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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Velocity-space distribution function of fast ions in a sawtoothing plasma

This study explores the influence of sawtooth oscillations on the velocity space distribution of fast ions in tokamak plasma discharges. The relevant Fokker–Planck equation for fast ions is solved analytically. Two distinct effects arising from the temperature drop associated with a sawtooth crash and their impact on the distribution function of fast ions are considered. The first effect involves the modulation of the fusion alpha particle source on the timescale of the sawtooth period, linked to the drop in fusion yield resulting from the sawtooth temperature relaxations. The second effect is tied to the increase of the slowing-down time during the sawtooth ramp, causing particles born later in the sawtooth cycle to experience reduced slowing down compared to those born right after the crash, creating an accumulation-like mechanism at higher energies. In regimes where the sawtooth period is shorter than the fast ion slowing-down time, the combined influence of these effects gives rise to fast ion distribution functions that transiently exhibit positive slopes in velocity space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Humins-Derived Hard Carbon as a Low-Cost Material for Sodium-Ion Battery Anodes

The growing demand for sodium-ion batteries (SIBs) in grid storage underscores the need for electrode materials that balance performance and cost, including sustainable and robust carbon sources. The equitable and abundant distribution of materials for SIBs, along with their superior low-temperature performance, safety, and fast-charging capability, further distinguishes them from lithium-ion batteries (LIBs). Hard carbon (HC) is the state-of-the-art anode for SIBs, but current commercial HC production is localized mostly to one region of the world, raising concerns about supply chain vulnerability, critical material dependency, and environmental aspects. Here, the first demonstration of humins, an abundant biorefinery byproduct, as a precursor for HC anodes for sodium-ion storage is reported. Humins were carbonized at 1100 degrees C-1300 degrees C, and the resulting materials were subjected to comprehensive materials and electrochemical characterization. Among the temperatures studied, humins-derived hard carbon synthesized at 1200 degrees C delivers an initial reversible capacity 270mA h g-1 , with stable cycling performance up to 500 cycles and excellent rate capability, representing the optimal performance. This study establishes humins as a promising and low-cost carbon source that provides a route to mitigate supply chain risks and valorizes an underutilized biorefinery waste stream for high-performance SIB anodes.

25 ENERGY STORAGE↗
DOE OSTI2023

Parallel transport modeling of linear divertor simulators with fundamental ion cyclotron heating *

Abstract The Material Plasma Exposure eXperiment (MPEX) is a steady state linear device with the goal to perform plasma material interaction studies at future fusion reactor relevant conditions. A prototype of MPEX referred as ‘Proto-MPEX’ is designed to carry out research and development related to source, heating and transport concepts on the planned full MPEX device. The auxiliary heating schemes in MPEX are based on cyclotron resonance heating with radio frequency (RF) waves. Ion cyclotron heating (ICH) and electron cyclotron heating in MPEX are used to independently heat the ions and electrons and provide fusion divertor conditions ranging from sheath-limited to fully detached divertor regimes at a material target. A hybrid particle-in-cell code- PICOS++ is developed and applied to understand the plasma parallel transport during ICH in MPEX/Proto-MPEX to the target. With this tool, evolution of the distribution function of MPEX/Proto-MPEX ions is modeled in the presence of (a) Coulomb collisions, (b) volumetric particle sources and (c) quasi-linear RF-based ICH. The code is benchmarked against experimental data from Proto-MPEX and simulation data from B2.5 EIRENE. The experimental observation of ‘density-drop’ near the target in Proto-MPEX and MPEX during ICH is demonstrated and explained via physics-based arguments using PICOS++ modeling. In fact, the density drops at the target during ICH in Proto-MPEX/MPEX to conserve the flux and to compensate for the increased flow during ICH. Furthermore, sensitivity scans of various plasma parameters with respect to ICH power are performed for MPEX to investigate its role on plasma transport and particle and energy fluxes at the target.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

X-ray fluorescence and XANES spectroscopy revealed diverse potassium chemistries and colocalization with phosphorus in the ectomycorrhizal fungus Paxillus ammoniavirescens

Ectomycorrhizal (ECM) fungi play a major role in forest ecosystems and managed tree plantations. Particularly, they facilitate mineral weathering and nutrient transfer towards colonized roots. Among nutrients provided by these fungi, potassium (K) has been understudied compared to phosphorus (P) or nitrogen (N). The ECM fungus Paxillus ammoniavirescens is a generalist species that interacts with the root of many trees and can directly transfer K to them, including loblolly pine. However, the forms of K that ECM fungi can store is still unknown. Here, we used synchrotron potassium X-ray fluorescence (XRF) and K-edge X-ray Absorption Near Edge Structure (XANES) spectroscopy on P. ammoniavirescens growing in axenic conditions to investigate the K chemistries accumulating in the center and the edge of the mycelium. We observed that various K forms accumulated in different part of the mycelium, including K-nitrate (KNO 3 ), K-C-O compounds (such as K-tartrate K 2 (C 4 H 4 O 6 ) and K-oxalate (K 2 C 2 O 4 )), K-S and K-P compounds. Saprotrophic fungi have been shown to excrete carboxylic acids, which in turn play a role in soil mineral weathering. Our finding of several K counter-ions to carboxylic acids may suggest that, besides their direct transfer to colonized roots, K ions can also be involved in the production of compounds necessary for sourcing nutrients from their surrounding environment by ECM fungi. Additionally, this work reveals that XANES spectroscopy can be used to identify the various forms of K accumulating in biological systems.

Ectomycorrhizal symbiosis↗
DOE OSTI2023

Cathode regeneration and upcycling of spent LIBs: toward sustainability

‘Green ambition towards sustainability’ is one of the hot research topics of the 21st century. With the sharp steering of the energy infrastructure toward fulfilling this radical expectation, the last decade has seen a global trend toward diversified sustainable renewable energy sources (such as solar, wind, and hydroelectric power) and electrification. Lithium-ion batteries (LIBs) are playing a significant role in this energy revolution. However, with the massive scale of the production of LIBs and their eventual retirement, attention has been turned to the erratic supply of raw materials used to manufacture these batteries and their disposal. Cathode regeneration technology is likely to be an optimal solution for the disposal of waste cathodes, aimed at non-destructively repairing and straightforwardly reusing degraded cathode materials for re-manufacturing LIBs with a shortened circular process, reasonable profits, and excellent efficiency. Additionally, cathode upcycling technology, aimed at upgrading the electrochemical performance of degraded materials, can be well adapted to the upgrading of battery chemistry and show excellent flexibility and potential for transforming the LIB industry from a resource-based to a circular economy. Thus, a holistic perspective based on the complete life cycle of LIBs is encouraged, and sustainability must be at the forefront regarding battery and pack design, raw material acquisition, materials synthesis, manufacturing, operating, retiring, and recycling processes of LIBs.

25 ENERGY STORAGE↗
DOE OSTI2021

Continuous-wave planar laser induced fluorescence with a fast camera

We present planar, laser induced fluorescence (PLIF) measurements of the velocity-resolved distribution function of ions in a plasma using a modulated, narrow linewidth, continuous-wave laser. Plasma emission is acquired with a high frame rate camera, and the laser light is spread into a thin sheet so that an entire plane of the plasma is imaged at each interrogation wavelength. Fourier analysis is conducted on each pixel of the images to separate the modulated fluorescent emission from the background light. Argon ion temperatures and bulk flow maps are reported in a helicon plasma source, and standard single-point LIF measurements provide validation of the PLIF measurement.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Fusion burn-propagation simulations using the collisional and radiative particle-in-cell code TRIFORCE

The ability to accurately model burn propagation in inertial confinement fusion plasmas is crucial for advancing fusion energy research. This work presents enhancements to the triforce hybrid fluid-kinetic multiphysics code, focusing on its kinetic half, which employs the particle-in-cell (PIC) method with Monte Carlo collisions (MCC). We use a moment-preserving collision model that mitigates numerical noise, particularly in spherical geometries where particle weights vary significantly. Additionally, we refine the treatment of inverse bremsstrahlung to account for electron–ion collision frequency reductions in degenerate plasmas and incorporate a blackbody radiation source to enable realistic photon injection. These improvements enable the simulation of 1-dimensional (1D) spherical fusion burn propagation in deuterium–tritium plasmas. Benchmark comparisons with the hydra radiation-hydrodynamics code confirm that triforce accurately captures the dynamics of hot-spot expansion and burn propagation, demonstrating sensitivity to ignition thresholds consistent with theoretical models. Findings show the ignition cliff to be less steep in our work compared to radiation-hydrodynamic modeling. These results highlight the role of kinetic effects in fusion ignition physics and underscore the necessity of hybrid fluid-kinetic models for advancing predictive capabilities in high-energy-density plasma systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Elucidating the atomistic origin of anharmonicity in tetragonal CH3NH3PbI3 with Raman scattering

Halide perovskite (HP) semiconductors exhibit unique strong coupling between the electronic and structural dynamics. In this work, we use Raman polarization-orientation (PO) measurements and ab initio molecular dynamics (AIMD) to investigate the origin and temperature evolution of the strong structural anharmonicity throughout the tetragonal phase of CH 3 NH 3 PbI 3 . Raman PO measurements reveal a soft modelike spectral feature. This mode shows an unusual continuous increase in damping with temperature which is indicative of an anharmonic potential surface. The analysis of AIMD trajectories identifies two major sources of anharmonicity: the orientational unlocking of the [CH 3 NH 3 ] + ions and large-amplitude octahedral tilting that continuously increases with temperature. Our work suggests that the standard phonon picture cannot describe the structural dynamics of tetragonal CH 3 NH 3 PbI 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2021

A pathogenic role for histone H3 copper reductase activity in a yeast model of Friedreich’s ataxia

Disruptions to iron-sulfur (Fe-S) clusters, essential cofactors for a broad range of proteins, cause widespread cellular defects resulting in human disease. A source of damage to Fe-S clusters is cuprous (Cu 1+ ) ions. Since histone H3 enzymatically produces Cu 1+ for copper-dependent functions, we asked whether this activity could become detrimental to Fe-S clusters. Here, we report that histone H3–mediated Cu 1+ toxicity is a major determinant of cellular functional pool of Fe-S clusters. Inadequate Fe-S cluster supply, due to diminished assembly as occurs in Friedreich’s ataxia or defective distribution, causes severe metabolic and growth defects in Saccharomyces cerevisiae. Decreasing Cu 1+ abundance, through attenuation of histone cupric reductase activity or depletion of total cellular copper, restored Fe-S cluster–dependent metabolism and growth. Our findings reveal an interplay between chromatin and mitochondria in Fe-S cluster homeostasis and a potential pathogenic role for histone enzyme activity and Cu 1+ in diseases with Fe-S cluster dysfunction.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

JSPEC: A Program for IBS and Electron Cooling Simulation

Intrabeam scattering is an important collective effect that can deteriorate the properties of a high-intensity beam, and electron cooling is a method to mitigate the IBS effect. JSPEC (JLab Simulation Package for Electron Cooling) is an open-source program developed at Jefferson Lab, which simulates the evolution of the ion beam under the IBS and/or the electron cooling effect. JSPEC has been benchmarked with BETACOOL and experimental data. In this report, we will introduce the features of JSPEC, including the friction force calculation, the IBS expansion rate and electron cooling rate calculation, and the beam-dynamic simulations for the electron cooling process; explain how to set up the simulations in JSPEC; and demonstrate the benchmarking results.

Zhang, He↗
DOE OSTI2022

Jets in Evolving Matter within the Opacity Expansion Approach

In a recent study [1] we have extended the opacity expansion approach to describe jet-medium interactions including medium motion effects in the context of heavy-ion collisions. We have computed color field of the in-medium sources, including the effects of the transverse field components and the energy transfer between the medium and jet. The corresponding contributions are sub-eikonal in nature, and were previously ignored in the literature. Here we discuss how our approach can be applied to describe the medium motion effects in the context of Deep Inelastic Scattering.

Sadofyev, Andrey↗
DOE OSTI2020

In-situ spectroscopic ellipsometry for real-time characterization of the effects of high-flux helium plasmas on tungsten surfaces

Tungsten samples were exposed to He plasmas generated by an RF source (Γ i = 3.5 x 10 16 He cm -2 s -1 , ion energy = 92 eV.) The range of exposure conditions selected here is conducive to the growth of nearsurface He bubbles, and at higher fluence, the formation of W nanotendrils ranging between 50 — 100 nm in diameter. The evolution of these surface features was probed using a fixed-angle ellipsometer (280 — 1000 nm wavelength range) with direct line-of-sight to the sample. Over the parameter space explored here, changes in the two angles (p, S) that define the polarization of the reflected light followed a distinct trajectory with increasing plasma fluence. Ex-situ ellipsometry of 22 additional tungsten specimens tested at a wide range of plasma fluences and temperatures mapped onto these in-situ results well. We used helium ion microscopy and focused ion beam profiling to provide a direct calibration of the ellipsometry measurements. Our results indicate that for a reproducible process such as the growth helium-induced surface morphologies, ellipsometry is a practical in-situ diagnostic to study how fusion plasmas modify materials. To study more general effects of plasmas on surfaces, including co-deposition and sputtering, different approaches to modelling the optical properties of the exposed surfaces are also considered.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Protein Motifs for Proton Transfers That Build the Transmembrane Proton Gradient

Biological membranes are barriers to polar molecules, so membrane embedded proteins control the transfers between cellular compartments. Protein controlled transport moves substrates and activates cellular signaling cascades. In addition, the electrochemical gradient across mitochondrial, bacterial and chloroplast membranes, is a key source of stored cellular energy. This is generated by electron, proton and ion transfers through proteins. The gradient is used to fuel ATP synthesis and to drive active transport. Here the mechanisms by which protons move into the buried active sites of Photosystem II (PSII), bacterial RCs (bRCs) and through the proton pumps, Bacteriorhodopsin (bR), Complex I and Cytochrome c oxidase (CcO), are reviewed. These proteins all use water filled proton transfer paths. The proton pumps, that move protons uphill from low to high concentration compartments, also utilize Proton Loading Sites (PLS), that transiently load and unload protons and gates, which block backflow of protons. PLS and gates should be synchronized so PLS proton affinity is high when the gate opens to the side with few protons and low when the path is open to the high concentration side. Proton transfer paths in the proteins we describe have different design features. Linear paths are seen with a unique entry and exit and a relatively straight path between them. Alternatively, paths can be complex with a tangle of possible routes. Likewise, PLS can be a single residue that changes protonation state or a cluster of residues with multiple charge and tautomer states.

cytochrome c oxidase↗
DOE OSTI2024

Discrete-Element and Material-Point Method (DEM and MPM) Based Solvers for Sustainable Technologies

We present the use of discrete element method (DEM) and material point method (MPM) in three relevant green technology applications that include biomass feedstock handling, lithium-ion battery manufacturing, and high-pressure reverse osmosis. Our open-source DEM and MPM solvers are developed using performance portable grid and particle management library, AMReX, thus enabling superior performance on NVIDIA and AMD GPUs with > 100 million particles. Our DEM solver resolves the motion of individual particles in a granular system and includes a bonded sphere method for modeling non-spherical particles along with Hertzian and liquid bridge-based contact models. We simulate highly variable biomass feedstock flows in large-scale hoppers for biofuel production and electrode calendering in battery manufacturing using DEM. Our simulations predict flow blockage in large scale biomass hoppers and electrode microstructure variations, thus providing valuable information for biofuel and battery manufacturers, respectively. The second half of the talk will be on MPM and its application towards pore resolved simulations of reverse osmosis membranes under compressive loads. We present a validation study of our MPM simulations with membrane microscopy imaging thus providing useful insights on membrane stability under high pressure conditions. We also present a spectral stability analysis of using linear hat, quadratic and cubic spline basis in MPM indicating regions of numerical stability.

BIOMASS FUELS,MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Particlization in fluid dynamical simulations of heavy-ion collisions: The IS3D module

The IS3D particlization module simulates the emission of hadrons from heavy-ion collisions via Monte-Carlo sampling of the Cooper–Frye formula which converts fluid dynamical information into local phase-space distributions for hadrons. The code package includes multiple choices for the non-equilibrium correction to these distribution functions: the 14-moment approximation, first-order Chapman–Enskog expansion, and two types of modified equilibrium distributions. This makes it possible to explore to what extent heavy-ion experimental data are sensitive to different choices for δf n , presently the main source of theoretical uncertainty in the particlization stage. Here, we validate our particle sampler with a high degree of precision by generating several million hadron emission events from a longitudinally boost-invariant hypersurface and comparing the event-averaged particle spectra and space–time distributions to the Cooper–Frye formula.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

In situ calibration of charged particle spectrometers on the OMEGA Laser Facility using 241 Am and 226 Ra sources

Charged particle spectrometry is a critical diagnostic to study inertial-confinement-fusion plasmas and high energy density plasmas. The OMEGA Laser Facility has two fixed magnetic charged particle spectrometers (CPSs) to measure MeV-ions. In situ calibration of these spectrometers was carried out using 241 Am and 226 Ra alpha emitters. The alpha emission spectrum from the sources was measured independently using surface-barrier detectors (SBDs). The energy dispersion and broadening of the CPS systems were determined by comparing the CPS measured alpha spectrum to that of the SBD. The calibration method significantly constrains the energy dispersion, which was previously obtained through the measurement of charged particle fusion products. Overall, a small shift of 100 keV was observed between previous and the calibration done in this work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

ION focusing

The invention generally relates to apparatuses for focusing ions at or above ambient pressure and methods of use thereof. In certain embodiments, the invention provides an apparatus for focusing ions that includes an electrode having a cavity, at least one inlet within the electrode configured to operatively couple with an ionization source, such that discharge generated by the ionization source is injected into the cavity of the electrode, and an outlet. The cavity in the electrode is shaped such that upon application of voltage to the electrode, ions within the cavity are focused and directed to the outlet, which is positioned such that a proximal end of the outlet receives the focused ions and a distal end of the outlet is open to ambient pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗