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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Elastic Lattice Enabling Reversible Tetrahedral Li Storage Sites in a High-Capacity Manganese Oxide Cathode

The key to breaking through the capacity limitation imposed by intercalation chemistry lies in the ability to harness more active sites that can reversibly accommodate more ions (e.g., Li + ) and electrons within a finite space. However, excessive Li-ion insertion into the Li layer of layered cathodes results in fast performance decay due to the huge lattice change and irreversible phase transformation. Here, in this study, an ultrahigh reversible capacity is demonstrated by a layered oxide cathode purely based on manganese. Through a wealth of characterizations, it is clarified that the presence of low-content Li 2 MnO 3 domains not only reduces the amount of irreversible O loss; but also regulates Mn migration in LiMnO 2 domains, enabling elastic lattice with high reversibility for tetrahedral sites Li-ion storage in Li layers. This work utilizes bulk cation disorder to create stable Li-ion-storage tetrahedral sites and an elastic lattice for layered materials, with a reversible capacity of 600 mA h g –1 , demonstrated in th range 0.6–4.9 V versus Li/Li + at 10 mA g –1 . Admittedly, discharging to 0.6 V might be too low for practical use, but this exploration is still of great importance as it conceptually demonstrates the limit of Li-ions insertion into layered oxide materials.

25 ENERGY STORAGE↗
DOE OSTI2022

Machine-learning enabled thermodynamic model for the design of new rare-earth compounds

We employ a descriptor based machine-learning approach to assess the effect of chemical alloying on formation-enthalpy of rare-earth intermetallics. Application of machine-learning approaches in rare-earth intermetallic design have been sparse due to limited availability of reliable datasets. In this work, we developed an ‘in-house’ rare-earth database with more than 600 + compounds, each entry was populated with formation enthalpy and related atomic features using high-throughput density-functional theory (DFT). The SISSO (sure independence screening and sparsifying operator) based machine-learning method with meaningful atomic features was used for training and testing the formation enthalpies of rare earth compounds. The complex lattice function coupled with the machine-learning model was used to explore the effect of transition metal alloying on the energy stability of Ce based cubic Laves phases (MgCu 2 type). The SISSO predictions show good agreement with high-fidelity DFT calculations and X-ray powder diffraction measurements. Our study provides quantitative guidance for compositional considerations within a machine-learning model and discovering new metastable materials. The electronic-structure of Ce-Fe-Cu based compound was also analyzed to get an in-depth understanding of the electronic origin of phase stability. The interpretable analytical models in combination with density-functional theory and experiments provide a fast and reliable design guide for discovering technologically useful materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Carbon nanospike coated nanoelectrodes for measurements of neurotransmitters

Here, carbon nanoelectrodes enable the detection of neurotransmitters at the level of single cells, vesicles, synapses and small brain structures. Previously, the etching of carbon fibers and 3D printing based on direct laser writing have been used to fabricate carbon nanoelectrodes, but these methods lack the ability of mass manufacturing. In this paper, we mass fabricate carbon nanoelectrodes by growing carbon nanospikes (CNSs) on metal wires. CNSs have a short, dense and defect-rich surface that produces remarkable electrochemical properties, and they can be mass fabricated on almost any substrate without using catalysts. Tungsten wires and niobium wires were electrochemically etched in batch to form sub micrometer sized tips, and a layer of CNSs was grown on the metal wires using plasma-enhanced chemical vapor deposition (PE-CVD). The thickness of the CNS layer was controlled by the deposition time, and a thin layer of CNSs can effectively cover the entire metal surface while maintaining the tip size within the sub micrometer scale. The etched tungsten wires produced tapered conical nanotips, while the etched niobium wires were long and thin. Both showed excellent sensitivity for the detection of outer sphere ruthenium hexamine and the inner sphere test compound ferricyanide. The CNS nanosensors were used for the measurement of dopamine, serotonin, ascorbic acid and DOPAC with fast-scan cyclic voltammetry. The CNS nanoelectrodes had a large surface area and numerous defect sites, which improved the sensitivity, electron transfer kinetics and adsorption. Finally, the CNS nanoelectrodes were compared with other nanoelectrode fabrication methods, including flame etching, 3D printing, and nanopipettes, which are slower to make and more difficult for mass fabrication. Thus, CNS nanoelectrodes are a promising strategy for the mass fabrication of nanoelectrode sensors for neurotransmitters.

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

Uniaxial compressive creep tests by spark plasma sintering of 70% theoretical density α -uranium and U-10Zr

Metallic fuels hold numerous advantages over conventional uranium dioxide fuels and are a key component of several liquid metal-cooled advanced reactor concepts including sodium fast reactors. These fuels undergo rapid swelling during early burnup; consequently, they spend most of their reactor lifetime in a porous state. The presence of this porosity alters many of the mechanical properties of the fuel including creep impacting fuel deformation during axial swelling. This work investigates the creep behavior of the porous fuel using a spark plasma sintering technique. Creep tests were performed for the first time on porous α-phase uranium and uranium with 10 wt. % zirconium (U-10Zr) samples. The samples of α-phase uranium and U-10Zr were fabricated from depleted uranium by spark plasma sintering and subjected to uniaxial compressive creep testing. Calculated stress exponents were found to be 2.6±1.6 and 5.7±1.4 for α-U and U-10Zr, respectively, and calculated activation energies were found to be 61.6±1.1kJ/mol for α-U. The creep data were also used to evaluate existing porosity inclusive in creep models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Drift kinetic electrostatic simulations of the edge localized mode heat pulse

In the present work, electrostatic drift kinetic simulations of parallel plasma transport within the tokamak scrape-off layer (SOL) are conducted using the COGENT code. The SOL configuration is represented in one-dimensional slab geometry, incorporating a heat source localized in the midplane. The heat source parameters correspond to those characterizing edge-localized modes observed in the Joint European Torus (JET) tokamak. The numerical model includes kinetic treatment of both ions and electrons, a simplified model for the gyrokinetic Poisson equation that allows one to step over short time scales associated with fast electrostatic shear Alfvèn waves, and the logical sheath boundary condition (LSBC) that enforces global system quasineutrality. A third-order accurate LSBC is derived to be consistent with the third-order accurate upwind advection scheme utilized in the code, and it was shown to noticeably impact the simulation results, especially parallel heat flux at the target plate. The findings of this study are in agreement with results from preceding fluid and kinetic simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Space-Charge and Other Effects in Fermilab Booster and IOTA Rings’ Ionization Profile Monitors

Ionization profile monitors (IPMs) are widely used in accelerators for non-destructive and fast diagnostics of high energy particle beams. At low beam intensities, initial velocities of the secondaries to collect (ions or electrons) result in the IPM profile smearing. At high beam intensities, the space-charge forces make the measured IPM profiles significantly different from those of the beams. We analyze dynamics of the secondaries in IPMs, describe an effective algorithm to reconstruct the beam sizes from the measured IPM profiles and apply it to the Fermilab 8 GeV proton Booster and 70 MeV/c IOTA ring IPMs.

Shiltsev, Vladimir D.↗
DOE OSTI2021

Photoinjector Generation of High-Charge Magnetized Beams for Electron-Cooling Applications

The recently announced Electron-Ion Collider (EIC), to be built at Brookhaven National Laboratory, will collide high-energy ion-beams and electron beams to pursue nuclear physics research on quark-gluon plasma's. The facility performances (luminosity) would be improved if the ion-beam emittance degradation is mitigated via a phase-space-cooling technique. One potential cooling method uses a bright electron beam to cool the ion beams. The cooling rate for this electron-cooling method depends on the transverse emittance of the cooling electron beam and could benefit from using a beam with significant canonical angular momentum dubbed as a magnetized beam. This research focuses on simulation and experimental generation and characterization of high charge magnetized electron beams with parameters comparable to those required for electron cooling at an electron-ion collider. The experiment uses the 50-MeV photo-injector available at the Fermilab Accelerator Science and Technology (FAST) Facility. The measurements are benchmarked against simulations.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Refined interpretation of electron temperature response to neutral beam injection at DIII-D

Accurate particle and power deposition profiles of neutral beam injection (NBI) are essential to transport studies, and that information is usually acquired through Monte Carlo simulations with a given collisional model. The deposition process of the energetic beam particles leads to the informative electron temperature (T e ) evolution trajectory, which can be captured by electron cyclotron emission (ECE) system due to its good spatial and temporal resolution. Previously, some work has been done to interpret the T e responses to the pulsed NBI as a linear heating source with Fourier-based techniques, although that approach fell short when the fast ion slowing-down time becomes significant (~100 ms). It has been observed in DIII-D that the modulated NBI pulses (10–50 Hz) reduce local core T e values ~0.1 keV through cold electron dilution in high-T e (>2 keV) plasmas alongside accumulative heating. Here, a novel approach to interpret the T e response to NBI was developed by linearizing and modeling the detailed T e evolution trajectory using coherently averaged ECE data based on the different time scales of the terms in the local power and particle balance equations. The technique does not require absolute calibrations of ECE and is independent of collisional models. The resulting beam deposition profiles show good consistency and reasonable agreement with Monte Carlo calculations based on the atomic data from the Atomic Data and Analysis Structure (ADAS). Local electron density response measured by Thomson scattering (TS) also suggests the same features when the beam pulse is large enough for that diagnostic to resolve. The remaining discrepancies are also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

A 1kV, 480V Power Electronics Hub for DER Integration in Commercial Buildings

Power electronic (PE) systems are increasingly being integrated into distribution and sub-distribution networks in support of distributed energy resource integration (DERs), electric vehicle (EV) charging (particularly in the case of fast charging infrastructure), and improvement in power quality for high performance computing and/or servers farms. This provides an opportunity to research and develop integrated PE systems that can function as single systems thereby bringing additional functionality and benefits to the overall system. The goal of this paper is to demonstrate foundational technologies and capabilities for a multiport power electronics energy hub that can intelligently coordinate and control integrated sources and loads. The focus for this digest is on a commercial building use case which is demonstrated in hardware.

Starke, Michael↗
DOE OSTI2023

Hardware Implementation and Market Impacts of Grid-Supportive Functions in End-Use Loads

Grid-supportive loads (GSLs) are power electronics-based end-use loads that can provide frequency response and other grid services by autonomously adjusting their output power using local grid measurements. This report provides details on GSL hardware design options and their associated costs and benefits for multiple devices, including EV chargers, refrigerators, and heat pumps. We consider mechanisms to incentivize adoption of GSLs at scale and estimate the quantity of frequency response that can be procured with GSLs.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Machine Learning of In-situ Temperature Reconstruction from Metal-nanoparticle Thermometry on Transmission Electron Microscopy

Utilizing Python programming language and third-party libraries, 2D temperature fields were reconstructed from TEM images demonstratively and a GUI was created. Local temperatures can be fast read on TEM at the nanoscale based on the nanoparticle thermometry. The Artificial Intelligence technique would speed up the in-situ heating TEM research and make real-time in-situ temperature monitoring possible at nanoscale.

42 ENGINEERING↗
DOE OSTI2022

X-ray pulse generation with ultra-fast flipping of its orbital angular momentum

A method to temporally tailor the properties of X-ray radiation carrying Orbital Angular Momentum (OAM) is presented. In simulations, an electron beam is prepared with a temporally modulated micro-bunching structure which, when radiating at the second harmonic in a helical undulator, generates OAM light with a corresponding temporally modulated intensity. This method is shown to generate attosecond pulse trains of OAM light without the need for any additional external optics, making the wavelength range tunable. In addition to the OAM pulse train, the method can be adapted to generate radiation where the handedness of the OAM mode may also be temporally modulated (flipped).

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Alfven eigenmodes and fast ion transport in negative triangularity DIII-D plasmas

The first energetic particle experiments in negative triangularity tokamak plasmas have been carried out on DIII-D. Alfvén eigenmode (AE) activity and associated fast ion transport comparable to that in positive triangularity is observed during the current ramp portion of all plasmas with early beam heating indicating negative triangularity does not confer a special advantage with respect to AE induced transport. In these discharges, a range of mode activity driven by the sub-Alfvénic (Vbeam/VA < 0.5) 80 kV neutral beams is found including beta induced Alfvén acoustic eigenmodes, beta induced Alfvén eigenmodes, reversed shear Alfvén eigenmodes (RSAEs) and toroidicity induced Alfvén eigenmodes (TAEs). Mode intermittency and possibly chirping appears to be more common than comparable positive triangularity and/or oval discharges but overall, the unstable spectra and mode amplitudes observed on magnetics, CO2 interferometry, and electron cyclotron emission in a set of matched positive and negative triangularity cases at moderate beam power is similar. Large levels of Alfvén eigenmode induced fast ion transport are found in both positive and negative triangularity with up to 70% central fast ion pressure deficits relative to classical predictions early during the current ramp phase for discharges with 3 MW injected 80 kV neutral beam power. The deficit in both cases is reduced toward zero as the current penetrates and eventually reaches classical levels during current flattop with qmin ≈ 1. Fast ion transport in negative triangularity plasmas measured using a beam modulation technique show very similar levels to those measured in oval plasmas over the range of tested beam powers (Pbeam ≈ 2–7 MW). This similarity is found despite quite different unstable spectra in the highest beam power case where a mixture of coherent and quasi-coherent modes in the TAE frequency range are observed in negative triangularity and a spectrum of more typical narrowband TAEs and RSAEs is observed for the oval plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Fast Neutron Irradiation of a Multichannel JFET-Based Optical Encoder

Modern electrical components are susceptible to damage from high levels of radiation and extreme temperatures found near reactors in terrestrial nuclear power plants and in aerospace applications. Radiation-hardened electronics are being developed, largely for the aerospace industry, but they sometimes rely on application-specific, small-batch semiconductor fabrication processes. These processes tend to be prohibitively expensive to develop and maintain outside major industrial facilities or governmental agencies. Recently, commercially available, nonradiation-rated junction-gate field-effect transistors (JFETs) were shown to maintain their functionality at gamma doses exceeding 1 MGy, suggesting that nonrated, commercially available electrical components could be used to develop systems that are tolerant to ionizing radiation. However, gamma ray survival is not indicative of neutron dose survival, and few studies characterize JFETs under neutron irradiation. To address this knowledge gap, a JFET-based analog multiplexer and optical pulsewidth modulation (PWM) encoder was developed and irradiated using a 252 Cf source to 1.6×10 13 n/cm 2 . The multiplexed optical encoder (MOE) system maintained functionality throughout testing and showed little evidence of radiation effects. These results indicate that circuitry tolerant to fast neutron damage can be developed using low-cost, nonradiation-rated, commercially available JFETs, which could provide a lower production cost alternative to specialized semiconductor processes when designing and building electronics better able to survive neutron irradiation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Chemo-Mechanically Driven In Situ Hierarchical Structure Formation in Mixed Conductors (Final Technical Report)

This document is the Final Technical Report for the Early Career project DE-SC0018963. Essential materials for energy technologies tend to exhibit “hierarchical” functions – they perform multiple, inter-related tasks at different locations, across disparate length and time scales. To best support this heterogeneous function, there is a fundamental need to understand and direct formation of corresponding tailored hierarchical architectures. In particular, a wide variety of applications, from energy conversion and storage to sensing and gas separation, rely on oxide mixed ionic and electronic conductors (MIECs). These critical ceramic materials catalyze reactions at their surfaces and selectively transport both ionic and electronic species in the bulk. Ideally, MIECs should adopt hierarchical structures with 1) high surface areas, 2) surface compositions exhibiting high catalytic activity, and 3) microstructural connectivity in the direction needed for fast mass and charge transport. In practice, however, MIECs.

08 HYDROGEN↗
DOE OSTI2024

Solution of the Schrödinger equation for quasi-one-dimensional materials using helical waves

We formulate and implement a spectral method for solving the Schrödinger equation, as it applies to quasi-one-dimensional materials and structures. This allows for computation of the electronic structure of important technological materials such as nanotubes (of arbitrary chirality), nanowires, nanoribbons, chiral nanoassemblies, nanosprings and nanocoils, in an accurate, efficient and systematic manner. Our work is motivated by the observation that one of the most successful methods for carrying out electronic structure calculations of bulk/crystalline systems — the plane-wave method — is a spectral method based on eigenfunction expansion. Our scheme avoids computationally onerous approximations involving periodic supercells often employed in conventional plane-wave calculations of quasi-one-dimensional materials, and also overcomes several limitations of other discretization strategies, e.g., those based on finite differences and atomic orbitals. The basis functions in our method — called helical waves (or twisted waves) — are eigenfunctions of the Laplacian with symmetry adapted boundary conditions, and are expressible in terms of plane waves and Bessel functions in helical coordinates. We describe the setup of fast transforms to carry out discretization of the governing equations using our basis set, and the use of matrix-free iterative diagonalization to obtain the electronic eigenstates. Miscellaneous computational details, including the choice of eigensolvers, use of a preconditioning scheme, evaluation of oscillatory radial integrals and the imposition of a kinetic energy cutoff are discussed. We have implemented these strategies into a computational package called HelicES (Helical Electronic Structure). We demonstrate the utility of our method in carrying out systematic electronic structure calculations of various quasi-one-dimensional materials through numerous examples involving nanotubes, nanoribbons and nanowires. We also explore the convergence properties of our method, and assess its accuracy and computational efficiency by comparison against reference finite difference, transfer matrix method and plane-wave results. We anticipate that our method will find applications in computational nanomechanics and multiscale modeling, for carrying out transport calculations of interest to the field of semiconductor devices, and for the discovery of novel chiral phases of matter that are of relevance to the burgeoning quantum hardware industry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Transmission electron microscopy characterization of the fuel-cladding chemical interactions in HT9 cladded U-10Zr fuel

Fuel cladding chemical interaction (FCCI) is a key phenomenon needs to be better understood to establish the design basis for U-10Zr metallic fuel performance. Characterizing the microstructure and chemical composition of FCCI at micron and sub-micron scale is critically important toward a more mechanistic understanding of FCCI phenomenon and its potential effects on cladding integrity and metallic fuel performance. This paper, by using transmission electron microscopy, investigated the FCCI region in HT9 cladded U-10Zr fuel irradiated to 5.7% FIMA burnup at a peak inner cladding temperature of 615 °C in Fast Flux Test Facility (FFTF). Four distinct layers are identified in the FCCI region. The migration of Fe into the fuel side leads to the formation of several U-Zr-Fe ternary phases, including ?-Fe0.5Zr0.32U0.18, e-Fe0.3Zr0.4U0.3, and ?-Fe0.06Zr0.23U0.71, mingled with UFe2, U6Fe, and U phase at various Fe penetration depth up to ~ 150 µm. On the cladding side, grain coarsening and significant lanthanides infiltration along grain boundaries are observed. Laves phase, (Fe,Cr)2(Mo,W), which typically does not exist in fresh HT9, is identified in a wide radial range in the cladding. The typical HT9 martensitic lath structure and pre-existing M23C6 precipitates disappear, partially or completely, depending on the radial distance from the fuel-cladding interface. Those microstructural and compositional changes could cause mechanical degradation in the HT9 cladding. The present characterization results will improve the understanding of FCCI phenomenon and facilitate the development of microstructure-informed FCCI modeling for metallic fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗