and Sun demonstrated that structural disorder at elevated temperatures substantially reduces the effective SOC contribution that stabilizes band inversion, driving a topological-to-normal-insulator transition in Bi2Se3. Their work identifies temperature as a meaningful control parameter for SOC-mediated topology and other properties.

Liang, Liangbo [ORNL] (ORCID:0000000311990049)

Accessing bands with extended quantum metric in kagome Cs 2 Ni 3 S 4 through soft chemical processing

Flat bands that do not merely arise from weak interactions can produce exotic physical properties, such as superconductivity or correlated many-body effects. The quantum metric can differentiate whether flat bands will result in correlated physics or are merely dangling bonds. A potential avenue for achieving correlated flat bands involves leveraging geometrical constraints within specific lattice structures, such as the kagome lattice; however, materials are often more complex. In these cases, quantum geometry becomes a powerful indicator of the nature of bands with small dispersions. We present a simple, soft-chemical processing route to access a flat band with an extended quantum metric below the Fermi level. By oxidizing Ni-kagome material Cs 2 Ni 3 S 4 to CsNi 3 S 4 , we see a two orders of magnitude drop in the room temperature resistance. However, CsNi 3 S 4 is still insulating, with no evidence of a phase transition. Using experimental data, density functional theory calculations, and symmetry analysis, our results suggest the emergence of a correlated insulating state of unknown origin.

Science & Technology - Other Topics

FY26 Progress on Demonstration of a Multiphysics Steady State Capability for Modeling Core Radial Expansion in SFRs

Under the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism in liquid metal-cooled fast reactors and involves multiphysics effects including radiation transport, fluid flow, heat transfer, and mechanical response to temperature and flux gradients. This report summarizes recent progress on developing a multiphysics, MOOSE-based workflow to predict core bowing and associated reactivity feedback. Significant new capabilities in the reactor physics code Griffin - sodium backfill and pin power reconstruction for deformed geometries - were applied in this effort. This year’s work included verification, code comparisons, sensitivity studies, and coupled demonstrations that advance the state of MOOSE-based core bowing workflow. Griffin’s sodium backfill capability was verified by demonstrating that its automated treatment of geometry expansion and material-density updates reproduces manual calculations exactly, confirming solid mass conservation and proper coolant backfilling in expanded geometries. Reconstructed pin powers were compared for Griffin’s ductheterogeneous and ring-heterogeneous treatments in single-, seven-, and nineteen-assembly cases, with best agreement observed in lower-leakage configurations and the duct-heterogeneous approach offering substantially lower computational cost. Thermal-hydraulic sensitivity sensitivities showed that MOOSE SCM, SAM, and CFD are expected to produce similar deformation predictions despite variances in their temperature predictions, and that explicit treatment of inter-assembly flow becomes increasingly important as gap flow rate increases. Finally, coupled demonstrations on small multi-assembly configurations using Griffin, MOOSE Solid Mechanics, MOOSE SCM, and Heat Conduction produced physically consistent reactivity feedback from thermal expansion and bowing. The coupled demonstrations simulated grid plate expansion as well as resultant core bowing at full power conditions. Simplifications were made in current workflow, namely the assumption of instantaneous full power conditions following hot zero power, and pre-expanding the Griffin geometry axially due to lack of an axial fuel pin expansion model and temperature feedback to Griffin.

Wozniak, Nicholas

Storing Affordability: Battery Storage as an Asset to Reduce Data Center Cost Shifts

This report examines how battery energy storage systems (BESS) can help utilities accommodate large load growth while protecting affordability for existing ratepayers. Rapid growth in electricity demand from artificial intelligence (AI) data centers is straining the U.S. grid. Furthermore, many new data centers are entering rural markets, which could offer economic benefits but may also pose implementation challenges for smaller utilities. At the same time, retail electricity prices are increasing faster than inflation, elevating customer affordability as a key challenge. While data centers have not been the primary driver of increases in residential prices to date, they have pushed wholesale energy and capacity prices higher in several markets. Fundamental utility cost-allocation principles show that data center growth can be rate-positive for existing customers only if new peak demand grows faster than the costs a utility must incur to serve it. Several factors, including a utility’s degree of wholesale market exposure, forecast uncertainty and stranded-asset risk, and tariff design can determine the outcome of load growth on retail rates. Energy storage can make several affordability contributions in the face of this landscape of uncertainty and market volatility, including deferral of higher-cost grid investments through improved utilization of existing assets and flexibility of new large loads, insulation from volatile wholesale prices through peak shaving, and reliability support to address grid risks stemming from the behavior of AI data center loads. Different potential BESS deployment pathways—utility-scale front-of-the-meter systems, aggregated small-scale storage installations, and data center-sited behind-the-meter storage—are compared against each other and against conventional capacity alternatives. This framework is intended as a conceptual resource to utilities, particularly smaller public utilities with rural service territories, who may be considering the role that energy storage can play in insulating existing ratepayers from data center cost shifts.

25 ENERGY STORAGE

Durability of ABC Team Wall Assemblies

This study evaluates the long-term hygrothermal durability of four advanced retrofit wall systems using a field test facility located in Hollywood, South Carolina, representative of a mixed-humid coastal climate (Zone 3). The research focuses on assessing the thermal and moisture performance of a baseline wall assembly retrofitted with (1) Tremco/Dryvit prefabricated panel systems (Revitalite and Fedderlite), (2) Reinforced Fiberglass Plastic (RFP) panels developed by Oak Ridge National Laboratory (ORNL), and (3) Vacuum Insulated Panels (VIP) integrated with EPS by Home Innovation Research Labs (HIRL) and ORNL. A baseline wall representing a typical uninsulated wood-frame construction was used for comparison.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Simple device modification simultaneously enhances indoor passive evaporative cooling power and duration

Passive evaporative cooling from a damp cloth or vessel can be used for localized cooling of perishables such as food and medicine, drinking water, and even people. Such applications have two key objectives, which are normally in tension with each other: minimizing the water consumption rate and maximizing the cooling (steady-state temperature swing between the cool cloth and the warm surroundings). Here, we present a simple device that delivers higher performance in both metrics simultaneously by adding a perforated aluminum foil sheet suspended over a stagnant air layer to thermally shield the evaporating surface while also facilitating mass transfer. Experimental results demonstrate a simultaneous 10%–25% increase in temperature swing and 2–3× reduction in water consumption rate as compared to conventional evaporative cooling. This improvement is achieved through careful modeling to optimize the coupled heat and mass transfer through the airgap (thermally insulating and vapor permeable) and perforated foil (infrared reflective and vapor permeable).

Chen, Sarah Mizuno

Polymer-assisted transfer of MBE-grown van der Waals materials

Molecular beam epitaxy (MBE) has been used to create high-quality, large-scale two-dimensional van der Waals (2D vdW) materials. However, due to the strong adhesion between the substrate and deposited materials, the peel-off and dry transfer of MBE-grown vdW films onto other substrates has been challenging. This limits the study and use of MBE films for heterogeneous integration including stacked and twisted heterostructures. In this work, we develop a polymer-assisted dry transfer method and successfully perform full-film transfer of various MBE-grown 2D vdW materials including transition metal dichalcogenides (TMD), topological insulators (TI) and 2D magnets. In particular, we transfer air-sensitive 2D magnets, characterize their magnetic properties, and compare them with as-grown materials. The results show that the transfer technique does not degrade the magnetic properties, with the Curie temperature and hysteresis loops exhibiting similar behaviors after the transfer. Our results enable further development of heterogeneous integration of 2D vdW materials based on MBE growth.

Li, Ziling [The Ohio State University]

Reconfigurable Cascaded Thermal Neuristors for Neuromorphic Computing

While the complementary metal-oxide semiconductor (CMOS) technology is the mainstream for the hardware implementation of neural networks, an alternative route is explored based on a new class of spiking oscillators called “thermal neuristors”, which operate and interact solely via thermal processes. Utilizing the insulator-to-metal transition (IMT) in vanadium dioxide, a wide variety of reconfigurable electrical dynamics mirroring biological neurons is demonstrated. Notably, inhibitory functionality is achieved just in a single oxide device, and cascaded information flow is realized exclusively through thermal interactions. To elucidate the underlying mechanisms of the neuristors, a detailed theoretical model is developed, which accurately reflects the experimental results. In conclusion, this study establishes the foundation for scalable and energy-efficient thermal neural networks, fostering progress in brain-inspired computing.

36 MATERIALS SCIENCE

Pressure induced modification of electronic and magnetic properties of MnCrNbAl and MnCrTaAl

Spin-gapless semiconductor (SGS) is a new class of material that has been studied recently for potential applications in spintronics. This material behaves as an insulator for one spin channel, and as a gapless semiconductor for the opposite spin. In this work, we present results of a computational study of two quaternary Heusler alloys, MnCrNbAl and MnCrTaAl that have been recently reported to exhibit spin-gapless semiconducting electronic structure. In particular, using density functional calculations we analyze the effect of external pressure on electronic and magnetic properties of these compounds. It is shown that while these two alloys exhibit nearly SGS behavior at optimal lattice constants and at negative pressure (expansion), they are half-metals at equilibrium, and magnetic semiconductors at larger lattice constant. At the same time, reduction of the unit cell volume has a detrimental effect on electronic properties of these materials, by modifying the exchange splitting of their electronic structure and ultimately destroying their half-metallic/semiconducting behavior. Thus, our results indicate that both MnCrNbAl and MnCrTaAl may be attractive for practical device applications in spin-based electronics, but a potential compression of the unit cell volume (e.g. in thin-film applications) should be avoided.

Materials Science

The critical role of intrinsic defects and many-body interactions on the stability of MnBi2Te4

Intrinsic antisite defects pose a major challenge to understanding and predicting the exotic properties of the layered topological magnetic insulator MnBi2Te4 (MBT). In this work, we study the origin of the abundance of intrinsic defects in MBT, including many-body defect–defect interactions and many-body electronic correlations. Until now, ab initio methods have struggled to explain thermodynamic stability and properties influenced by defect behavior in MBT. We model native Mn–Bi antisite defects in MBT at finite temperatures using a cluster expansion that includes defect–defect interactions. To overcome the limitations of conventional density functional theory (DFT), we introduce a hybrid approach that incorporates high-accuracy quantum Monte Carlo (QMC) calculations, introducing missing correlations. This strategy allows for accurate estimation of defect energetics and finite-temperature properties. We compute the configurational free energy, defect concentration, and configurational heat capacity, revealing a second-order order–disorder phase transition near the experimental synthesis temperature. Our study provides the first theoretical insight into the thermodynamics of intrinsic defects in MBT. The negative free energy relative to pristine MBT at synthesis temperatures indicates that Mn–Bi antisite formation is thermodynamically spontaneous. We also present a broadly applicable general framework for correcting low-level theoretical theories using highly accurate many-body corrections from QMC.

Ghaffar, Abdul [ORNL] (ORCID:0000000241190168)

Design Strategies Based on Electronic Interactions for Effective Catalysts in Lithium–Sulfur Batteries

Abstract Lithium–sulfur batteries (LSBs) are considered promising next‐generation batteries due to their high energy density (>500 W h kg −1 ). However, LSBs exhibit an unsatisfactory energy density (<400 W h kg −1 ) and cycle life (<300 cycles) because of the shuttle effect caused by soluble lithium polysulfide (LiPS) intermediates and the sluggish conversion reaction kinetics caused by insulating sulfur (S 8 ) and lithium sulfide (Li 2 S). Although various types of catalysts, including metal‐based compounds to single‐atom catalysts, have been reported to address these issues, most catalysts exhibited limited catalytic activity under practical lean electrolyte conditions (<5 µL mg −1 ). A comprehensive understanding of the synthetic strategy and catalytic mechanism of catalysts is essential for their design, but understanding the electronic effects of the catalysts and LiPS is more important. Furthermore, the electronic design of these catalysts is not well understood. In this review, we introduce the catalytic mechanisms in LSBs and discuss catalyst design strategies in terms of electronic effects on the interactions between reactants and catalysts, with a primary focus on heterogeneous catalytic systems. We additionally consider how the electronic property of homogeneous systems, particularly redox mediators, affects catalytic behavior under lean electrolyte conditions and propose future research directions for catalyst development in LSBs.

Chemistry

Defect-induced displacement of topological surface state in quantum magnet MnBi2Te4

The topological magnet MnBi2⁢Te4 (MBT), with gapped topological surface state, is an attractive platform for realizing quantum anomalous Hall and axion insulator states. However, the experimentally observed surface state gaps fail to meet theoretical predictions, although the exact mechanism behind the gap suppression has been debated. Recent theoretical studies suggest that intrinsic antisite defects push the topological surface state away from the MBT surface, closing its gap and making it less accessible to scanning probe experiments. Here, we report on the local effect of defects on the MBT surface states and demonstrate that high defect concentrations lead to a displacement of the surface states well into the MBT crystal, validating the theorized mechanism. The local and global influence of antisite defects on the topological surface states are studied with samples of varying defect densities by combining scanning tunneling microscopy, angle-resolved photoemission spectroscopy, and density functional theory. Our findings identify a combination of increased defect density and reduced defect spacing as the primary factors underlying the displacement of the surface states and suppression of surface gap, guiding further development of topological quantum materials.

Lupke, Felix [Carnegie Mellon University (CMU)]

Transforming Windows from Energy Liabilities to Zero-Energy Assets: Next-Generation Solutions for Buildings

Windows have traditionally contributed to a building's HVAC load, but they can also become a source of net energy gain or even operate as zero-energy components. For heating applications, highly insulating windows can harness more solar heat than the energy lost through them, transforming windows from energy liabilities to assets. Dynamic glazings provide further benefits by regulating solar heat gain, reducing cooling loads in summer and heating demands in winter. This simulation study focuses on developing the next generation of zero-energy windows (ZEW) for residential new construction. Through annual energy simulations across climate zones 1-8, ZEW performance benchmarks were established based on current code-level buildings, and we've identified the regions where meeting ZEW standards are most achievable. This work evaluates both static and dynamic window technologies, assessing their effects on annual energy use and cost. Key findings demonstrate that ZEW performance is achievable across diverse climate zones, with specific regional requirements. Most climate zones from 3-8 can achieve ZEW with specific configurations, while some warm climates (1-2) appear challenging for ZEW implementation. Climate zones 4-6 consistently allow for zero energy window implementation, offering multiple pathways through either static or dynamic window technologies. Colder climate zones (7-8) ZEW products allow for higher SHGC values while requiring low U-values.

Yu, Lili

Unveiling field-transverse spin anisotropy in the spin liquid candidate α-RuCl3 via spin Hall magnetoresistance

α-RuCl3 has emerged as a possible candidate for a quantum spin liquid (QSL) that promises exotic quasiparticles relevant for fault-tolerant quantum computation. Here, we report spin-sensitive transport measurements using a proximal spin Hall metal, platinum (Pt), to probe magnetic moments in the insulator α-RuCl3. We observe spin Hall magnetoresistance (SMR), where both the transverse and longitudinal resistivities exhibit angular oscillations between the in-plane magnetic field and the current, driven by the interplay between the spin Hall effect in Pt and local magnetic moments in α-RuCl3. These oscillations occur from 1.5 to 18 T, covering the zigzag antiferromagnetic, putative QSL, and supposedly partially field-polarized phases. The phase of the SMR oscillations suggests that the local moments, whether static or fluctuating, develop spin anisotropy with a quantization axis in-plane and largely transverse to the magnetic field across all fields from 1.5 to 18 T. Temperature dependence indicates that the spin anisotropy operates at an energy scale similar to that of the reported QSL signatures in α-RuCl3.

Idzuchi, Hiroshi [Tohoku University, Japan]

Anomalous superconductivity in twisted MoTe 2 nanojunctions

Introducing superconductivity in topological materials can lead to innovative electronic phases and device functionalities. Here, we present a unique strategy for quantum engineering of superconducting junctions in moiré materials through direct, on-chip, and fully encapsulated 2D crystal growth. We achieve robust and designable superconductivity in Pd-metalized twisted bilayer molybdenum ditelluride (MoTe 2 ) and observe anomalous superconducting effects in high-quality junctions across ~20 moiré cells. Unexpectedly, the junction develops enhanced, instead of weakened, superconducting behaviors, exhibiting fluctuations to a higher critical magnetic field compared to its adjacent Pd 7 MoTe 2 superconductor. In addition, the critical current further exhibits a notable V-shaped minimum at zero magnetic field. These features are unexpected in conventional Josephson junctions and absent in junctions of natural bilayer MoTe 2 created using the same approach. We discuss implications of these observations, including the possible formation of mixed even- and odd-parity superconductivity at the moiré junctions. Our results also demonstrate a pathway to engineer and investigate superconductivity in fractional Chern insulators.

Science & Technology - Other Topics