Results for “ion source” — Page 29

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.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

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.

Cooks, Robert Graham↗

DOE OSTI2022

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.

Cooks, Robert Graham↗

DOE OSTI2023

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.

Cooks, Robert Graham↗

DOE OSTI2023

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.

Cooks, Robert Graham↗

DOE OSTI2023

Coal as Value-Added for Lithium Battery Anodes (Final Report)

Graphite is a basic material used for energy storage in lithium-ion (Li-ion) batteries. More than 70% of worldwide graphite production and nearly 50% of the annual graphite supply for the United States comes from China. Potential economic and national security concerns exist because Li-ion batteries are used not only for the fast-growing electrical vehicle market (15.6% compound annual growth rate [CAGR] from 2018 to 2028 in North America), but also for defense applications including unmanned aerial and ground vehicles. Development of an alternative formulation for Li-ion batteries is key. Building upon previous research confirming the ability of silicon alloys to improve the energy density of anodes, Semplastics developed a novel material based on our X-MAT® polymer-derived ceramic (PDC) technology. The X-MAT anode material is a composite of chemically tailored silicon oxycarbide (SiOC) and domestically sourced coal powder, designed to be a drop-in replacement for graphite within Li-ion battery anodes. Preliminary tests of this material showed more than twice the reversible capacity of graphite anodes (1,000 mAh/g vs. 372 mAh/g), with excellent stability and capacity retention, almost 100% coulombic efficiency, low voltage potential, and low thermal expansion. At full adoption in 2024, we expect the coal utilization to reach 27,300 tons. Through this project, Semplastics proposed to complete development and begin commercialization of this material. The objective was to determine the best formulation for technical performance and economic viability. At the end of the project, the X-MAT anode material is ready for implementation into existing battery manufacturing processes and can have a significant impact on the utilization of coal, with positive effects for the mining sector and the mitigation of carbon dioxide (CO 2 ) emissions.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2025

Terrestrial atmospheric ion implantation occurred in the nearside lunar regolith during the history of Earth’s dynamo

Light volatile elements in lunar regolith are thought to be a mixture of the solar wind and Earth’s atmosphere, the latter sourced in the absence of geomagnetic field. However, the extent to which both the current and primitive geodynamo influence the transport of terres trial ions still remains unclear, and this uncertainty is further complicated by the enigmatic composition and poorly constrained location of the Eoarchean exosphere. Here we use 3-D MHD numerical simulations with contemporary magnetized and Archean unmagnetized atmospheres to investigate how Earth’s intrinsic magnetic field affects this transfer, aiming to constrain how and when the lunar isotopic signature provides a record of Earth’s pale-oatmosphere. We find that atmospheric transfer is efficient only when the Moon is within Earth’s magnetotail. The non-solar contribution to the lunar soil is best explained by implantation during the long history of the geodynamo with present-day solar wind conditions, rather than any short, putatively unmagnetized epoch of early Archean Earth. This further suggests the history of the terrestrial atmosphere, spanning billions of years, could be preserved in buried lunar soils. Our results indicate that the elemental abundances of Apollo samples are very sensitive to Earth’s hydrodynamic exobase altitude, which, at the time of ion implantation, was never smaller than 190 km.

Atmospheric dynamics↗

DOE OSTI2022

Recent Developments of Tin (II) Sulfide/Carbon Composites for Achieving High-Performance Lithium Ion Batteries: A Critical Review

The ever-increasing worldwide energy demand and the limited resources of fossil have forced the urgent adoption of renewable energy sources. Additionally, concerns over CO 2 emissions and potential increases in fuel prices have boosted technical efforts to make hybrid and electric vehicles more accessible to the public. Rechargeable batteries are undoubtedly a key player in this regard, especially lithium ion batteries (LIBs), which have high power capacity, a fast charge/discharge rate, and good cycle stability, while their further energy density improvement has been severely limited, because of the relatively low theoretical capacity of the graphite anode material which is mostly used. Among various high-capacity anode candidates, tin (II) sulfide (SnS 2 ) has been attracted remarkable attention for high-energy LIBs due to its enormous resource and simplicity of synthesis, in addition to its high theoretical capacity. However, SnS 2 has poor intrinsic conductivity, a big volume transition, and a low initial Coulombic efficiency, resulting in a short lifespan. SnS 2 /carbon composites have been considered to be a most promising approach to addressing the abovementioned issues. Therefore, this review summarizes the current progress in the synthesis of SnS 2 /carbon anode materials and their Li-ion storage properties, with special attention to the developments in Li-based technology, attributed to its immense current importance and promising prospects. Finally, the existing challenges within this field are presented, and potential opportunities are discussed.

25 ENERGY STORAGE↗

DOE OSTI2022

Sodium-ion Battery

Room temperature rechargeable sodium-ion batteries (NIBs) are one of the most promising candidates for large-scale energy storage and load leveling of renewable energy sources due to the abundance, low cost of Na resources, and their relatively high energy density. NIBs are primarily based on intercalation chemistry and are similar to Lithium-ion batteries (LIB). The rich knowledge gained in LIBs for the past 4 decades have accelerated the discovery and development of high energy density NIBs cathode and anode materials. The use of sustainable Na, Al current collector, and Mn and Fe based cathode materials is expected to stabilize the cost and demand for Li, Co, Ni and Cu.

Omenya, Fredrick O.↗

DOE OSTI2022

Physics-Informed Neural Network Modeling of Li-Ion Batteries: Preprint

Li-ion batteries (LIB) are a promising solution to enable storage of intermittent energy sources due to their high energy density. However, LIBs are known to significantly degrade after about 1000 charge-discharge cycles. LIBs degrade following different degradation modes and at a rate that depends on the operating conditions (external temperature, load). To plan the installation of batteries, appropriate understanding and prediction capabilities of their lifecycle is needed. High-fidelity numerical models of LIBs such as the pseudo-two-dimensional (P2D) model have been shown to accurately represent the charge-discharge-cycle of an LIB given ac- curate choice of the physical parameters. Given the large number of P2D parameters, adjusting them using forward runs is intractable. This work describes the development of a physics-informed neural network (PINN) as a surrogate substitute of the P2D model that captures parameter dependence. The PINN is advantageous as it needs little to no data, and can naturally encode the dependence of every model parameter. Here, a specific training procedure is adopted to efficiently cover parameter space, handle model stiffness and enforce boundary conditions. The trained PINN is validated against numerical solutions of the P2D model, and its applicability to battery degradation modeling is discussed.

battery degradation↗

DOE OSTI2025

Visualizing and analyzing 3D biomolecular structures using Mol* at RCSB.org: Influenza A H5N1 virus proteome case study

The easiest and often most useful way to work with experimentally determined or computationally predicted structures of biomolecules is by viewing their three-dimensional (3D) shapes using a molecular visualization tool. Mol* was collaboratively developed by RCSB Protein Data Bank (RCSB PDB, RCSB.org) and Protein Data Bank in Europe (PDBe, PDBe.org) as an open-source, web-based, 3D visualization software suite for examination and analyses of biostructures. It is capable of displaying atomic coordinates and related experimental data of biomolecular structures together with a variety of annotations, facilitating basic and applied research, training, education, and information dissemination. Across RCSB.org, the RCSB PDB research-focused web portal, Mol* has been implemented to support single-mouse-click atomic-level visualization of biomolecules (e.g., proteins, nucleic acids, carbohydrates) with bound cofactors, small-molecule ligands, ions, water molecules, or other macromolecules. RCSB.org Mol* can seamlessly display 3D structures from various sources, allowing structure interrogation, superimposition, and comparison. Using influenza A H5N1 virus as a topical case study of an important pathogen, we exemplify how Mol* has been embedded within various RCSB.org tools—allowing users to view polymer sequence and structure-based annotations integrated from trusted bioinformatics data resources, assess patterns and trends in groups of structures, and view structures of any size and compositional complexity. In addition to being linked to every experimentally determined biostructure and Computed Structure Model made available at RCSB.org, Standalone Mol* is freely available for visualizing any atomic-level or multi-scale biostructure at rcsb.org/3d-view.

3D biostructure↗

DOE OSTI2024

Auto Recycler Report: Results from a Questionnaire about Processing Electric Vehicles and Handling High-Voltage Batteries

With the transition to clean energy the demand for electric vehicles in the United States is rapidly growing. As demand continues to rise in the next couple of decades, sourcing materials (e.g., lithium, nickel, cobalt, graphite, etc.) to put into new batteries for electric vehicles will be critical. The U.S. does not have significant reserves of most of these materials and relies heavily on foreign countries. The lithium-ion batteries in electric vehicles are large and contain substantial amounts of critical materials, therefore, they are a promising source of materials for new batteries. Recycling electric vehicle batteries when they reach their end-of-life will enable the United States to generate a domestic supply of materials needed for future batteries. [1-3] The auto recycling industry is the largest collective owner of end-of-life vehicles in the U.S. and will be the primary handlers of battery-powered vehicles (i.e., hybrid or electric) when they reach the end of their useful life. In an effort to better understand how the auto recycling industry currently handles battery-powered vehicles and their high-voltage batteries, DOE’s ReCell Center for Advanced Battery Recycling (ReCell) developed a questionnaire and distributed it to various trade organizations in the automotive recycling industry.

25 ENERGY STORAGE↗

DOE OSTI2024

2D kinetic-ion simulations of inverted corona fusion targets

Laser-driven “inverted corona” fusion targets have attracted interest as a low-convergence neutron source and platform for studying kinetic physics. The scheme consists of a hollow or gas-filled spherical shell made of deuterated plastic. The shell has one or more laser entrance holes (LEH), resembling a spherical hohlraum. The laser passes through the LEH’s and illuminates the interior surface of the shell, ablating a plasma that travels inward towards the target center. Long ion mean free paths in the converging plasma can lead to significant interpenetration, atomic mix, and other kinetic effects. Here, in this work we report on numerical simulations of inverted corona targets using the kinetic-ion, fluid–electron hybrid particle-in-cell (PIC) approach in 2D RZ geometry. 2D simulations suggest that shape effects do not have a significant impact on plasma evolution and observed yield trends are primarily the result of 1D kinetic mix mechanisms. Simulations are also compared against available experimental data recorded at the OMEGA laser facility. In particular, synthetic x-ray emission images show good qualitative agreement with experimental results, albeit with an apparent timing discrepancy for the two-sided vacuum target. More generally, we demonstrate the potential of hybrid-PIC simulations for full-system modeling and experimental design, including collisional absorption of laser energy, plasma evolution, mix, and fusion burn.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Investigating the impacts of solid phase extraction on dissolved organic matter optical signatures and the pairing with high‐resolution mass spectrometry data across a freshwater stream network

Abstract Advancing our understanding of dissolved organic matter (DOM) chemistry in aquatic systems necessitates the integration of data streams from multiple analytical platforms. Some measurements require pretreatment with solid phase extraction (SPE), while others are performed directly on whole water samples. Evidence has suggested that SPE will be biased against select DOM fractions, leading to concerns over the ability to establish data linkages across platforms with variable needs for SPE pretreatment, such as those from optical measurements and those that provide high‐resolution molecular information. Here, we directly addressed this concern by assessing the impact of SPE on DOM optical properties through excitation–emission matrices with parallel factor analysis (PARAFAC) for 47 samples across a stream network within a single watershed reflective of variable DOM sources. PARAFAC data was further paired with molecular information obtained by Fourier transform ion cyclotron resonance mass spectrometry (FTICR‐MS). A comparison of PARAFAC models first revealed no systematic qualitative differences in major components between whole water DOM and DOM isolated by SPE (SPE‐DOM); however, quantitative biases against select components were observed. Further linkages with FTICR‐MS data revealed that the molecular fingerprint associated with each PARAFAC component was consistent between the whole water DOM and SPE‐DOM. Our results suggest that bulk scale linkages across these analytical platforms could be inferred irrespective of the observed quantitative biases resulting from SPE for samples within this example watershed. This work represents a key step toward the systematic evaluation of linkages between optical and high‐resolution mass spectrometry datasets in freshwater lotic environments.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Investigation of sCVD diamond detectors for low energy heavy-ion reactions

Here the performance characteristics of single-crystalline diamond detectors at varying rates of heavy-ions below 50 MeV/u have been investigated. When tested with a 228 Th source, the energy resolution of these detectors is better than 1.0% FWHM for 8.8 MeV α-particles. With a slight reduction in the energy resolution, simultaneous timing resolution of 314 ps has been achieved. Isotopic resolution has been achieved up to magnesium using a diamond telescope at low rates with a 20 MeV/u 20 Ne + 12 C reaction. At moderate rates of direct 7.5 MeV/u 78 Kr, polarization effects are observed, though this effect can be diminished by increasing the applied voltage on the detector up to a limit. After an accumulated dose of 6.9 × 10 8 direct 78 Kr particles transmitting through the detector, a degradation in the energy resolution of the 8.8 MeV peak from 1.6% to 5.3% is observed, indicating that permanent damage has been done to the detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Role of water model on ion dissociation at ambient conditions

In this work, we study ion pair dissociation in water at ambient conditions using a combination of classical and ab initio approaches. The goal of this study is to disentangle the sources of discrepancy observed in computed potentials of mean force. In particular, we aim to understand why some models favor the stability of solvent-separated ion pairs vs contact ion pairs. We found that some observed differences can be explained by non-converged simulation parameters. However, we also unveil that for some models, small changes in the solution density can have significant effects on modifying the equilibrium balance between the two configurations. We conclude that the thermodynamic stability of contact and solvent-separated ion pairs is very sensitive to the dielectric properties of the underlying simulation model. In general, classical models are very robust in providing a similar estimation of the contact ion pair stability, while this is much more variable in density functional theory-based models. The barrier to transition from the solvent-separated to contact ion pair is fundamentally dependent on the balance between electrostatic potential energy and entropy. This reflects the importance of water intra- and inter-molecular polarizability in obtaining an accurate description of the screened ion–ion interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Observation of alpha-particles in recent D–T experiments on JET

The fusion reaction between deuterium and tritium, D(T,n) 4 He is the main source of energy in future thermonuclear reactors. Alpha-particles ( 4 He-ions) born with an average energy of 3.5 MeV transferring energy to the thermal plasma during their slowing down, should provide the self-sustained D–T plasma burn. The adequate confinement of α-particles is essential to provide efficient heating of the bulk plasma and steady burning of a reactor plasma. That is why the fusion-born α-particle studies have been a priority task in the second D–T experiments (DTE2) on the Joint European Torus (JET) to understand the main mechanisms of their slowing down, redistribution and losses and to develop optimal plasma scenarios. JET with Be-wall and W-divertor, enhanced auxiliary heating systems and improved energetic-particle diagnostic capabilities, producing significant population of α-particles, provided the possibility for comprehensive studying of the α-particle behaviour. Selected results of the confined and lost α-particle measurements, evidence of α-particle self-heating and assessments of the fusion performance are presented in this paper giving an opportunity for further modelling and extrapolation to the International Thermonuclear Experimental Reactor and burning plasma reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

SuperNu Version 4.x

We seek to release SuperNu, Version 4.x, as a continuation of development for the open source SuperNu software. The SuperNu, Version 3.x Monte Carlo radiative transfer code for astrophysical transients was released with GPLv3 copyright, asserted by LANL in 2015. For the next release we have features planned for development , including: opacity implementation (including non-local thermodynamic equilibrium effects), generalized source implementation (e.g. for emulating shock heating in Type II supernovae), 3T (electron, ion, radiation) internal energy update, special relativity corrections through O(v^2/c^2), light polarization (e.g. for comparison to spectroplarimetry observations of supernovae and kilonovae), and infrastructure features (checkpoint and restart of simulations, and tools including setup and Slurm batch scripts and simulation post-processing/analysis scripts). These features are intended to improve the fidelity and/or better understand uncertainty in supernova and kilonova light curve calculations.

Wollaeger, Ryan↗