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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Magnon-spinon dichotomy in the Kitaev hyperhoneycomb β-Li 2 IrO 3

The family of edge-sharing tricoordinated iridates and ruthenates has emerged in recent years as a major platform for Kitaev spin-liquid physics, where spins fractionalize into emergent magnetic fluxes and Majorana fermions with Dirac-like dispersions. While such exotic states are usually preempted by long-range magnetic order at low temperatures, signatures of Majorana fermions with long coherent times have been predicted to manifest at intermediate and higher energy scales, similar to the observation of spinons in quasi-one-dimensional spin chains. Here in this paper we present a resonant inelastic x-ray scattering study of the magnetic excitations of the hyperhoneycomb iridate β-Li 2 IrO 3 under a magnetic field with a record-high-resolution spectrometer. At low temperatures, dispersing spin waves can be resolved around the predicted intertwined incommensurate spiral and field-induced zigzag orders, whose excitation energy reaches a maximum of 16 meV. A 2 T magnetic field softens the dispersion around Q = 0. The behavior of the spin waves under magnetic field is consistent with our semiclassical calculations for the ground state and the dynamical spin structure factor, which further predicts that the ensued intertwined uniform states remain robust up to very high fields (100 T). Most saliently, the low-energy magnonlike mode is superimposed by a broad continuum of excitations, centered around 35 meV and extending up to 100 meV. This high-energy continuum survives up to at least 300 K—well above the ordering temperature of 38 K—and gives evidence for pairs of long-lived Majorana fermions of the proximate Kitaev spin liquid.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

MICCO: An Enhanced Multi-GPU Scheduling Framework for Many-Body Correlation Functions

Calculation of many-body correlation functions is one of the critical kernels utilized in many scientific computing areas, especially in Lattice Quantum Chromodynamics (Lattice QCD). It is formalized as a sum of a large number of contraction terms each of which can be represented by a graph consisting of vertices describing quarks inside a hadron node and edges designating quark propagations at specific time intervals. Due to its computation- and memory-intensive nature, real-world physics systems (e.g., multi-meson or multi-baryon systems) explored by Lattice QCD prefer to leverage multi-GPUs. Different from general graph processing, many-body correlation function calculations show two specific features: a large number of computation-/data-intensive kernels and frequently repeated appearances of original and intermediate data. The former results in expensive memory operations such as tensor movements and evictions. The latter offers data reuse opportunities to mitigate the data-intensive nature of many-body correlation function calculations. However, existing graph-based multi-GPU schedulers cannot capture these data-centric features, thus resulting in a sub-optimal performance for many-body correlation function calculations. To address this issue, this paper presents a multi-GPU scheduling framework, MICCO, to accelerate contractions for correlation functions particularly by taking the data dimension (e.g., data reuse and data eviction) into account. This work first performs a comprehensive study on the interplay of data reuse and load balance, and designs two new concepts: local reuse pattern and reuse bound to study the opportunity of achieving the optimal trade-off between them. Based on this study, MICCO proposes a heuristic scheduling algorithm and a machine-learning-based regression model to generate the optimal setting of reuse bounds. Specifically, MICCO is integrated into a real-world Lattice QCD system, Redstar, for the first time running on multiple GPUs. The evaluation demonstrates MICCO outperforms other state-of-art works, achieving up to 2.25× speedup in synthesized datasets, and 1.49× speedup in real-world correlation functions.

Wang, Qihan↗
DOE OSTI2021

Tractable Learning in Underexcited Power Grids

Estimating the structure of physical flow networks, such as power grids, is critical to secure delivery of energy. This article discusses statistical structure estimation in power grids in the “underexcited” regime, where a subset of internal nodes has zero injection fluctuations. Prior estimation algorithms based on nodal voltages fail for such grids as the voltage covariance matrix is not invertible. Here, we propose a novel topology learning algorithm for learning underexcited general networks. Our algorithm uses physics-informed conservation laws to first identify the zero-injection buses and their neighbors, and then estimates the remaining edges in the grid. We prove the asymptotic correctness of our algorithm for grids with nonadjacent internal zero-injection nodes. More important, we theoretically analyze our algorithm’s efficacy under noisy measurements, and determine bounds on maximum noise under which asymptotically correct recovery is guaranteed. Our approach is validated through simulations with voltage samples generated on test distribution grids with real injection data and nonlinear power flow models.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

DER Cybersecurity Detection and Response Suite

SAND2024-08475O The Distributed Energy Resource (DER) Cybersecurity Detection and Response Suite is a solution for distributed energy resource (DER) systems. The DER Security Orchestration, Automation, and Response (SOAR) solution that uses alerts from signature- and behavior-based Intrusion Detection Systems are intended to be deployed as bump-in-the-wire (BITW) devices in front of DER equipment. The fielded application would use multiple intrusion detection systems that report data to SOAR to respond to cyberattacks. The suite consists of two software components: • The proactive intrusion detection and mitigation system (PIDMS) secures grid-edge photovoltaic smart inverters and other equipment in distributed energy resource systems. It is a distributed BITW solution; cyber and physical data are automatically processed using network inspection tools and custom machine learning algorithms to detect abnormal events and correlate cyber-physical events. • The Security Orchestration, Automation, and Response for Distributed Energy Resources (SOAR4DER) application ingests data from several intrusion detection systems to quickly block attacks and revert DER systems to good states. Using a collection of intrusion detection system technologies on a BITW device, it incorporates physical and cyber data to detect abnormal and potential malicious behaviors. Multiple SOAR playbooks then use the intrusion detection system data streams to automatically defend the system. SOAR4DER system testing showed detection and response times under 30 seconds for all adversary reconnaissance, denial-of-service attacks, malicious Modbus commands, brute-force logins, and machine-in-the-middle attacks. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Johnson, Jay↗
DOE OSTI2021

Quantum science and technology

Fermilab’s leading-edge quantum science program builds on the lab’s unique capabilities as both the U.S. center for high-energy physics and a leader in quantum physics research.

Source record↗
DOE OSTI2020

Count Rate Optimizations for TES Detectors at a Femtosecond X-ray Laser

Transition-edge sensor microcalorimeters have found success as X-ray detectors at synchrotron light-sources, due to a unique combination of high collecting area and good energy resolution. However, the upcoming generation of free-electron lasers (FELs), such as the Linac Coherent Light Source II, is designed to deliver more than 10 10 photons in a 100 fs pulse at a 100 kHz rate, potentially leading to severe pulse-pileup issues. Here we will demonstrate that, for most relevant science cases, it is possible to mitigate pulse pile-up using simple X-ray filters in a way that takes advantage of the substantial increase in X-ray flux at modern FELs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Modulation of Tropical Convection-Circulation Interaction by Aerosol Indirect Effects in Convective Self-Aggregation Simulations of a Gray Zone Global Model

Disentangling the response of tropical convective updrafts to enhanced aerosol concentrations has been challenging. Leading theories for explaining the influence of aerosol concentrations on tropical convection are based on the dynamical response of convection to changes in cloud microphysics, neglecting possible changes in the environment. In recent years, global convection-permitting models (GCPM) have been developed to circumvent problems arising from imposing artificial scale separation on physical processes associated with deep convection. Here, we use a global model in the convective gray zone that partially simulates deep convection to investigate how enhanced concentrations of aerosols that act as cloud condensate nuclei (CCN) impact tropical convection features by modulating the convection-circulation interaction. Results from a pair of idealized non-rotating radiative-convective equilibrium simulations show that the enhanced CCN concentration leads to weaker large-scale circulation, the closeness of deep convective systems to the moist cluster edges, and more mid-level cloud water at an equilibrium state in which convective self-aggregation occurred. Correspondingly, the enhanced CCN concentration modulates how the physical processes that support or oppose convective aggregation maintain the aggregated state at equilibrium. Overall, the enhanced CCN concentration facilitates the development of deep convection in a drier environment but reduces mean precipitation. Our results emphasize the importance of allowing atmospheric phenomena to evolve continuously across spatial and temporal scales in simulations when investigating the response of tropical convection to changes in cloud microphysics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

The advanced tokamak path to a compact net electric fusion pilot plant

Abstract Physics-based simulations project a compact net electric fusion pilot plant with a nuclear testing mission is possible at modest scale based on the advanced tokamak concept, and identify key parameters for its optimization. These utilize a new integrated 1.5D core-edge approach for whole device modeling to predict performance by self-consistently applying transport, pedestal and current drive models to converge fully non-inductive stationary solutions, predicting profiles and energy confinement for a given density. This physics-based approach leads to new insights and understanding of reactor optimization. In particular, the levering role of high plasma density is identified, which raises fusion performance and self-driven ‘bootstrap currents’, to reduce current drive demands and enable high pressure with net electricity at a compact scale. Solutions at 6–7 T, ∼4 m radius and 200 MW net electricity are identified with margins and trade-offs possible between parameters. Current drive comes from neutral beam and ultra-high harmonic (helicon) fast wave, though other advanced approaches are not ruled out. The resulting low recirculating power in a double null configuration leads to a divertor heat flux challenge that is comparable to ITER, though reactor solutions may require more dissipation. Strong H-mode access (x2 margin over L–H transition scalings) and ITER-like heat fluxes are maintained with ∼20%–60% core radiation, though effects on confinement need further analysis. Neutron wall loadings appear tolerable. The approach would benefit from high temperature superconductors, as higher fields would increase performance margins while potential for demountability may facilitate nuclear testing. However, solutions are possible with conventional superconductors. An advanced load sharing and reactive bucking approach in the device centerpost region provides improved mechanical stress handling. The prospect of an affordable test device which could close the loop on net-electric production and conduct essential nuclear materials and breeding research is compelling, motivating research to validate the techniques and models employed here.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Investigating profile stiffness and critical gradients in shaped TCV discharges using local gyrokinetic simulations of turbulent transport

The experimental observation made on the TCV tokamak of a significant confinement improvement in plasmas with negative triangularity ( δ < 0) compared to those with standard positive triangularity has been interpreted in terms of different degrees of profile stiffness (Sauter et al. Phys. Plasmas 21 055906, 2014) and/or different critical gradients. Employing the Eulerian gyrokinetic code GENE (Jenko et al. Phys. Plasmas 7 1904, 2000), profile stiffness and critical gradients are studied under TCV relevant conditions. For the considered experimental discharges, trapped electron modes (TEMs) and electron temperature gradient (ETG) modes are the dominant microinstabilities, with the latter providing a significant contribution to the non-linear electron heat fluxes near the plasma edge. Two series of simulations with different levels of realism are performed, addressing the question of profile stiffness at various radial locations. Retaining finite collisionality, impurities and electromagnetic effects, as well as the physical electron-to-ion mass ratio are all necessary in order to approach the experimental flux measurements. However, flux-tube simulations are unable to fully reproduce the TCV results, pointing towards the need to carry out radially nonlocal (global) simulations, i.e. retaining finite machine size effects, in a future study. Some conclusions about the effect of triangularity can nevertheless be drawn based on the flux-tube results. In particular, the importance of considering the sensitivity to both temperature and density gradient is shown. The flux tube results show an increase of the critical gradients towards the edge, further enhanced when δ < 0, and they also appear to indicate a reduction of profile stiffness towards plasma edge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

On the formation of edge electric fields in negative triangularity plasmas

The Negative Triangularity (NT) plasma edge is studied with full orbit simulations and compared with similar simulations using a Positive Triangularity (PT) edge geometry. It is found that the thermal edge ions in NT are less well confined than in PT. The edge ion losses in NT set-up an electric field inside the plasma in the loss region. This electric field leads to counter-current edge plasma flows and are consistent with observations in NT plasmas. It could also explain the good edge confinement in NT discharges via the E × B flow shear turbulence suppression mechanism.

electric fields↗
DOE OSTI2022

‘Flux+Mutability’: a conditional generative approach to one-class classification and anomaly detection

Abstract Anomaly Detection is becoming increasingly popular within the experimental physics community. At experiments such as the Large Hadron Collider, anomaly detection is growing in interest for finding new physics beyond the Standard Model. This paper details the implementation of a novel Machine Learning architecture, called Flux+Mutability, which combines cutting-edge conditional generative models with clustering algorithms. In the ‘flux’ stage we learn the distribution of a reference class. The ‘mutability’ stage at inference addresses if data significantly deviates from the reference class. We demonstrate the validity of our approach and its connection to multiple problems spanning from one-class classification to anomaly detection. In particular, we apply our method to the isolation of neutral showers in an electromagnetic calorimeter and show its performance in detecting anomalous dijets events from standard QCD background. This approach limits assumptions on the reference sample and remains agnostic to the complementary class of objects of a given problem. We describe the possibility of dynamically generating a reference population and defining selection criteria via quantile cuts. Remarkably this flexible architecture can be deployed for a wide range of problems, and applications like multi-class classification or data quality control are left for further exploration.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Insights into the Effect of Heat Treatment and Carbon Coating on the Electrochemical Behaviors of SiO Anodes for Li-Ion Batteries

The use of SiO as an anode material has attracted significant interest due to its high capacity and long cycling life. Many promising approaches, including structural design and carbon coating at high temperatures, effectively improve its intrinsic low electrical conductivity and poor Coulombic efficiency. However, the “heat treatment process-composition and microstructure-electrochemical properties” relationship of the SiO anode is not fundamentally understood. Here the structure and composition evolution in amorphous SiO and graphene-coated SiO is investigated using different heat-treatment conditions. X-ray absorption near-edge structure techniques are also employed to analyze the surface and bulk composition change during the initial lithiation process, supplemented by physical or chemical characterization and electrochemical testing. Here results reveal the structural transition of SiO during heat treatment, from amorphous to disproportionated hierarchical structure, where the as-formed dielectric exterior SiO 2 shell and interior SiO 2 matrix severely polarizes electrodes, hindering the lithiation process. Carbon coating on SiO effectively restricts the growth of the SiO 2 shell and facilitates charge transfer, leading to improved electrochemical performance. A schematic model is proposed to reveal the relationship between the treatments, the resultant structural evolutions, and corresponding electrochemical behaviors.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Boundary diffraction wave theory approach to corner diffraction

The scattering process of plane waves by a discontinuous edge contour is studied with the three dimensional boundary diffraction wave theory. The edge and corner diffracted fields are obtained from the stationary phase and edge point evaluations of the line integral. A new corner diffraction coefficient is derived. The behaviors of the uniform edge and corner diffracted waves are investigated numerically.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Analysis techniques for blob properties from gas puff imaging data

Filamentary structures, also known as blobs, are a prominent feature of turbulence and transport at the edge of magnetically confined plasmas. They cause cross-field particle and energy transport and are, therefore, of interest in tokamak physics and, more generally, nuclear fusion research. Several experimental techniques have been developed to study their properties. Among these, measurements are routinely performed with stationary probes, passive imaging, and, in more recent years, Gas Puff Imaging (GPI). In this work, we present different analysis techniques developed and used on 2D data from the suite of GPI diagnostics in the Tokamak à Configuration Variable, featuring different temporal and spatial resolutions. Although specifically developed to be used on GPI data, these techniques can be employed to analyze 2D turbulence data presenting intermittent, coherent structures. We focus on size, velocity, and appearance frequency evaluation with, among other methods, conditional averaging sampling, individual structure tracking, and a recently developed machine learning algorithm. We describe in detail the implementation of these techniques, compare them against each other, and comment on the scenarios to which these techniques are best applied and on the requirements that the data must fulfill in order to yield meaningful results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Asymptotic vacuum solution at tokamak X-point tip

In the H-mode regime of diverted tokamaks, the presence of strong pressure gradients in the pedestal gives rise to a sizable bootstrap current, together with the Ohmic and Pfirsch–Schlueter currents, close to the separatrix. For such equilibria, the presence of finite current density close to the separatrix requires the reexamination of equilibrium properties. It is almost universally assumed that the two branches of the separatrix (the stable and unstable manifolds) are straight as they cross at the X-point. However, the opposite angles of the plasma-filled segment and vacuum one cannot be equal if the current density does not vanish at the separatrix on the plasma side. We solve this difficulty by chipping off a thin layer of plasma edge so that the sharp corner of the plasma-filled segment becomes a hyperbola. Using the conformal transformation, we found that in the assumption of a hyperbolic boundary, the X point moves beyond the plasma boundary to fall in the vacuum region. An acute angle of the plasma-filled segment leads to an obtuse opposite angle of vacuum segment and vice versa. In the case of an acute angle of the plasma-filled segment, the new X point shifts inside the X point formed by the asymptotes of a hyperbolic boundary; in the case of an obtuse angle of the plasma-filled segment, the new X point shifts outside the X point formed by the asymptotes of a hyperbolic plasma boundary. Furthermore, the results are important for understanding the X point features, which affect the tokamak edge stability and transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Observation of backscattering induced by magnetism in a topological edge state

Significance One of the predicted characteristics of helical topological boundary modes is the absence of backscattering when time-reversal symmetry (TRS) is preserved. While previous experiments have provided evidence for this topological protection, inducing backscattering by breaking TRS has yet to be demonstrated. We test this fundamental property by investigating quasiparticle scattering in the one-dimensional topological edge state of bismuth bilayers, coupled to ferromagnetic iron clusters, using a scanning tunneling microscope. Our experimental observations demonstrate that backscattering is induced by magnetism of iron clusters in these topological edge modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A first principles analysis of potential-dependent structural evolution of active sites in Fe-N-C catalysts

Fe-N-C (iron–nitrogen–carbon) electrocatalysts have emerged as potential alternatives to precious metal-based materials for the oxygen reduction reaction (ORR). However, the structure of these materials under electrochemical conditions is not well understood, and their poor stability in acidic environments poses a formidable challenge for successful adoption in commercial fuel cells. To provide molecular-level insights into these complex phenomena, we combine periodic density functional theory (DFT) calculations, exhaustive treatment of coadsorption effects for ORR reaction intermediates, including O and OH, and comprehensive analysis of solvation stabilization effects to construct voltage-dependent ab initio thermodynamic phase diagrams that describe the in situ structure of the active sites. These structures are further linked to activity and stability descriptors that can be compared with experimental parameters such as the half-wave potential for ORR and the onset potential for carbon corrosion and CO 2 evolution. The results indicate that pyridinic Fe sites at zigzag carbon edges, as well as other edge sites, exhibit high activity for ORR compared to sites in the bulk. However, edges neighboring the active sites are prone to instability via overoxidation and consequent site loss. The results suggest that it could be beneficial to synthesize Fe-N-C catalysts with small sizes and large perimeter edge lengths to enhance ORR activity, while voltage fluctuations should be limited during fuel cell operation to prevent carbon corrosion of overoxidized edges.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Simulations of tokamak edge plasma turbulent fluctuations based on a minimal 3D model

In this study, a new simulation model for tokamak boundary plasma, SOLT3D, is implemented in the BOUT++ framework. The simulation model includes a set of dynamic equations describing collisional boundary plasma and neutral gas in the tokamak scrape-off layer and divertor region. The model is verified against standard linear plasma instabilities and available nonlinear results. For L-mode like conditions, SOLT3D reproduces characteristics of boundary plasma turbulent fluctuations that are similar to published experimental data, in terms of the amplitude and spatial dependence of the fluctuations. It also reproduces realistic plasma fluxes on material surfaces and expected Bohm-like effective radial transport. Plasma fluctuations inferred from the simulations imply inevitably a significant level of intrinsic 'noise' for axisymmetric tokamak plasma transport modeling, introducing errors on the order of unity. In particular, the toroidally averaged atomic rates below 5–10 eV are strongly modified by turbulent plasma fluctuations, which should significantly affect the standard axisymmetric modeling of the tokamak edge plasma and divertor.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗