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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 181 records · Page 10

A LOCA Analysis Tool: Coupling RELAP5-3D to BISON

Experimental evidence illustrates that at burnups slightly above the current regulatory limit of a rod-averaged burnup of 62 MWd/kgU, the ceramic UO 2 inside light-water reactor fuel rods becomes susceptible to a phenomenon known as fuel fragmentation, relocation, and dispersal (FFRD) during a loss of coolant accident (LOCA) transient. The severity of FFRD is strongly influenced by the zirconium-based (Zircaloy) cladding behavior during the LOCA transient. A Technology Commercialization Fund (TCF) project was awarded to an Electric Power Research Institute (EPRI)/Idaho National Laboratory team to create a LOCA analysis tool that couples BISON to the systems/thermal-hydraulics code RELAP5-3D [1] for analysis of LOCA scenarios. In addition, further refinements to existing BISON models were identified as necessary to more accurately represent more recent experimental evidence from the Studsvik Cladding Integrity Project (SCIP) and other experimental programs.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Electric‐Field‐Driven Reversal of Ferromagnetism in (110)‐Oriented, Single Phase, Multiferroic Co‐Substituted BiFeO 3 Thin Films

Abstract While multiferroic materials are attractive systems for the promise of ultra‐low‐power‐consumption computational technologies, electric‐field‐induced magnetization reversal is a key challenge for realizing devices at scale. Though significant research efforts have been working toward the realization of a material which couples ferroelectricity and ferromagnetism, there are few, even composite, systems which are practical for device scale applications at room temperature. Co‐substituted multiferroic BiFe 0.9 Co 0.1 O 3 is a promising candidate system, due to coupled ferroelectricity and weak ferromagnetism at room temperature. Here, it is theoretically indicated that the ferroic orders in this material are statically coupled, where an in‐plane 109° ferroelectric switching event can result in the reversal of this out‐of‐plane component of magnetization, and the electric field‐induced magnetization reversal is experimentally observed. Such an in‐plane poling configuration is particularly desirable for device applications.

Chemistry↗

Large Electrically and Chemically Tunable Rashba–Dresselhaus Effects in Ferroelectric CsGeX 3 (X = Cl, Br, I) Perovskites

Rashba–Dresselhaus effects, which originate from spin–orbit coupling and allow for spin manipulations, are actively explored in materials, following the pursuit of spintronics and quantum computing. However, materials that possess practically significant Rashba–Dresselhaus effects often contain toxic elements and offer little opportunity for the tunability of the effects. We used first-principles simulations to reveal that the recently discovered halide ferroelectrics in the CsGeX 3 (X = Cl, Br, I) family possess large and tunable Rashba-Dresselhaus effects. In particular, they give origin to the spin splitting of up to 171 meV in the valence band of CsGeI 3 . The value is chemically tunable and can decrease by 25% and 70% for CsGeBr 3 and CsGeCl 3 , respectively. Such chemical tunability could result in the engineering of desired values through a solid solution technique. Application of an electric field was found to result in structural changes that could decrease and increase spin splitting, leading to electrical tunability of the effect. In the vicinity of conduction and valence band extrema, the spin textures are mostly of the Rashba type, which is promising for spin-to-charge conversion applications. The spin directions are coupled with the polarization direction, leading to Rashba-ferroelectricity cofunctionality. Furthermore, our work identifies lead-free perovskite halides as excellent candidates for spin-based applications and is likely to stimulate further research in this direction.

Electric fields↗

The relative influences of hydrologic information and dams’ hydropower scheduling decisions on electricity price forecasts

Price dynamics in wholesale electricity markets are driven by supply and demand. In markets with hydroelectric dams, the timing and amount of hydropower offered can influence prices in similar ways to wind and solar power. Unlike variable renewable energy, however, the supply of hydropower in wholesale markets is a function of both water availability and operational decisions at dams. Dam operators maximize revenues in wholesale markets by aligning generation with the periods of highest expected prices, and these scheduling decisions may in turn influence prices. Here, we examine the relative importance of two types of information in predicting forward electricity prices: a) water availability at dams, in the form of short-to-medium-range hydrological forecasts; and b) hourly scheduling decisions at dams. Using softly coupled hydrologic, hydropower scheduling, and power systems models spanning the U.S. Western Interconnection, we quantify the importance of hydrologic forecast accuracy in correctly predicting wholesale electricity prices and compare this with the influence of dam operators’ own hourly scheduling decisions on realized market prices. We find that aligning hydropower generation schedules with the periods of high forecasted prices causes larger, inadvertent price forecast errors than imperfect hydrologic forecasts. This suggests that knowledge of how water is managed by dam operators within the week is more important than weekly inflow forecast errors when predicting forward electricity prices. Our findings have implications for optimal hydropower scheduling by region. Specifically, accounting for price effects is critical in markets dominated by hydropower capacity.

Electricity markets↗

Giant optical nonlinearity of Fermi polarons in atomically thin semiconductors

In this study, realizing strong nonlinear optical responses is a long-standing goal of both fundamental and technological importance. Recently, substantial efforts have been focused on exploring excitons in solids to achieve nonlinearities even down to few-photon levels. However, a crucial tradeoff arises as strong light–matter interactions require large oscillator strength and short radiative lifetime of excitons, which limits their nonlinearity. Here we experimentally demonstrate strong nonlinear optical responses with large oscillator strength by exploiting the coupling between excitons and carriers in an atomically thin semiconductor. By controlling the electric field and electrostatic doping of trilayer WSe 2 , we observe the hybridization between intralayer and interlayer excitons and the formation of Fermi polarons. Substantial optical nonlinearity is observed under continuous-wave and pulsed laser excitation, where the Fermi polaron resonance blueshifts by as much as ~10 meV. Intriguingly, we observe a remarkable asymmetry in the optical nonlinearity between electron and hole doping, which is tunable by the applied electric field. We attribute these features to the optically induced valley polarization due to the interactions between excitons and free charges. Our results establish atomically thin heterostructures as a highly versatile platform for engineering nonlinear optical response with applications to classical and quantum optoelectronics.

2d materials↗

Field Demonstration of Residential DER Service-Oriented Load Participation

Amidst a concerning surge in power consumption during peak hours, coupled with heightened power grid instability, and driven by a growing demand for electricity, aggregations of Distributed Energy Resource are becoming a viable means for providing essential reliability services.Electric utility companies have proactively implemented Demand Response programs for decades. These programs employ Direct Load Control methods to enhance power grid stability, achieved by controlling customers’ Distributed Energy Resource during peak hours to reduce power consumption. However, a notable drawback of Direct Load Control has been high unenrollment rates of DR program participants due to customer discomfort.Therefore, the underlying issue of over-consumption persists. To address these concerns, this paper introduces a Service-Oriented Load Participation approach to providing grid services such as Demand Response. Leveraging a Service-Oriented Architecture, this method offers the advantage of efficient service management and provisioning within the system. The SOLP approach not only aims to reduce power consumption but also to maintain customer satisfaction by ensuring a comfortable grid service experience.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Applications of quantum materials in nuclear physics experiments (Final Report)

The goals of this project are to search for hypothesized spin-hall effects of neutrons and variants of neutron-electron hybrid spin hall effects in quantum materials with strong spin-orbit-coupling (SOC) – such as: • Deflection of neutrons dependent on spin (polarization) states (a); • Electrical current induced electron spin polarization or (dynamically polarized) nuclear spin polarization (as suggested in PI’s prior work) may affect polarization states of transmitted or reflected neutron beam • Spin polarized neutrons transfer some spin angular momenta to electrons, which get converted to electronic charge voltage via electronic inverse spin Hall effect (b), which if realized, offers an electrical method to detect neutron spins.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Quantum Computing for AI-based Design and Optimization of Electric Motors

Knowledge-based artificial intelligence and hierarchical fuzzy logic offer an interpretable framework for electricvehicle motor preliminary design, but their computational burden grows with linguistic granularity and coupled design-space size. This paper presents a reduced quantum reformulation of the hierarchical fuzzy inference of air-gap flux density, a representative level-one motor-design parameter. Starting from the published electric-vehicle motor-design framework, a three-term fuzzy prototype is constructed from the original inference structure. The reduced model is then reformulated as a modular quantum register-oracle system, in which each hierarchical subrelation is encoded as a block oracle and evaluated through superpositionbased candidate-label testing. The proposed modular quantum formulation reproduces the reduced classical prototype after block fusion. A resource analysis shows that the reduced modular system requires seven qubits per block and twenty-two qubits in a straightforward four-block implementation. Finally, a crossovercomplexity model is derived to identify the regime in which quantum candidate search may become favorable relative to hierarchical fuzzy inference. The results show that no quantum advantage should be claimed for the present one-output reduced benchmark, but that a plausible crossover emerges for larger joint candidate spaces and higher linguistic granularity. The work therefore establishes a technically consistent starting point for future quantum-assisted electric-vehicle motor-design optimization.

Kumar, Praveen [ORNL] (ORCID:0000000291877857)↗

High fidelity multiphysics tightly coupled model for a lead cooled fast reactor concept and application to statistical calculation of hot channel factors

A tightly coupled multiphysics code system is established using the MOOSE framework for hot channel factor (HCF) evaluation on a Lead Fast Reactor (LFR) concept. The coupled system is driven by the Griffin multiphysics coupling capability under which the MOOSE Heat Transfer module and NekRS computational fluid dynamics solver are coupled for conjugate heat transfer using the Cardinal application. The coupled capability is demonstrated on an LFR assembly model based on materials and geometry of a prototypical lead-cooled fast reactor design by Westinghouse Electric Company, LLC. Moreover, the work integrates the Multiphysics Object Oriented Simulation Environment (MOOSE) Stochastic Tools Module (STM) to perform calculations for statistical analysis of HCF. Furthermore, the coupling strategy and workflow demonstrated in this paper is not only useful for predicting accurate hot channel factors for different kinds of advanced reactors but also for other engineering applications such as control rod worth assessment, generation of high-fidelity database for Artificial intelligence (AI)/machine learning (ML) training, design optimization and multi-resolution modeling.

Cardinal↗

Terahertz-field activation of polar skyrons

Unraveling collective modes arising from coupled degrees of freedom is crucial for understanding complex interactions in solids and developing new functionalities. Unique collective behaviors emerge when two degrees of freedom, ordered on distinct length scales, interact. Polar skyrmions, three-dimensional electric polarization textures in ferroelectric superlattices, disrupt the lattice continuity at the nanometer scale with nontrivial topology, leading to previously unexplored collective modes. Here, using terahertz-field excitation and femtosecond x-ray diffraction, we discover subterahertz collective modes, dubbed “skyrons”, which appear as swirling patterns of atomic displacements functioning as atomic-scale gearsets. The key to activating skyrons is the use of the THz field that couples primarily to skyrmion domain walls. Momentum-resolved time-domain measurements of diffuse scattering reveal an avoided crossing in the dispersion relation of skyrons. Atomistic simulations and dynamical phase-field modeling provide microscopic insights into the three-dimensional crystallographic and polarization dynamics. The amplitude and dispersion of skyrons are demonstrated to be controlled by sample temperature and electric-field bias. The discovery of skyrons and their coupling with terahertz fields opens avenues for ultrafast control of topological polar structures.

ferroelectrics↗

Mechanically and electrically tunable Rashba-Edelstein effect in ferroelectric semiconductors, CsGe⁢𝑋 3 (𝑋 = I, Br, Cl)

The ability of materials to convert charge current into spin current is fundamental to many spintronics applications. One means of realizing this conversion is via Rashba-Edelstein effect (REE). Using density functional theory simulations, we predict that REE can be induced in the recently discovered family of semiconducting ferroelectrics, CsGe⁢𝑋 3 (𝑋 = I, Br, Cl). The effect is quantified through Rashba-Edelstein coefficients, 𝜒 𝑥⁢𝑦 =−𝜒 𝑦⁢𝑥 , which are nonzero in valence and conduction bands. The largest values, obtained for CsGeI 3 , are 3.45 × 10 10 $\frac{ℏ}{Λ cm}$ and 0.97 × 10 10 $\frac{ℏ}{Λ cm}$ in the conduction and valence bands, respectively. The values are comparable to, and sometimes exceed, those of other inorganic materials, although the maximal values occur away from the band edges. The coefficients' sign couples to the direction of spontaneous polarization, offering opportunities for nonvolatile spin current manipulation via external electric field. Furthermore, these coefficients are highly tunable through strain engineering owing to strain-induced variations in spin textures and energy isosurfaces. Specifically, 𝜒 in the valence band of CsGeI 3 is enhanced to 3.61 × 10 10 $\frac{ℏ}{Λ cm}$ under 5% biaxial strain. Given this potential, we synthesized CsGeI 3 to validate our simulation structure and found excellent agreement between experiment and simulation, thereby allowing extrapolation of our findings to practically significant temperatures. Furthermore, our study identifies promising materials for nonvolatile, multifunctional spintronic applications.

Electronic structure↗

Screening of Polar Electron-Phonon Interactions near the Surface of the Rashba Semiconductor BiTeCl

Understanding electron-phonon coupling in noncentrosymmetric materials is critical for controlling the internal fields which give rise to Rashba interactions. We apply time- and angle-resolved photoemission spectroscopy (trARPES) to study coherent phonons in the surface and bulk regions of the polar semiconductor BiTeCl. Aided by \textit{ab initio} calculations, our measurements reveal the coupling of out-of-plane $A_1$ modes and an in-plane $E_2$ mode. By considering how these modes modulate the electric dipole moment in each unit cell, we show that the polar $A_1$ modes are more effectively screened in the metallic surface region, while the non-polar $E_2$ mode couples in both regions. Finally, in addition to informing strategies to optically manipulate Rashba interactions, this work has broader implications for the behavior of electron-phonon coupling in systems characterized by inhomogeneous dielectric environments.

36 MATERIALS SCIENCE↗

Demonstration of a multi-channel fluidized bed particle–supercritical carbon dioxide heat exchanger for concentrating solar applications

High-temperature thermal energy storage in oxide particles at temperatures above 600°C can couple concentrated solar energy with high-efficiency thermal power cycles to provide dispatchable solar-driven electricity. Challenges remain in developing cost-effective primary heat exchangers, which require expensive alloys, to extract the high-temperature thermal energy from the particles to power cycle fluids, such as supercritical CO 2 (sCO 2 ) in recuperated Brayton cycles. To explore one pathway for cost-effective, high-temperature particle heat exchangers, the current study demonstrates a shell-and-plate, particle–sCO 2 heat exchanger with narrow- channel fluidized beds coupled with micro-channel sCO 2 flows in the heat exchanger walls. This study evaluates the feasibility of multiple parallel, narrow-channel fluidized beds in shell-and-plate particle–sCO 2 HXs, to achieve high bed-wall heat fluxes at elevated temperatures. A reduced-order model simulates the narrow- channel, fluidized-bed particle–sCO 2 heat exchanger to design the fluidized bed geometry, in terms of depth, height, and number of channels,for a nominal 40-kWth heat exchanger at particle and sCO 2 inlet temperatures up to 600 °C and 400 °C respectively. The resulting shell-and-plate heat exchanger design operates with bubbling fluidization of the downward-flowing oxide particles to enhance bed-wall heat transfer. The heat exchanger core is fabricated with etched sCO 2 micro-channels in thin wall plates that are diffusion bonded to spacer frames to form the shell-and-plate structure with 12 parallel, fluidized bed channels, 10.4 mm deep. The heat exchanger is tested at the National Solar Thermal Test Facility at Sandia National Laboratories with CARBOBEAD HSP particles at design particle flow rates of 0.20 kg s –1 and inlet temperatures up to 525 °C. Results show that fluidization across multiple parallel channel beds can maintain uniform particle inventory with a common freeboard zone above the heat exchanger core. Bubbling fluidization improves particle–wall heat transfer coefficients but also increases axial dispersion of particle thermal energy, which lowers the log- mean temperature difference such that total heat transfer remains relatively constant to within ±10% over a broad range of fluidization gas velocities. The axial dispersion required particle and sCO 2 flow rates to be increased by 25% over model-designed conditions to achieve the targeted 40 kWth, which indicates the importance of incorporating axial dispersion into heat exchanger design models and of deploying bed structures to suppress it. Furthermore, this study demonstrates the feasibility and preferred fluidizing gas conditions for particle heat exchangers for releasing high-temperature thermal energy storage systems.

14 SOLAR ENERGY↗

Regional inertia dynamics of U.S. interconnections: An event-based measurement approach

Power grid inertia plays a vital role in frequency stability following large disturbances, yet its distribution across the U.S. grid is highly uneven. While interconnection-wide inertia benchmarks are useful, they can mask regional variability driven by resource mix, network coupling, and geographic separation. This paper extends event-driven inertia estimation to the regional scale using field measurements from the Frequency Monitoring Network (FNET/GridEye). Starting from balancing authority and independent system operator footprints, candidate regions are refined using a composite coherency score that combines frequency-trajectory shape similarity, timing spread, and lead/lag behavior to ensure dynamic consistency. A filtered sliding difference method (FSDM) is then used to construct regional frequency trajectories, detect disturbance onset, and compute robust regional rate-of-change of frequency (RoCoF). Regional, local, and interconnection inertia are estimated by combining RoCoF with event power imbalance, and additional indicators (regional-to-system inertia ratio and inertial-support arrival time) quantify regional-to-interconnection coupling and relative regional contributions. The method is demonstrated on eleven regions across the Eastern Interconnection (EI) and the Western Electricity Coordinating Council (WECC), with the Electric Reliability Council of Texas (ERCOT) used for validation. In ERCOT, estimates compared against energy management system (EMS) values achieve a mean absolute percentage error of 17.94%. WECC exhibits consistently shorter inertial-support arrival times (0.15–0.3 s) than EI (0.7–1.1 s), highlighting contrasting coupling and disturbance-propagation behavior. Overall, the results reveal pronounced spatial heterogeneity in inertia and coupling, underscoring the value of regional monitoring for both operational decision-making and long-term system planning.

Disturbance events↗

Unveiling Spatial and Temporal Dynamics of Plasmon-Enhanced Localized Fields in Metallic Nanoframes through Ultrafast Electron Microscopy

Plasmonic nanomaterials, particularly noble metal nanoframes (NFs), are important for applications such as catalysis, biosensing, and energy harvesting due to their ability to enhance localized electric fields and atomic efficiency via localized surface plasmon resonance (LSPR). Yet the fundamental structure-function relationships and plasmonic dynamics of the NFS are difficult to study experimentally and thus far rely predominately on computational methodologies, limiting their utilization. This study leverages the capabilities of ultrafast electron microscopy (UEM), specifically photon-induced near-field electron microscopy (PINEM), to probe the light-matter interactions within plasmonic NF structures. Here, the effects of shape, size, and plasmonic coupling of Pt@Au core-shell NFs on spatial and temporal characteristics of plasmon-enhanced localized electric fields are explored. Importantly, time-resolved PINEM analysis reveals that the plasmonic fields around hexagonal NF prisms exhibit a spatially dependent excitation and decay rate, indicating a nuanced interplay between the spatial geometry of the NF and the temporal evolution of the localized electric field. These results and observations uncover nanophotonic energy transfer dynamics in NFs and highlight their potential for applications in biosensing and photocatalysis.

Plasmonics↗

Designed Spin‐Texture‐Lattice to Control Anisotropic Magnon Transport in Antiferromagnets

Abstract Spin waves in magnetic materials are promising information carriers for future computing technologies due to their ultra‐low energy dissipation and long coherence length. Antiferromagnets are strong candidate materials due, in part, to their stability to external fields and larger group velocities. Multiferroic antiferromagnets, such as BiFeO 3 (BFO), have an additional degree of freedom stemming from magnetoelectric coupling, allowing for control of the magnetic structure, and thus spin waves, with the electric field. Unfortunately, spin‐wave propagation in BFO is not well understood due to the complexity of the magnetic structure. In this work, long‐range spin transport is explored within an epitaxially engineered, electrically tunable, 1D magnonic crystal. A striking anisotropy is discovered in the spin transport parallel and perpendicular to the 1D crystal axis. Multiscale theory and simulation suggest that this preferential magnon conduction emerges from a combination of a population imbalance in its dispersion, as well as anisotropic structural scattering. This work provides a pathway to electrically reconfigurable magnonic crystals in antiferromagnets.

36 MATERIALS SCIENCE↗

Nonmagnetic fractional conductance in high mobility InAs quantum point contacts

In this paper, we report the magnetoelectronic properties of high mobility InAs quantum point contacts grown on InP substrates. The InAs quantum well is embedded between In 0.72 ⁢Ga 0.28 ⁢As cladding layers and In 0.81 ⁢Al 0.19 ⁢As barrier layers, and is populated via self-accumulation. The one-dimensional (1D) conductance reaches a maximum value of 17 plateaus, quantized in units of 2⁢𝑒 2 /ℎ, where 𝑒 is the fundamental unit of charge and ℎ is Planck's constant. The in-plane effective 𝑔 factor was estimated to be −10.9 ± 1.5 for subband 𝑁 = 1 and −10.8 ± 1.6 for subband 𝑁 = 2. Furthermore, a study of the nonmagnetic fractional conductance states at 0.2 (𝑒 2 /ℎ) and 0.1 (𝑒 2 /ℎ) is provided. While their origin remains under discussion, evidence suggests that they arise from strong electron-electron interactions and momentum-conserving backscattering between electrons in two distinct channels within the 1D region. This phenomenon may also be interpreted as an entanglement between the two channel directions facilitated by momentum-conserving backscattering.

Ballistic transport↗

Cavity-modified molecular dipole switching dynamics

Polaritonic states, which are formed by resonances between a molecular excitation and the photonic mode of a cavity, have a number of useful properties that offer new routes to control molecular photochemistry using electric fields. To provide a theoretical description of how polaritonic states affect the real-time electron dynamics in molecules, a new method is described where the effects of strong light–molecule coupling are implemented using real-time electronic structure theory. The coupling between the molecular electronic states and the cavity is described by the Pauli–Fierz Hamiltonian, and transitions between polaritonic states are induced via an external time-dependent electric field using time-dependent configuration interaction (TDCI) theory, producing quantum electrodynamics TDCI (QED-TDCI). This method is used to study laser-induced ultrafast charge transfer and dipole-switching dynamics of the LiCN molecule inside a cavity. The increase in cavity coupling strength is found to have a significant impact on the energies and transition dipole moments of the molecule–cavity system. The convergence of the polaritonic state energies as a function of the number of included electronic and photonic basis states is discussed.

Chemistry↗