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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 145 records · Page 8

Application of Convolutional and Feedforward Neural Networks for Fault Detection in Particle Accelerator Power Systems

High voltage converter modulators (HVCM) provide power to the accelerating cavities of the spallation neutron source (SNS) facility. HVCM experience catastrophic failures, which increase the downtime of the SNS and reduce beam time. The faults may occur due to different reasons including failures of the resonant capacitor, core saturation due to the magnetic flux, insulated-gate bipolar transistor (IGBT) failures, and others. We recently have setup a HVCM test stand to develop and test machine learning models for anomaly detection and fault prognostics. In this work, we propose binary classifiers and autoencoder architectures based on convolutional (CNN) and feedforward neural networks (FNN) to facilitate distinguishing normal from faulty waveforms coming from the HVCM during operation. The results indicate that the CNN binary classifier is the best model among the four showing very stable performance in the training and testing sets with impressive metrics of precision and recall reaching up to 99\% with a very small uncertainty. The FNN classifier shows the least performance with a large uncertainty in its metrics. The performances of the two autoencoders based on CNN and FNN were in between, showing very good performance nonetheless.

Radaideh, Majdi↗

Hemicellulose Modulates Nanoscale Lignin Architecture in Synthetic Plant Cell Walls

Cellulose, hemicellulose, and lignin─the most abundant biopolymers on Earth─compose the structural matrix of plant biomass, providing renewable resources critical to bioenergy and sustainable materials. Despite their importance, the nanoscale mechanochemical processes underlying lignocellulose assembly during plant secondary cell wall formation remain poorly understood, hindering advancements in biomass conversion technologies. Here, in this study, we synthesize a biomimetic model system comprising cellulose–hemicellulose nanofibrils (CHN) to examine guaiacyl lignin polymerization in a physiologically relevant context. Using advanced nanocharacterization─scattering-type scanning near-field optical microscopy (s-SNOM) with infrared nanospectroscopy coupled to solid-state nuclear magnetic resonance (NMR)─we reveal that hemicellulose presence considerably modulates lignin deposition and alters its interunit bond distribution. Specifically, hemicellulose-rich environments dramatically reduce lignin deposition by approximately 50% and yield highly condensed lignin structures characterized by severely reduced β–O–4′ linkages (<2%) and suppressed β–β′ linkages. Conversely, cellulose-alone scaffolds support notably higher β–O–4′ content (∼10%), resulting in a more uniform nanoscale lignin coating. Our work helps explain how accessible hemicellulose sites, both sterically and chemically, direct radical coupling during lignification, fundamentally reshaping lignin’s nanoscale architecture. These findings deepen our mechanistic understanding of plant cell wall biosynthesis and inform strategies aimed at enhancing biomass deconstruction efficiency for sustainable bioenergy applications.

NMR↗

The Readout Electronics of the Mu2e Electromagnetic Calorimeter

The Mu2e electromagnetic calorimeter has been designed to measure ~100 MeV electrons with energy resolution σE/E <10%, time resolution σt < 500ps and position resolution σx < 1cm. The detector is composed of 1348 un-doped CsI crystals coupled to two large area Silicon Photomultipliers (SiPMs). Each SiPM is connected to a Front End Electronics (FEE) chip which hosts the shaping amplifier and the high voltage linear regulator. A group of 20 FEE is controlled by one Mezzanine Board (MB) which transmits the amplified signals to one Digitizer ReAdout Controller board (DiRAC). The DiRAC samples the waveforms at 200 MHz with 12-bit ADCs, packs the data according to the Mu2e custom format and transmits them to the event builder through an optical transceiver. To limit the number of pass-through connectors and the length of the cables, the readout and digitization electronics is located inside the detector cryostat and close to the interaction target. The boards will have to sustain a neutron fluence of about 5x10 10 n/cm 2 @ 1 MeVeq (Si)/y and a Total Ionizing Dose of about 12 krad, while working into a 1T magnetic field and a vacuum of 10 (-4) Torr. This harsh operational environment has made the electronics design challenging and required an extended campaign of tests to select and qualify the employed electronic components. In this paper we report on the board architecture and design, on the qualification of the prototypes, as well as on the results of the first vertical slice test of the Mu2e calorimeter.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems *

Abstract We introduce a multi-tasking graph convolutional neural network, HydraGNN, to simultaneously predict both global and atomic physical properties and demonstrate with ferromagnetic materials. We train HydraGNN on an open-source ab initio density functional theory (DFT) dataset for iron-platinum with a fixed body centered tetragonal lattice structure and fixed volume to simultaneously predict the mixing enthalpy (a global feature of the system), the atomic charge transfer, and the atomic magnetic moment across configurations that span the entire compositional range. By taking advantage of underlying physical correlations between material properties, multi-task learning (MTL) with HydraGNN provides effective training even with modest amounts of data. Moreover, this is achieved with just one architecture instead of three, as required by single-task learning (STL). The first convolutional layers of the HydraGNN architecture are shared by all learning tasks and extract features common to all material properties. The following layers discriminate the features of the different properties, the results of which are fed to the separate heads of the final layer to produce predictions. Numerical results show that HydraGNN effectively captures the relation between the configurational entropy and the material properties over the entire compositional range. Overall, the accuracy of simultaneous MTL predictions is comparable to the accuracy of the STL predictions. In addition, the computational cost of training HydraGNN for MTL is much lower than the original DFT calculations and also lower than training separate STL models for each property.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Applications of Solid-State Transformers for Electric Power Grid HEMP/GMD Resilience

A high-altitude electromagnetic pulse (HEMP) or geomagnetic disturbance (GMD) can disrupt power grids by inducing low-frequency common-mode (CM) currents. When these currents flow through grounded transformers, they can bias the magnetic core, driving it into saturation and reducing performance or damaging equipment. This work presents a solid-state transformer (SST) to replace vulnerable assets and improve grid resilience. The paper reviews half-cycle saturation in conventional transformers, then describes an SST architecture that neutralizes and redirects CM currents during HEMP/GMD events. A prototype SST is built and validated, demonstrating stable CM-disturbance operation and protection of nearby transformers. Finally, large-scale simulations show how coordinated SST deployment mitigates CM disturbances and strengthens overall grid resilience.

four-leg inverter↗

Dynamic load balancing with enhanced shared-memory parallelism for particle-in-cell codes

Furthering our understanding of many of today’s interesting problems in plasma physics – including plasma based acceleration and magnetic reconnection with pair production due to quantum electrodynamic effects – requires large-scale kinetic simulations using particle-in-cell (PIC) codes. However, these simulations are extremely demanding, requiring that contemporary PIC codes be designed to efficiently use a new fleet of exascale computing architectures. To this end, the key issue of parallel load balance across computational nodes must be addressed. We discuss the implementation of dynamic load balancing by dividing the simulation space into many small, self-contained regions or ‘‘tiles,’’ along with shared-memory (e.g., OpenMP) parallelism both over many tiles and within single tiles. The load balancing algorithm can be used with three different topologies, including two space-filling curves. Here, we tested this implementation in the code Osiris and show low overhead and improved scalability with OpenMP thread number on simulations with both uniform load and severe load imbalance. Compared to other load-balancing techniques, our algorithm gives order-of-magnitude improvement in parallel scalability for simulations with severe load imbalance issues.

97 MATHEMATICS AND COMPUTING↗

Microwave-photonic control of optically accessible spin defects in diamond

A growing variety of optically accessible spin qubits have emerged in recent years as key components for quantum sensors, computers, and memories. However, the scalability of conventional spin-based quantum architectures remains limited by direct microwave delivery, which introduces thermal noise, electromagnetic crosstalk, and design constraints for cryogenic, high-field, and distributed systems. In this work, we present a unified framework for RF-over-fiber (RFoF) control of spins accessible through optically detected magnetic resonance (ODMR) spectroscopy of nitrogen-vacancy (NV) centers in diamond. The RFoF platform relies on an intensity-modulated 1310 nm laser carrying microwave signals over fiber and a high-speed photodiode for optical-to-electrical conversion to drive NV spin transitions. We report an RFoF power-conversion efficiency of 3.42% for an RF output PRF,out=-5.5 dBm at 2.87 GHz, enabling clear resolution of Zeeman splitting in

Rahman, M Reefaz [ORNL] (ORCID:0000000323541611)↗

Tunable magneto-optical properties in MoS 2 via defect-induced exciton transitions

The presence of chalcogen vacancies in monolayer transition metal dichalcogenides (TMDs) leads to excitons with mixed localized-delocalized character and to reduced valley selectivity. Recent experimental advances in defect design in TMDs allow for a close examination of such mixed exciton states as a function of their degree of circular polarization under external magnetic fields, revealing strongly varying defect-induced magnetic properties. A theoretical understanding of these observations and their physical origins demands a predictive, structure-sensitive theory. In this work, we study the effect of chalcogen vacancies on the exciton magnetic properties in monolayer MoS 2 . Using many-body perturbation theory, we show how the complex excitonic picture associated with the presence of defects—with reduced valley and spin selectivity due to hybridized electron-hole transitions—leads to a structurally controllable exciton magnetic response. We find a variety of $\textit{g}$-factors with changing magnitudes and sign depending on the exciton energy and character. Further, our findings suggest a pathway to tune the nature of the excitons—and by that their magneto-optical properties—through defect architecture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Targeted Writing and Deleting of Magnetic Skyrmions in Two-Terminal Nanowire Devices

Controllable writing and deleting of nanoscale magnetic skyrmions are key requirements for their use as information carriers for next-generation memory and computing technologies. While several schemes have been proposed, they require complex fabrication techniques or precisely tailored electrical inputs, which limits their long-term scalability. In this work, we demonstrate an alternative approach for writing and deleting skyrmions using conventional electrical pulses within a simple, two-terminal wire geometry. X-ray microscopy experiments and micromagnetic simulations establish the observed skyrmion creation and annihilation as arising from Joule heating and Oersted field effects of the current pulses, respectively. The unique characteristics of these writing and deleting schemes, such as spatial and temporal selectivity, together with the simplicity of the two-terminal device architecture, provide a flexible and scalable route to the viable applications of skyrmions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

A Unified Off-Board Charging System for Integrated Wired and Wireless EV Charging

This work explores a unified off-board charger approach that enables both wired and wireless charging within a single system architecture. Instead of deploying two independent converters, the proposed configuration switches between an LLC-based operation for wired charging and an LCC-S–type operation for wireless charging by rearranging the excitation of commonly used components. With this reconfiguration, the same switch bridge, resonant elements, and magnetic coupling coils can be utilized in both modes without relying on relays or additional hardware paths. To assess the basic operation of the proposed system, PLECS circuit simulations were performed for both wired and wireless charging modes. A 3.3-kW prototype was also built, and representative experimental results for each mode confirm that the unified converter can operate properly while reducing hardware duplication.

Jo, Cheolhui [ORNL] (ORCID:0000000322692434)↗

Geometrical Frustration and Planar Triangular Antiferromagnetism in Quasi-Three-Dimensional Artificial Spin Architecture

We present a realization of highly frustrated planar triangular antiferromagnetism achieved in a quasi-three-dimensional artificial spin system consisting of monodomain Ising-type nanomagnets lithographically arranged onto a deep-etched silicon substrate. We demonstrate how the three-dimensional spin architecture results in the first direct observation of long-range ordered planar triangular antiferromagnetism, in addition to a highly disordered phase with short-range correlations, once competing interactions are perfectly tuned. Finally, our work demonstrates how escaping two-dimensional restrictions can lead to new types of magnetically frustrated metamaterials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Optics and Systems Design of the Ring-to-Second Target Transport Beam-Line for the SNS Second Target Station

The Second Target Station (STS) project at the Spallation Neutron Source (SNS) is being developed to provide world-leading cold neutron brightness for next-generation neutron scattering experiments. The STS Accelerator Systems (AS) scope includes the design and implementation of the Ring-to-Second Target (RTST) proton beam transport line, which extracts 1.3 GeV proton beam pulses from the existing Ring-to-Beam Transport (RTBT) system and delivers them to the STS target. The RTST design emphasizes operational reliability [high reliability], low activation [minimum activation of components and the tunnel], maintainability, and compatibility with existing SNS infrastructure through extensive reuse of proven RTBT systems and components. The beamline includes a new extraction region, a transport lattice consisting of dipole, quadrupole, and corrector magnets, beam instrumentation systems, vacuum systems, personnel protection systems, and radiation shielding systems. Beam optics and particle tracking studies were performed using PyORBIT to validate extraction trajectories, beam transport, and target beam spot requirements [60–90 cm² beam spot area]. This paper presents the optics design philosophy, extraction system architecture, transport lattice design, instrumentation strategy, vacuum system approach, and radiation protection integration for the RTST beamline. Particle tracking simulations indicate successful beam transport without beam loss under nominal operating conditions. The RTST is designed to transport 1.3 GeV proton beam pulses at repetition rates up to 15 Hz, delivering nominal beam power of 700 kW to the Second Target Station.

Baron, Alex [ORNL]↗

Thermodynamic and Kinetic Transitions of Liquids in Nanoconfinement

Core principles of chemistry are ubiquitously invoked to shed light on the nature of molecular level interactions in nanoconfined fluids, which play a pivotal role in a wide range of processes in geochemistry, biology, and engineering. A detailed understanding of the physicochemical processes involved in the flow, structural transitions, and freezing or melting behavior of fluids confined within nanometer-sized pores of solid materials is thus of enormous importance for both basic research and technological applications. This Account provides a perspective on new insights into the thermodynamic and kinetic transitions of nanoconfined fluids in their stable and metastable forms. After briefly introducing the unique properties of mesoporous silicas from the SBA, MCM, and FDU families that serve as the confinement matrices, combining highly ordered single and bimodal mesopore architectures with tunable pore sizes in the ~2-15 nm range and narrow size distributions, recent studies on melting/freezing behavior of water confined in these host matrices are reviewed. While differential scanning calorimetry (DSC) reveals a linear relationship between melting point depression and pore size (independent of the pore shape), as predicted by the Gibbs-Thomson relation, variable temperature 2 H wide-line nuclear magnetic resonance (NMR) spectroscopy studies confirm the core-shell model of water and give evidence for a layer-by-layer freezing mechanism, which gives rise to an apparent fragile-to-strong transition in the solidification dynamics. In contrast to the freezing/melting behavior of water, the effect of nanoconfinement on the glass transition of supercooled liquids is nonuniversal and the glass transition temperature T g can either increase or decrease with the dimensionality and extent of confinement. This nonuniversal behavior is exemplified by the two glass-forming molecular liquids, glycerol and ortho-terphenyl (OTP). While glycerol shows an increase in T g and a pronounced slowdown of the rotational dynamics of the constituent molecules due to a change in the molecular packing between the bulk and the confined liquid, OTP displays a linear and confining-media-dependent depression of T g with increased confinement that is strongly influenced by the pore-liquid interface characteristics. This Account concludes with a focus on recent experimental evidence of extreme spatial and dynamical heterogeneity in both freezing and glass transition processes. This discovery was enabled by the unique mesoporous structures of SBA-16 and FDU-5, possessing bimodal architectures with two interconnected pore types of different size and shape (spherical and cylindrical). For the very first time, two melting points for water and two glass transitions for supercooled OTP, corresponding to a specific pore type, were observed. Collectively, these observations strongly suggest a close mechanistic connection between the local fluctuations in the structure and dynamics of nanoconfined liquids. Finally, while the findings reviewed in this Account provide new insights into thermodynamic and kinetic transitions of fluids, there remain many unanswered questions regarding the effects of nanoconfinement on the fundamental properties of fluids, which offer exciting future opportunities in chemical research.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum utility in simulating the real-time dynamics of the Fermi–Hubbard model using superconducting quantum computers

The Fermi–Hubbard model is a fundamental model in condensed matter physics that describes strongly correlated electrons. On the other hand, quantum computers are emerging as powerful tools for exploring the complex dynamics of these quantum many-body systems. In this work, we demonstrate the quantum simulation of the one-dimensional Fermi–Hubbard model using IBM's superconducting quantum computers, employing over 100 qubits. We introduce a first-order Trotterization scheme and extend it to an optimized second-order Trotterization for the time evolution in the Fermi–Hubbard model, specifically tailored for the limited qubit connectivity of quantum architectures, such as IBM's platforms. Notably, both Trotterization approaches are scalable and maintain a constant circuit depth at each Trotter step, regardless of the qubit count, enabling us to precisely investigate the relaxation dynamics in the Fermi–Hubbard model by measuring the expectation value of the Néel observable (staggered magnetization) for time-evolved quantum states. Lastly, our successful measurement of expectation values in such large-scale quantum many-body systems, especially at longer time scales with larger entanglement, highlights the quantum utility of superconducting quantum platforms over conventional classical approximation methods.

97 MATHEMATICS AND COMPUTING↗

Tunable Stochasticity in an Artificial Spin Network

Metamaterials present the possibility of artificially generating advanced functionalities through engineering of their internal structure. Artificial spin networks, in which a large number of nanoscale magnetic elements are coupled together, are promising metamaterial candidates that enable the control of collective magnetic behavior through tuning of the local interaction between elements. In this work, the motion of magnetic domain-walls in an artificial spin network leads to a tunable stochastic response of the metamaterial, which can be tailored through an external magnetic field and local lattice modifications. This type of tunable stochastic network produces a controllable random response exploiting intrinsic stochasticity within magnetic domain-wall motion at the nanoscale. An iconic demonstration used to illustrate the control of randomness is the Galton board. In this system, multiple balls fall into an array of pegs to generate a bell-shaped curve that can be modified via the array spacing or the tilt of the board. A nanoscale recreation of this experiment using an artificial spin network is employed to demonstrate tunable stochasticity. Furthermore, this type of tunable stochastic network opens new paths toward post-Von Neumann computing architectures such as Bayesian sensing or random neural networks, in which stochasticity is harnessed to efficiently perform complex computational tasks.

Artificial spin network↗

Entity—Hardware-agnostic Particle-in-cell Code for Plasma Astrophysics. II. General Relativistic Module

Black hole (BH) environments often host plasmas that are fully collisionless or contain intrinsically collisionless regions, including relativistic jets and coronae, where particle energization is ubiquitous. Capturing the physics of these systems requires numerical methods capable of modeling relativistic, magnetized, collisionless plasmas in strong gravitational fields. In this work, we introduce the general relativistic module for Entity—the first open-source, coordinate-agnostic, performance-portable, particle-in-cell code. The code enables fast axisymmetric simulations of collisionless plasmas around BHs on any modern high-performance computing architecture (both GPUs and CPUs).

Galishnikova, Alisa [Flatiron Institute, New York,↗

Celeritas R&D Report: Accelerating Geant4

Celeritas is a new Monte Carlo (MC) detector simulation code designed for computationally intensive applications on high-performance heterogeneous architectures. In the past two years Celeritas has advanced from prototyping a Graphics Processing Unit (GPU)-based single physics model in infinite medium to implementing a full set of electromagnetic (EM) physics processes in complex geometries. The current release of Celeritas, version 0.4, has incorporated full device-based navigation, an event loop in the presence of magnetic fields, and detector hit scoring. New functionality incorporates a scheduler to offload electromagnetic physics to the GPU within a Geant4-driven simulation, enabling straightforward integration of Celeritas into the high energy physics (HEP) experimental frameworks CMSSW and ATLAS FullSimLight. On the Perlmutter supercomputer, Celeritas performs EM physics between 3× and 18× faster using the machine’s Nvidia GPUs compared to using only CPUs, corresponding to an electrical power efficiency up to a factor of 5. When running a multithreaded Geant4 ATLAS test beam application with full hadronic physics, using Celeritas to accelerate the EM physics results in an overall simulation speedup of 1.7–2.2× on GPU and 1.2× on CPU. In a CMS test application using tt¯ events and the prototype Run 4 configuration, compared to Geant4 CPU, Celeritas with a Nvidia A100 improves overall throughput up to a factor of 2.7× but cannot be efficiently shared with more than 8 cores.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Investigating the architecture and internal structure of the TOI-561 system planets with CHEOPS, HARPS-N, and TESS

ABSTRACT We present a precise characterization of the TOI-561 planetary system obtained by combining previously published data with TESS and CHEOPS photometry, and a new set of 62 HARPS-N radial velocities (RVs). Our joint analysis confirms the presence of four transiting planets, namely TOI-561 b (P = 0.45 d, R = 1.42 R⊕, M = 2.0 M⊕), c (P = 10.78 d, R = 2.91 R⊕, M = 5.4 M⊕), d (P = 25.7 d, R = 2.82 R⊕, M = 13.2 M⊕), and e (P = 77 d, R = 2.55 R⊕, M = 12.6 R⊕). Moreover, we identify an additional, long-period signal (>450 d) in the RVs, which could be due to either an external planetary companion or to stellar magnetic activity. The precise masses and radii obtained for the four planets allowed us to conduct interior structure and atmospheric escape modelling. TOI-561 b is confirmed to be the lowest density (ρb = 3.8 ± 0.5 g cm−3) ultra-short period (USP) planet known to date, and the low metallicity of the host star makes it consistent with the general bulk density-stellar metallicity trend. According to our interior structure modelling, planet b has basically no gas envelope, and it could host a certain amount of water. In contrast, TOI-561 c, d, and e likely retained an H/He envelope, in addition to a possibly large water layer. The inferred planetary compositions suggest different atmospheric evolutionary paths, with planets b and c having experienced significant gas loss, and planets d and e showing an atmospheric content consistent with the original one. The uniqueness of the USP planet, the presence of the long-period planet TOI-561 e, and the complex architecture make this system an appealing target for follow-up studies.

Lacedelli, G. (ORCID:0000000241977374)↗