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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Atomic-Level, Energy-Conversion Heat Transfer

Abstract Heat is stored in quanta of kinetic and potential energies in matter. The temperature represents the equilibrium and excited occupation (boson) of these energy conditions. Temporal and spatial temperature variations and heat transfer are associated with the kinetics of these equilibrium excitations. During energy-conversion (between electron and phonon systems), the occupancies deviate from equilibria, while holding atomic-scale, inelastic spectral energy transfer kinetics. Heat transfer physics reaches nonequilibrium energy excitations and kinetics among the principal carriers, phonon, electron (and holes and ions), fluid particle, and photon. This allows atomic-level tailoring of energetic materials and energy-conversion processes and their efficiencies. For example, modern thermal-electric harvesters have transformed broad-spectrum, high-entropy heat into a narrow spectrum of low-entropy emissions to efficiently generate thermal electricity. Phonoelectricity, in contrast, intervenes before a low-entropy population of nonequilibrium optical phonons becomes a high-entropy heat. In particular, the suggested phonovoltaic cell generates phonoelectricity by employing the nonequilibrium, low-entropy, and elevated temperature optical-phonon produced population—for example, by relaxing electrons, excited by an electric field. A phonovoltaic material has an ultranarrow electronic bandgap, such that the hot optical-phonon population can relax by producing electron-hole pairs (and power) instead of multiple acoustic phonons (and entropy). Examples of these quanta and spectral heat transfer are reviewed, contemplating a prospect for education and research in this field.

Engineering↗
DOE OSTI2026

Enhancing transfer learning in angle-resolved photoemission spectroscopy (ARPES) with spatially-aware representations via graph convolution

A recent application of machine learning has been to spatially-resolved angle-resolved photoemission spectroscopy (ARPES). Here we advance the state-of-the-art by applying representational learning to transform ARPES data into an embedding space of a pre-trained self-supervised learning model, thus enhancing the pipeline that improves the bandstructure classification and domain assignment/segmentation performance compared to a k-means clustering method. In the current iteration, the real-space information is entered into the domain assignment through the graph convolution method, which improves the transfer learning performance of the original self-supervised model. Lastly, an unsupervised automated tool is developed that incorporates these techniques to enable automatic domain assignment.

ARPES↗
DOE OSTI2023

Nanoscale Mapping of Hydrogen Distribution in Nuclear Structural Materials Using Cryogenic Transfer Atom Probe Tomography

Analyzing hydrogen distribution in nuclear structural materials at sub-nanometer scale spatial resolution has been challenging by electron microscopy. Furthermore, methods such as thermal desorption spectroscopy only provides a bulk estimate of hydrogen concentration with no nanoscale spatial resolution. In the last decade, cryogenic transfer atom probe tomography (APT) has been emerging as an invaluable characterization technique for analyzing the nanoscale distribution of hydrogen isotopes in materials.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Mechanisms Underlying Plastocyanin-Cytochrome f Electron Transfer Investigated via Site-Specific Linear and Two-dimensional Infrared Spectroscopy

The goal of this research is to further our understanding of biological electron transfer in photosynthesis through the development and application of new methods for studying proteins with high spatial and temporal detail. Biological electron transfer occurs between metal sites imbedded in proteins where the environment and its motions can be very different from those of normal bulk liquids. Moreover, electron transfer between two proteins typically involves short-lived binding interactions within a highly mobile complex. We have directed our studies at photosynthetic electron transfer proteins plastocyanin and cytochrome f. We have labeled two key ligands to the copper ion of plastocyanin with carbon deuterium probe vibrations that enable their selective analysis by infrared spectroscopy. This analysis has shown that association of plastocyanin with cytochrome f leads to large changes in the bonding between the copper ion and ligands. In addition, the probes have been used to assess the contribution of the protein scaffold of plastocyanin in dictating the copper coordination geometry. We also have made progress to extend our experiments from equilibrium to non-equilibrium studies. The studies help to illuminate how proteins are tuned to control biological electron transfer. A better understanding of electron transfer reactions in natural photosynthesis will bolster efforts to develop artificial systems for energy production.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Role of Parallel Solenoidal Electric Field on Energy Conversion in 2.5D Decaying Turbulence with a Guide Magnetic Field

We perform 2.5D particle-in-cell simulations of decaying turbulence in the presence of a guide (out-of-plane) background magnetic field. The fluctuating magnetic field initially consists of Fourier modes at low wavenumbers (long wavelengths). With time, the electromagnetic energy is converted to plasma kinetic energy (bulk flow+thermal energy) at the rate per unit volume of J· E for current density J and electric field E. Such decaying turbulence is well known to evolve toward a state with strongly intermittent plasma current. Here we decompose the electric field into components that are irrotational, E ir , and solenoidal (divergence-free), E so . E ir is associated with charge separation, and J · E ir is a rate of energy transfer between ions and electrons with little net change in plasma kinetic energy. Therefore, the net rate of conversion of electromagnetic energy to plasma kinetic energy is strongly dominated by J · E so , and for a strong guide magnetic field, this mainly involves the component E so,∥ parallel to the total magnetic field B. We examine various indicators of the spatial distribution of the energy transfer rate J ∥ · E so,∥ , which relates to magnetic reconnection, the best of which are (1) the ratio of the out-of-plane electric field to the in-plane magnetic field, (2) the out-of-plane component of the nonideal electric field, and (3) the magnitude of the estimate of current helicity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Quantifying spatial resolution in a fast neutron radiography system

Neutron imaging is a powerful nondestructive examination modality that has been employed in various applications. Fast neutrons provide advantages over lower energy neutrons, such as examining thicker samples and inducing negligible activation and transmutations. However, fast neutrons interact mostly via elastic scattering with both the neutron detector and the object, causing degradation in spatial resolution. This study explores the quantification of spatial resolution caused by the testing target itself and suggests proper candidate materials for characterizing spatial resolution in terms of modulation transfer function. Knife-edge radiographs of 3 mm, 6 mm, and 5 cm thick Tantalum (Ta) foils, and a 2.54 cm Tungsten (W) cube were acquired using a CCD-based imaging system and a Polyvinyl Toluene (PVT) scintillator at the Ohio State Research Reactor (OSURR)’s fast neutron beam facility. The spatial resolutions calculated were 195 ± 20 μm, 224 ± 22 μm, 248 ± 25 μm, and 435 ± 44 μm for 3 mm, 6 mm, and 5 cm Ta foils, and 2.54 cm W cube, respectively. The results showed a worsening spatial resolution with increasing target thickness. Simulations and calculations estimate that elastic scattering kinematics between neutrons and protons in the PVT medium also limits spatial resolution, and it sets a lower limit of ~44 μm on the spatial resolution for 2 MeV neutrons.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Spatial patterns of light-harvesting antenna complex arrangements tune the transfer-to-trap efficiency of excitons in purple bacteria.

In photosynthesis, the efficiency with which a photogenerated exciton reaches the reaction center is dictated by chromophore energies and the arrangement of chromophores in the supercomplex. Here, we explore the interplay between the arrangement of light-harvesting antennae and the efficiency of exciton transport in purple bacterial photosynthesis. Using a Miller-Abrahams-based exciton hopping model, we compare different arrangements of light-harvesting proteins on the intracytoplasmic membrane. We find that arrangements with aggregated LH1s have a higher efficiency than arrangements with randomly distributed LH1s in a wide range of physiological light fluences. This effect is robust to the introduction of defects on the intracytoplasmic membrane. Our result explains the absence of species with aggregated LH1 arrangements in low-light niches and the large increase seen in the expression of LH1 dimer complexes in high fluences. We suggest that the effect seen in our study is an adaptive strategy toward solar light fluence across different purple bacterial species.

Onizhuk, Mykyta↗
DOE OSTI2023

Assessment of ITER radiation environment during the remote-handling operation of In-Vessel components with D1SUNED

During ITER operational life, a remote-handled cask will be used to transfer In-Vessel components to the Hot Cell for maintenance, storage and decommissioning purposes. Due to the distribution of penetrations for system allocation in the facility, the radiation field of each transfer operation presents a high spatial variability; all operations must be studied independently for workers and electronics protection. In this paper, we present a fully representative approach to describe the radiation environment during the complete remote-handling scenario of In-Vessel components in the ITER facility. The impact of all relevant radiation sources during different stages of the operation is addressed. As-built structures and 2020 baseline designs are considered to produce the most detailed neutronics model of the Tokamak Complex, the 400,000-tonne civil structure hosting the tokamak, up to date. Novel capabilities of the D1SUNED code have allowed to compute the integral dose, the dose rate and the photon-induced neutron flux of both moving and static radiation sources. Time bins are included in the simulations to compute the dose rate caused by In-Vessel components at all positions along the transfer. The time evolution of the dose rate is built in video format with a 1-m resolution, especially valuable for hot-spots identification.

42 ENGINEERING↗
DOE OSTI2024

Multi-Level Structural Damage Characterization Using Sparse Acoustic Sensor Networks and Knowledge Transferred Deep Learning

Standard structural health monitoring techniques face well-known difficulties for comprehensive defect diagnosis in real-world structures that have structural, material, or geometric complexity. This motivates the exploration of machine-learning-based structural health monitoring methods in complex structures. However, creating sufficient training data sets with various defects is an ongoing challenge for data-driven machine (deep) learning algorithms. The ability to transfer the knowledge of a trained neural network from one component to another or to other sections of the same component would drastically reduce the required training data set. Also, it would facilitate computationally inexpensive machine learning based inspection systems. In this work, a machine-learning-based multi-level damage characterization is demonstrated with the ability to transfer trained knowledge within the sparse sensor network. A novel network spatial assistance and an adaptive convolution technique are proposed for efficient knowledge transfer within the deep learning algorithm. Proposed structural health monitoring method is experimentally evaluated on an aluminum plate with artificially induced defects. It was observed that the method improves the performance of knowledge transferred damage characterization by 50% during localization and 24% during severity assessment. Further, experiments using time windows with and without multiple edge reflections are studied. Results reveal that multiply scattered waves contain rich and deterministic defect signatures that can be mined using deep learning neural networks, improving the accuracy of both identification and quantification. In the case of a fixed sensor network, using multiply scattered waves shows 100% prediction accuracy at all levels of damage characterization.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Sub-quarter micrometer periodically poled Al 0.68 Sc 0.32 N for ultra-wideband photonics and acoustic devices

In this study, we demonstrate the ability of polarity inversion of sputtered aluminum scandium nitride thin films through post-fabrication processes with domain widths as small as 220 nm at a periodicity of 440 nm. An approach using photo- and electron-beam lithography to generate sub-quarter micrometer feature size with adjustable duty cycle through a lift-off process is presented. Here, the film with a coercive field $E_c^+$ of 5.35 MV/cm was exercised first with a 1 kHz triangular double bipolar wave and ultimately poled with a 0.5 kHz double monopolar wave using a Radiant Precision Premier II tester. The metal polar (M-polar) and nitrogen polar (N-polar) domains were identified and characterized through potassium hydroxide wet etching as well as piezoresponse force microscopy (PFM). Well-distinguished boundaries between the oppositely polarized domain regions were confirmed through the phase diagram of the PFM results. The relationship between the electrode width, poling voltage, and domain growth was experimentally studied and statistically analyzed, where 7.96 nm/V domain width broadening vs escalating poling voltage was observed. This method produces extremely high domain spatial resolution in III-nitride materials via poling and is transferable to a CMOS-compatible photolithography process. The spatial resolution of the periodically poled Al 0.68 Sc 0.32 N is suitable for second-harmonic generation of deep ultraviolet through quasi-phase-matching and RF MEMS operating in the X-Band spectrum.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Application-driven synthesis and characterization of hexagonal boron nitride deposited on metals and carbon nanotubes

Hexagonal boron nitride (h-BN) is unique among two-dimensional materials, with a large band gap (~6 eV) and high in-plane thermal conductivity (>400 W m -1 K -1 ), second only to diamond among electrical insulators. Many studies to date have relied on exfoliated h-BN, however, for large-scale applications the material must be synthesized by methods such as chemical vapor deposition (CVD). Here, we first investigate single-layer h-BN synthesized by CVD on single crystal platinum (Pt), comparing these films with h-BN deposited on more commonly used polycrystalline Pt and Cu. The h-BN film grown on single crystal Pt has the lowest surface roughness and best spatial homogeneity, and our electrochemical transfer process allows the Pt to be reused with no measurable degradation. Additionally, we also demonstrate direct capping of carbon nanotubes (CNTs) with as-grown h-BN, but we find that the direct growth partly degrades the CNT electrical conductivity. On the other hand, we show that transferred monolayer h-BN can serve as an ultrathin barrier which protects MoS2 from damage at high temperatures and discuss other applications that take advantage of the conformal h-BN deposition.

2D materials↗
DOE OSTI2024

Trace anomaly form factors from lattice QCD

The hadron mass can be obtained through the calculation of the trace of the energy-momentum tensor in the hadron which includes the trace anomaly and sigma terms. The anomaly due to conformal symmetry breaking is believed to be an important ingredient for hadron mass generation and confinement. In this work, we will present the calculation of the glue part of the trace anomaly form factors of the pion up to Q 2 ∼ 4.3 GeV 2 and the nucleon up to Q 2 ∼ 1 GeV 2 . The calculations are performed on a domain wall fermion ensemble with overlap valence quarks at seven valence pion masses varying from ∼ 250 to ∼ 540 MeV , including the unitary point ∼ 340 MeV . We calculate the radius of the glue trace anomaly for the pion and the nucleon from the z expansion. By performing a two-dimensional Fourier transform on the glue trace anomaly form factors in the infinite momentum frame with no energy transfer, we also obtain their spatial distributions for several valence quark masses. The results are qualitatively extrapolated to the physical valence pion mass with systematic errors from the unphysical sea quark mass, discretization effects in the renormalization sum rule, and finite-volume effects to be addressed in the future. We find the pion’s form factor changes sign, as does its spatial distribution, for light quark masses. This explains how the trace anomaly contribution to the pion mass approaches zero toward the chiral limit. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Anisotropic Energy Transfer and Conversion in Magnetized Compressible Turbulence

We present a spatial filtering (or coarse-graining) analysis on 3D magnetized magnetohydrodynamic (MHD) turbulence simulations. The filtered compressible MHD formulae show transfer of kinetic and magnetic energies from large to small scales, as well as energy conversion between kinetic, magnetic, and thermal energies. The anisotropic filtering enables separate analyses of the energy flows perpendicular and parallel to the global mean magnetic field. Anisotropy in energy cascade is demonstrated by the larger perpendicular energy cascade rate and also the larger perpendicular wavenumbers associated with the peak energy transfer rate. We also find that the “inertial range” along the parallel (perpendicular) direction in the anisotropic energy cascade formulation is no longer strictly dissipation-free, because it includes the dissipation in the perpendicular (parallel) direction. A change in the driving force (kinetic only versus kinetic and magnetic) affects the energy conversion between kinetic and magnetic energies. While the compressibility of the driving force changes the partition of different channels of energy transfer and conversion, and also increases the total energy transfer rate, the global energy flow remains unaffected by compressibility qualitatively. Our analysis can be applied to multispacecraft observations of turbulence in the solar wind or a planetary magnetosphere.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Modeling of crystallization fouling on a horizontal-tube falling-film evaporator for thermal desalination

Scale formation within horizontal-tube falling-film evaporators is an important issue for thermal desalination, because of the deterioration of heat transfer performance and added maintenance costs. Predicting the fouling process is crucial for desalination plant design, operation, and maintenance. In this paper, a model is developed to predict the crystallization fouling process during seawater falling-film flow over a horizontal tube bundle. The scaling is estimated based on deposition theory, with couple heat transfer including the in-tube steam condensation, conduction through the tube wall and the scale layer, and falling-film evaporation. The spatial and temporal variations of temperature, heat transfer coefficient, and scale thickness are predicted, and the effects of variations in process parameters of steam, feed seawater, and tube properties on the scale thickness, evaporation rate, and heat transfer coefficient for falling-film evaporation are analyzed. Comparisons to existing experimental data show the scaling layer thickness falls in the general range of reported measurements, with a slight overestimation due to neglecting the delay of scaling onset under real conditions. The scale layer thickness increases dramatically as the in-tube steam pressure is increased or the seawater flow rate is decreased. In general, the scaling layer becomes thicker on the lower tubes in the tube bundle, due to the heat and mass transfer of the falling film. The effect of tube material on scaling appears mainly dependent on thermal conductivity; thus, using polymer rather than a stainless steel tube decreases scaling and evaporation rate 96% and 88%, respectively. Finally, this work has potential to guide thermal desalination plant design, material selection, and operating parameter optimization.

42 ENGINEERING↗
DOE OSTI2024

Binary pseudo-random array standards for calibration of 3D optical surface profilers used for metrology with significantly curved x-ray optics

High-accuracy metrology is vitally important in manufacturing ultra-high-quality free-form mirrors designed to manipulate X-ray light with nanometer-scale wavelengths. The current capabilities and possibility for improvements in X-ray mirror manufacturing are limited by inherent imperfections of the integrated metrology tools. In the case of Fizeau interferometry, metrology tools are currently calibrated with super-polished flat test-standard/reference mirrors. This is acceptable for measuring slightly curved X-ray optics. However, for even moderately curved aspherical X-ray mirrors the flat-reference calibration is not sufficiently accurate and stitching Fizeau interferometer-based surface metrology is used to mitigate the problem. But still, the retrace and aberration errors, as well as the limited spatial resolution, described with the instrument transfer function (ITF), can be transferred into the optical surface topography of X-ray mirrors obtained in stitching metrology. For ITF calibration, we have developed an original technique, based on test standards structured as two-dimensional (2D) highly-randomized (HR) binary pseudo-random arrays (BPRAs). The technique employs the unique properties of the HR BPRA patterns in the spatial frequency domain., i.e. the inherent 2D power spectral density of the HR BPRA pattern has a deterministic white-noise-like character that allows direct determination of the ITF with uniform sensitivity over the entire spatial frequency range and field-of-view of an instrument. Here, we explore technological, metrological, and analytical aspects essential for calibration of the retrace and aberration errors of Fizeau interferometers using different types of tilted test samples, including a super-polished reference mirror for the re-trace calibration and the uniformly redundant array (URA) BPRA standards for the geometrical distortion (aberration) calibration. While the first method was previously demonstrated by researchers at DIAMOND Light Source, a method based on the URA BPRA is described and demonstrated here for the first time. We outline the design and fabrication process used in fabrication of URA BPRA test standards, and present the results of application of the URA BPRA standards demonstrating the high efficacy of our approach to geometrical distortion calibration of Fizeau interferometers. We also discuss the possible sources of unexpected peculiarities of the systematic errors, including an astigmatic character of the retrace error, observed with Fizeau interferometers at the Advanced Light Source X-Ray Optics Laboratory.

Munechika, Keiko↗
DOE OSTI2024

Uncovering the truth about M101, NGC 3938, and their significant others through radiative transfer

ABSTRACT Solving the inverse problem in spiral galaxies, that allows the derivation of the spatial distribution of dust, gas, and stars, together with their associated physical properties, directly from panchromatic imaging observations, is one of the main goals of this work. To this end, we used radiative transfer models to decode the spatial and spectral distributions of the nearby face-on galaxies M101 and NGC 3938. In both cases, we provide excellent fits to the surface-brightness distributions derived from GALEX, SDSS, 2MASS, Spitzer, and Herschel imaging observations. Together with previous results from M33, NGC 628, M51, and the Milky Way, we obtain a small statistical sample of modelled nearby galaxies that we analyse in this work. We find that in all cases Milky Way-type dust with Draine-like optical properties provide consistent and successful solutions. We do not find any ‘submm excess’, and no need for modified dust-grain properties. Intrinsic fundamental quantities like star-formation rates (SFR), specific SFR (sSFR), dust opacities, and attenuations are derived as a function of position in the galaxy and overall trends are discussed. In the SFR surface density versus stellar mass surface density space, we find a structurally resolved relation (SRR) for the morphological components of our galaxies, that is steeper than the main sequence (MS). Exception to this is for NGC 628, where the SRR is parallel to the MS.

Pricopi, D.↗
DOE OSTI2025

Hierarchical domain structures in buckled ferroelectric free sheets

Flat elastic sheets tend to display wrinkles and folds. From pieces of clothing down to two-dimensional crystals, these corrugations appear in response to strain generated by sheet compression or stretching, thermal or mechanical mismatch with other elastic layers, or surface tension. Extensively studied in metals, polymers and, — more recently — in van der Waals exfoliated layers, with the advent of thin single crystal freestanding films of complex oxides, researchers are now paying attention to novel microstructural effects induced by bending ferroelectric-ferroelastics, where polarization is strongly coupled to lattice deformation. Here we show that wrinkle undulations in BaTiO3 sheets bonded to a viscoelastic substrate transform into a buckle delamination geometry when transferred onto a rigid substrate. Using spatially resolved techniques at different scales (Raman, scanning probe and electron microscopy), we show how these delaminations in the free BaTiO3 sheets display a self-organization of ferroelastic domains along the buckle profile that strongly differs from the more studied sinusoidal wrinkle geometry. Moreover, we disclose the hierarchical distribution of a secondary set of domains induced by the misalignment of these folding structures from the preferred in-plane crystallographic orientations. Our results disclose the relevance of the morphology and orientation of buckling instabilities in ferroelectric free sheets, for the stabilization of different domain structures, pointing to new routes for domain engineering of ferroelectrics in flexible oxide sheets.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tunable Localized Charge Transfer Excitons in Nanoplatelet–2D Chalcogenide van der Waals Heterostructures

Observation of interlayer, charge transfer (CT) excitons in van der Waals heterostructures (vdWHs) based on 2D–2D systems has been well investigated. While conceptually interesting, these charge transfer excitons are highly delocalized and spatially localizing them requires twisting layers at very specific angles. This issue of localizing the CT excitons can be overcome via making nanoplate–2D material heterostructures (N2DHs) where one of the components is a spatially quantum confined medium. Here, we demonstrate the formation of CT excitons in a mixed dimensional system comprising MoSe 2 and WSe 2 monolayers and CdSe/CdS-based core/shell nanoplates (NPLs). Spectral signatures of CT excitons in our N2DHs were resolved locally at the 2D/single-NPL heterointerface using tip-enhanced photoluminescence (TEPL) at room temperature. By varying both the 2D material and the shell thickness of the NPLs and applying an out-of-plane electric field, the exciton resonance energy was tuned by up to 100 meV. Finally, our finding is a significant step toward the realization of highly tunable N2DH-based next-generation photonic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗