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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A bi-channel aided stitching of atomic force microscopy images

Microscopy is an essential tool in scientific research, enabling the visualization of structures at micro- and nanoscale resolutions. However, the field of microscopy often encounters limitations in field-of-view (FOV), restricting the amount of sample that can be imaged in a single capture. To overcome this limitation, image stitching techniques have been developed to seamlessly merge multiple overlapping images into a single, high-resolution composite. The images collected from microscope need to be optimally stitched before accurate physical information can be extracted from post analysis. However, the existing stitching tools either struggle to stitch images together when the microscopy images are feature sparse or cannot address all the transformations of images when performing image stitching. To address these issues, we propose a bi-channel aided feature-based image stitching method and demonstrate its use on Atomic Force Microscopy (AFM) generated Pantoea sp. YR343 biofilm and PTO thin film sample images as experimental data. The topographical channel image of AFM data captures the morphological details of the sample, and a stitched topographical image is desired for researchers. We utilize the amplitude and phase channels of AFM data to maximize the matching features and to estimate the position of the original topographical images and show that the proposed bi-channel aided stitching method outperforms the traditional direct stitching approach in AFM topographical image stitching task. Here, we demonstrated the application on AFM, but similar approaches could be employed of optical microscopy with brightfield and fluorescence channels. We believe this proposed workflow can serve as a valuable augmentation strategy for microscopy image stitching tasks and will benefit the experimentalist to avoid erroneous analysis and discovery due to incorrect stitching.

Atomic force microscopy↗
DOE OSTI2021

Skyrmion control of Majorana states in planar Josephson junctions

Planar Josephson junctions provide a versatile platform, alternative to the nanowire-based geometry, for the generation of the Majorana bound states, due to the additional phase tunability of the topological superconductivity. The proximity induction of chiral magnetism and superconductivity in a two-dimensional electron gas showed remarkable promise to manipulate topological superconductivity. Here, we consider a Josephson junction involving a skyrmion crystal and show that the chiral magnetism of the skyrmions can create and control the Majorana bound states without the requirement of an intrinsic Rashba spin-orbit coupling. Interestingly, the Majorana bound states in our geometry are realized robustly at zero phase difference at the junction. The skyrmion radius, being externally tunable by a magnetic field or a magnetic anisotropy, brings a unique control feature for the Majorana bound states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Synthesis, characterization, and polymerization of capped paddlewheel porous cages

Although paddlewheel-based structures are common among permanently porous metal–organic materials, suitable strategies for the isolation of metal node-terminated, capped paddlewheel-based cage structures remain limited. We explored the use of chelating dicarboxylate ligand derivates (esp) for the isolation of trimesate-linked cages, Mo 12 (btc) 4 (esp) 6 , that are structural analogs of the small octahedral pore of HKUST-1. The porosity of these novel cages is appreciably higher than that of previously reported structures of this type. We also demonstrate that pillaring the isolated cage with DABCO generated an amorphous polymer that featured exceptional thermal stability and enhanced porosity.

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

Characteristics of Vertical Ground Motions and Their Effect on the Seismic Response of Bridges in the Near-Field: A State-of-the-Art Review

Despite the evidence from past earthquakes and several numerical investigations demonstrating the detrimental impact of vertical ground motions (VGMs) on the integrity of bridge structures, incorporating their effects into seismic assessment and design procedures has traditionally been given limited consideration. Current codes utilize rather simplistic approaches to account for the concurrent effects of vertical and horizontal motions in structural performance evaluations, potentially leading to unconservative estimates of structural demands. This paper reviews the main features of VGMs and their effect on the seismic response of bridges. The methods and empirical models available to estimate vertical motions for design purposes are discussed, and research gaps and related research needs are identified. Finally, the emerging role of physics-based ground-motion simulations, as well as their limitations, in supporting future research and informing the development of simplified design procedures is examined. The main areas of interest for future research are identified in the need to carry out systematic sensitivity studies to gain insight into the main earthquake parameters that influence key VGMs features, understand the influence of soil nonlinearities on VGMs amplitude and frequency content, inform the development of empirical models that cover a range of site conditions and source-to-site distances where current models are poorly constrained, generate arrays of motions to update coherency models to properly inform the analysis of distributed infrastructure, investigate the impulsive character of VGMs, and assess the approximations made in estimating VGMs with 1D site response analyses. Furthermore, specific focus is laid on large-magnitude earthquakes in the near-field.

Asynchronous ground motion↗
DOE OSTI2020

Vibronic exciton model for low bandgap donor–acceptor polymers

In this study, a vibronic exciton model is introduced to describe the excited state band structure and associated absorption spectra of low bandgap donor–acceptor conjugated polymers. The Hamiltonian is represented in a diabatic basis consisting of Frenkel-like donor and acceptor fragment excitations as well as charge-transfer (CT) excitations between neighboring fragments. States are coupled to each other through electron and hole transfer as well as Coulombically, through interacting fragment transition dipole moments. Local vibronic coupling involving the prominent aromatic-quinoidal vibrational mode, which is responsible for pronounced vibronic progressions in most conjugated oligomers and polymers, is also included. The DAD repeat unit is shown to behave like a J-aggregate trimer, driven by both the sizable in-phase electron and hole transfer integrals between donor and acceptor fragments as well as negative Coulomb coupling between donor and acceptor fragment excitations. The J-aggregate behavior is enhanced in the polymer limit through inter-repeat unit coupling, with the 0–0 vibronic peak significantly enhanced in the lowest-energy near-IR band. In addition, the radiative rate is enhanced by the number of coherently connected repeat units. The near-IR band is shown to possess roughly equal admixtures of CT and Frenkel-like excitations. Applications are made to the polymer PffBT4T-2DT, with the simulated absorption spectrum quantitatively capturing the salient features of the measured spectrum.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Unconventional Fractional Phases in Multiband Vortexable Systems

We study topological flat bands with distinct features that deviate from conventional Landau level behavior. We show that even in the ideal quantum geometry limit, moiré flat band systems can exhibit physical phenomena fundamentally different from Landau levels without lattices. In particular, we find new fractional quantum Hall states emerging from multiband vortexable systems, where multiple exactly flat bands appear at the Fermi energy. While the set of bands as a whole exhibits ideal quantum geometry, individual bands separately lose vortexability, and thus making them very different from a stack of Landau levels. At certain filling fractions, we find fractional states whose Hall conductivity deviates from the filling factor. Through careful numerical and analytical studies, we rule out all known mechanisms—such as fractional quantum Hall crystals or separate filling of trivial and topological bands—as possible explanations. Leveraging the exact solvability of vortexable systems, we use analytic Bloch wave functions to uncover the origin of these new fractional states, which arises from the commensurability between the moiré unit cell and the magnetic unit cell of an emergent effective magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Microwave-Free Dynamic Nuclear Polarization via Sudden Thermal Jumps

Dynamic nuclear polarization (DNP) presently stands as the preferred strategy to enhance the sensitivity of nuclear magnetic resonance measurements, but its application relies on the use of high-frequency microwave to manipulate electron spins, an increasingly demanding task as the applied magnetic field grows. Here we investigate the dynamics of a system hosting a polarizing agent formed by two distinct paramagnetic centers near a level anticrossing. We theoretically show that nuclear spins polarize efficiently under a cyclic protocol that combines alternating thermal jumps and radio-frequency pulses connecting hybrid states with opposite nuclear and electronic spin alignment. Central to this process is the difference between the spin-lattice relaxation times of either electron spin species, transiently driving the electronic spin bath out of equilibrium after each thermal jump. Without the need for microwave excitation, this route to enhanced nuclear polarization may prove convenient, particularly if the polarizing agent is designed to feature electronic level anticrossings at high magnetic fields.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Cryogenic Front-End ASICs for Low-Noise Readout of Charge Signals

This paper presents design details and measurement results of LArASIC, a front-end application specific integrated circuit (ASIC) designed for low-noise readout of charge signals generated in neutrino study experiments within liquid argon time projection chambers. LArASIC comprises of 16-channels of programmable charge amplification and pulse shaping stages that provide a voltage readout proportional to the input charge and was optimized for operation at liquid argon temperature, i.e., 89 K. The chip was fabricated in a 180 nm CMOS process. Measurements at liquid nitrogen temperature, i.e., 77 K, indicate that the channel outputs have high linearity (INL < 0.1%) within the operating range, an equivalent noise charge of 534 electrons for a peaking time of 1 µs and a detector capacitance of 150 pF, and a worst-case inter-channel cross-talk of 0.35%. The paper also presents design choices made in the process of migrating LArASIC to CHARMS, an ASIC to be fabricated in a 65 nm process that includes all features provided by LArASIC, along with additional digital programmability for improved robustness and flexibility. CHARMS is intended for use in future high-energy physics experiments that require high-resolution charge or light readout with shorter pulse peaking times.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

An Adaptive Tracking Algorithm for Convection in Simulated and Remote Sensing Data

A robust and computationally efficient object tracking algorithm is developed by incorporating various tracking techniques. Physical properties of the objects, such as brightness temperature or reflectivity, are not considered. Therefore, the algorithm is adaptable for tracking convection-like features in simulated data and remotely sensed two-dimensional images. In this algorithm, a first guess of the motion, estimated using the Fourier phase shift, is used to predict the candidates for matching. A disparity score is computed for each target–candidate pair. The disparity also incorporates overlapping criteria in the case of large objects. Then the Hungarian method is applied to identify the best pairs by minimizing the global disparity. The high-disparity pairs are unmatched, and their target and candidate are declared expired and newly initiated objects, respectively. They are tested for merger and split on the basis of their size and overlap with the other objects. The sensitivity of track duration is shown for different disparity and size thresholds. The report highlights the algorithm’s ability to study convective life cycles using radar and simulated data over Darwin, Australia. The algorithm skillfully tracks individual convective cells (a few pixels in size) and large convective systems. The duration of tracks and cell size are found to be lognormally distributed over Darwin. The evolution of size and precipitation types of isolated convective cells is presented in the Lagrangian perspective. This algorithm is part of a vision for a modular platform [viz., TINT is not TITAN (TINT) and Tracking and Object-Based Analysis of Clouds (tobac)] that will evolve into a sustainable choice to analyze atmospheric features.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

An overview of the operation architectures and energy management system for multiple microgrid clusters

The emerging novel energy infrastructures, such as energy communities, smart building-based microgrids, electric vehicles enabled mobile energy storage units raise the requirements for a more interconnective and interoperable energy system. It leads to a transition from simple and isolated microgrids to relatively large-scale and complex interconnected microgrid systems named multi-microgrid clusters. In order to efficiently, optimally, and flexibly control multi-microgrid clusters, cross-disciplinary technologies such as power electronics, control theory, optimization algorithms, information and communication technologies, cyber-physical, and big-data analysis are needed. This paper introduces an overview of the relevant aspects for multi-microgrids, including the outstanding features, architectures, typical applications, existing control mechanisms, as well as the challenges.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Oblique instability of quasi-parallel whistler waves in the presence of cold and warm electron populations

Whistler waves propagating nearly parallel to the ambient magnetic field experience a nonlinear instability due to transverse currents when the background plasma has a population of sufficiently low energy electrons. Intriguingly, this nonlinear process may generate oblique electrostatic waves, including whistlers near the resonance cone with properties resembling oblique chorus waves in the Earth’s magnetosphere. Focusing on the generation of oblique whistlers, earlier analysis of the instability is extended here to the case where low-energy background plasma consists of both a “cold” population with energy of a few eV and a “warm” electron component with energy of the order of 100 eV. This is motivated by spacecraft observations in the Earth’s magnetosphere where oblique chorus waves were shown to interact resonantly with the warm electrons. The main new results are: 1) the instability producing oblique electrostatic waves is sensitive to the shape of the electron distribution at low energies. In the whistler range of frequencies, two distinct peaks in the growth rate are typically present for the model considered: a peak associated with the warm electron population at relatively low wavenumbers and a peak associated with the cold electron population at relatively high wavenumbers; 2) overall, the instability producing oblique whistler waves near the resonance cone persists (with a reduced growth rate) even in the cases where the temperature of the cold population is relatively high, including cases where cold population is absent and only the warm population is included; 3) particle-in-cell simulations show that the instability leads to heating of the background plasma and formation of characteristic plateau and beam features in the parallel electron distribution function in the range of energies resonant with the instability. The plateau/beam features have been previously detected in spacecraft observations of oblique chorus waves. However, they have been attributed to external sources and have been proposed to be the mechanism generating oblique chorus. In the present scenario, the causality link is reversed and the instability generating oblique whistler waves is shown to be a possible mechanism for formation of the plateau and beam features.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Cosmic ray muon clustering for the MicroBooNE liquid argon time projection chamber using sMask-RCNN

In this article, we describe a modified implementation of Mask Region-based Convolutional Neural Networks (Mask-RCNN) for cosmic ray muon clustering in a liquid argon TPC and applied to MicroBooNE neutrino data. Our implementation of this network, called sMask-RCNN, uses sparse submanifold convolutions to increase processing speed on sparse datasets, and is compared to the original dense version in several metrics. The networks are trained to use wire readout images from the MicroBooNE liquid argon time projection chamber as input and produce individually labeled particle interactions within the image. These outputs are identified as either cosmic ray muon or electron neutrino interactions. We find that sMask-RCNN has an average pixel clustering efficiency of 85.9% compared to the dense network's average pixel clustering efficiency of 89.1%. We demonstrate the ability of sMask-RCNN used in conjunction with MicroBooNE's state-of-the-art Wire-Cell cosmic tagger to veto events containing only cosmic ray muons. The addition of sMask-RCNN to the Wire-Cell cosmic tagger removes 70% of the remaining cosmic ray muon background events at the same electron neutrino event signal efficiency. This event veto can provide 99.7% rejection of cosmic ray-only background events while maintaining an electron neutrino event-level signal efficiency of 80.1%. In addition to cosmic ray muon identification, sMask-RCNN could be used to extract features and identify different particle interaction types in other 3D-tracking detectors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Multi-physics Modeling of Radiative Heat Transfer and Fluid Flow for the Reactor Cavity Cooling System

High-temperature gas-cooled reactors (HTGRs) are notable for their high thermal efficiency and potential for combined heat and power applications. These reactors are particularly appealing due to their advanced passive safety features. HTGRs utilize passive safety systems that function without requiring active components like pumps or compressors during emergencies. These reactor designs depend on a Reactor Cavity Cooling System (RCCS) to manage decay heat removal from the reactor pressure vessel (RPV) during accident conditions. The RCCS consists of vertical rectangular channels known as "risers" or riser ducts positioned around the RPV. These risers receive heat from the RPV through both convective and radiative heat transfer mechanisms. Understanding the interplay of multiple physical phenomena, such as fluid dynamics, heat transfer, and neutron interactions, is essential for the effective design and operation of nuclear reactors, particularly for systems like the RCCS. Multi-physics simulations provide a comprehensive approach to studying these interactions, offering detailed insights and enhancing accuracy. They are especially important in RCCS designs, where the interaction between radiative and convective heat transfer can significantly impact system performance. By leveraging multi-physics simulations, complex reactor behaviors can be modeled without compromising the fidelity of the underlying physical processes. This work aims to establish a robust methodology for coupling multiple physical processes in an air-cooled RCCS. By focusing on validating this multi-physics approach, the study involves designing test cases that simulate various conditions to verify the numerical models employed. The outcomes of this research will provide critical insights for accurately modeling and optimizing complex nuclear systems like the RCCS.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Model for Independent Particle Motion

Independent particle model in nuclear physics assumes that the nucleon in the nucleus moves in the average (mean field) potential generated by all other nucleons. This chapter gives a short overview of basic features of the independent particle motion in atomic nuclei and its theoretical realization in the framework of shell models for spherical, deformed, and rotating nuclei as well as in more sophisticated approaches such as microscopic+macroscopic model and density functional theories. Independent particle motion of nucleons leads to global and single-particle consequences. The global ones manifest themselves in the shell structure, and its consequences for the global structure of nuclear landscape, the existence of superheavy nuclei, and the superdeformation at high spin are briefly reviewed. Finally, the latter shows itself in the single-particle properties such as energies, alignments, and densities; their manifestations are illustrated on specific examples.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Physics informed neural network can retrieve rate and state friction parameters from acoustic monitoring of laboratory stick-slip experiments

Various machine learning (ML) and deep learning (DL) techniques have been recently applied to the forecasting of laboratory earthquakes from friction experiments. The magnitude and timing of shear failures in stick-slip cycles are predicted using features extracted from the recorded ultrasonic or acoustic emission (AE) signals. In addition, the Rate and State Friction (RSF) constitutive laws are extensively used to model the frictional behavior of faults. In this work, we use data from shear experiments coupled with passive acoustic (variance, kurtosis, and AE rate) interleaved with active source ultrasonic monitoring (transmitted wave amplitude) to develop physics-informed neural network (PINN) models incorporating the RSF law and AE rate generation equation with wave amplitude serving as a proxy for friction state variable. This PINN framework allows learning RSF parameters from stick-slip experiments rather than measuring them through a series of velocity step experiments. We observe that when the stick-slip cycles are irregular, the PINN models outperform the data-driven DL models. Transfer learning (TL) PINN models are also developed by pre-training on data collected at one normal stress level followed by forecasting shear failures and retrieving RSF parameters at other stress levels (i.e., with different recurrence intervals) after retraining on a limited amount of new data. Our findings suggest that TL models perform better compared to standalone models. Both standalone and TL PINN-estimated RSF parameters and their ground truth values show excellent agreements thus demonstrating that RSF parameters can be retrieved from laboratory stick-slip experiments using the corresponding acoustic data and that the transmitted wave amplitude provides a good representation of the evolving frictional state during stick-slips.

58 GEOSCIENCES↗
DOE OSTI2021

Machine learning feature analysis illuminates disparity between E3SM climate models and observed climate change

In September of 2020, Arctic sea ice extent was the second-lowest on record. State of the art climate prediction uses Earth system models (ESMs), driven by systems of differential equations representing the laws of physics. Previously, these models have tended to underestimate Arctic sea ice loss. The issue is grave because accurate modeling is critical for economic, ecological, and geopolitical planning. We use machine learning techniques, including random forest regression and Gini importance, to show that the Energy Exascale Earth System Model (E3SM) relies too heavily on just one of the ten chosen climatological quantities to predict September sea ice averages. Furthermore, E3SM gives too much importance to six of those quantities when compared to observed data. Finally, identifying the features that climate models incorrectly rely on should allow climatologists to improve prediction accuracy.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

High Thermoelectric Performance and Defect Energetics of Multipocketed Full Heusler Compounds

We report a first-principles density-functional study of electron-phonon interactions in and thermoelectric transport properties of the full Heusler compounds Sr 2 BiAu and Sr 2 SbAu. Our results show that ultrahigh intrinsic bulk thermoelectric performance across a wide range of temperatures is physically possible and point to the presence of multiply degenerate and highly dispersive carrier pockets as the key factor for achieving this. Sr 2 BiAu, which features ten energy-aligned low-effective-mass pockets (six along Γ-X and four at L), is predicted to deliver n-type zT=0.4-4.9 at T=100-700 K. Comparison with the previously investigated compound Ba 2 BiAu shows that the additional L pockets in Sr 2 BiAu significantly increase its low-temperature power factor to a maximum value of 12 mW m -1 K -2 near T=300 K. However, at high temperatures the power factor of Sr 2 BiAu drops below that of Ba 2 BiAu because the L states are heavier and subject to strong scattering by phonon deformation, as opposed to the lighter Γ-X states, which are limited by polar-optical scattering. Sr2SbAu is predicted to deliver a lower n-type zT=3.4 at T=750 K due to appreciable misalignment between the L and Γ-X carrier pockets, generally heavier scattering, and a slightly higher lattice thermal conductivity. Soft acoustic modes, which are responsible for the low lattice thermal conductivity, also increase the vibrational entropy and high-temperature stability of these Heusler compounds, suggesting that their experimental synthesis may be feasible. The dominant intrinsic defects are found to be Au vacancies, which drive the Fermi level towards the conduction band and work in favor of n-doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗