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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

The development of a room temperature electron cyclotron resonance ion source (Lanzhou electron cyclotron resonance ion source No. 4) with evaporative cooling technology at Institute of Modern Physics

LECR4 (Lanzhou electron cyclotron resonance ion source No. 4) has been successfully constructed at IMP and has also been connected with the Low Energy Beam Transport (LEBT) and Radio Frequency Quadrupole (RFQ) systems. These source magnet coils are cooled through evaporative cooling technology, which is the first attempt with an ECR ion source in the world. The maximum mirror field is 2.5 T (with iron plug) and the effective plasma chamber volume is 1.2 l. It was designed to be operated at 18 GHz and aimed to produce intense multiple charge state heavy ion beams for the linear injector project SSC-Linac at IMP. In February 2014, the first analyzed beam at 18 GHz was extracted. During about three months’ commissioning, some outstanding results have been achieved, such as 1.97 emA of O{sup 6+}, 1.7 emA of Ar{sup 8+}, 1.07 emA of Ar{sup 9+}, and 118 euA of Bi{sup 28+}. The source has also successfully delivered O{sup 5+} and Ar{sup 8+} ion beams for RFQ commissioning in April 2014. This paper will give a brief overview of the design of LECR4. Then, the latest results of this source at 18 GHz will be presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Multiscale modeling and characterization for performance and safety of lithium-ion batteries

Lithium-ion batteries are highly complex electrochemical systems whose performance and safety are governed by coupled nonlinear electrochemical-electrical-thermal-mechanical processes over a range of spatiotemporal scales. Gaining an understanding of the role of these processes as well as development of predictive capabilities for design of better performing batteries requires synergy between theory, modeling, and simulation, and fundamental experimental work to support the models. This paper presents the overview of the work performed by the authors aligned with both experimental and computational efforts. In this paper, we describe a new, open source computational environment for battery simulations with an initial focus on lithium-ion systems but designed to support a variety of model types and formulations. This system has been used to create a three-dimensional cell and battery pack models that explicitly simulate all the battery components (current collectors, electrodes, and separator). The models are used to predict battery performance under normal operations and to study thermal and mechanical safety aspects under adverse conditions. This paper also provides an overview of the experimental techniques to obtain crucial validation data to benchmark the simulations at various scales for performance as well as abuse. We detail some initial validation using characterization experiments such as infrared and neutron imaging and micro-Raman mapping. In addition, we identify opportunities for future integration of theory, modeling, and experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Elimination of carbon vacancies in 4H-SiC epi-layers by near-surface ion implantation: Influence of the ion species

The carbon vacancy (V{sub C}) is a prevailing point defect in high-purity 4H-SiC epitaxial layers, and it plays a decisive role in controlling the charge carrier lifetime. One concept of reducing the V{sub C}-concentration is based on carbon self-ion implantation in a near surface layer followed by thermal annealing. This leads to injection of carbon interstitials (C{sub i}'s) and annihilation of V{sub C}'s in the epi-layer “bulk”. Here, we show that the excess of C atoms introduced by the self-ion implantation plays a negligible role in the V{sub C} annihilation. Actually, employing normalized implantation conditions with respect to displaced C atoms, other heavier ions like Al and Si are found to be more efficient in annihilating V{sub C}'s. Concentrations of V{sub C} below ∼2 × 10{sup 11} cm{sup −3} can be reached already after annealing at 1400 °C, as monitored by deep-level transient spectroscopy. This corresponds to a reduction in the V{sub C}-concentration by about a factor of 40 relative to the as-grown state of the epi-layers studied. The negligible role of the implanted species itself can be understood from simulation results showing that the concentration of displaced C atoms exceeds the concentration of implanted species by two to three orders of magnitude. The higher efficiency for Al and Si ions is attributed to the generation of collision cascades with a sufficiently high energy density to promote C{sub i}-clustering and reduce dynamic defect annealing. These C{sub i}-related clusters will subsequently dissolve during the post-implant annealing giving rise to enhanced C{sub i} injection. However, at annealing temperatures above 1500 °C, thermodynamic equilibrium conditions start to apply for the V{sub C}-concentration, which limit the net effect of the C{sub i} injection, and a competition between the two processes occurs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Dynamics of ion beam charge neutralization by ferroelectric plasma sources

Ferroelectric Plasma Sources (FEPSs) can generate plasma that provides effective space-charge neutralization of intense high-perveance ion beams, as has been demonstrated on the Neutralized Drift Compression Experiment NDCX-I and NDCX-II. This article presents experimental results on charge neutralization of a high-perveance 38 keV Ar + beam by a plasma produced in a FEPS discharge. By comparing the measured beam radius with the envelope model for space-charge expansion, it is shown that a charge neutralization fraction of 98% is attainable with sufficiently dense FEPS plasma. The transverse electrostatic potential of the ion beam is reduced from 15V before neutralization to 0.3 V, implying that the energy of the neutralizing electrons is below 0.3 eV. Measurements of the time-evolution of beam radius show that near-complete charge neutralization is established similar to –5 μs after the driving pulse is applied to the FEPS and can last for 35 μs. It is argued that the duration of neutralization is much longer than a reasonable lifetime of the plasma produced in the sub-mu s surface discharge. Measurements of current flow in the driving circuit of the FEPS show the existence of electron emission into vacuum, which lasts for tens of mu s after the high voltage pulse is applied. Lastly, it is argued that the beam is neutralized by the plasma produced by this process and not by a surface discharge plasma that is produced at the instant the high-voltage pulse is applied.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Nonlinear heavy-ion-acoustic waves in an adiabatic collisionless Bi-ion plasma

The basic properties of heavy-ion-acoustic (HIA) waves have been investigated in a collisionless plasma system which is supposed to be composed of nonthermal electrons, Boltzmann distributed light ions, and adiabatic positively charged inertial heavy ions. The Kortewg-de Vries and Burgers equations are derived in nonplanar (cylindrical and spherical) geometry by employing the standard reductive perturbation method for studying the basic features (viz. amplitude, phase speed, etc.) of HIA solitary and shock waves, which are associated with either positive or negative potential. It is found that the effects of nonplanar geometry, adiabaticity of positively charged inertial heavy ions, the presence of nonthermal (Cairns distributed) electrons, and number densities of the plasma components significantly modify the basic features of nonplanar HIA waves. It has been observed that the properties of solitary and shock waves associated with HIA waves in a nonplanar geometry differ from those in a planar geometry. The implications of our results may be helpful in understanding the electrostatic perturbations in various laboratory and astrophysical plasma environments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Growth and nonlinear saturation of electromagnetic ion cyclotron waves in multi-ion species magnetospheric plasma

Here, the growth and saturation of electromagnetic ion cyclotron (EMIC) waves is essential to the magnetospheric dynamics. Determining and isolating the effects of multiple ion parameters such as temperatures, anisotropies, and relative abundances is important for quantifying these processes in the magnetospheric plasma. In order to study these process, we utilize a 2.5–D hybrid model (where ions are modeled with the particle–in–cell (PIC) method, and electrons are modeled as background neutralizing fluid) to study the nonlinear electromagnetic wave–particle interactions of hot H + , cold H + , cold He + , and cold or hot O + ions for a broad range of typical magnetospheric parameters. The excitation of EMIC waves is driven by the temperature anisotropy of hot H + in our model. As a result, we quantify the parametric dependence of the linear growth, the nonlinear saturation level of perpendicular magnetic fluctuations, and the temporal evolution of the ion temperature anisotropies. We establish the relation between key plasma parameters and the saturated EMIC wave power, using either power law fits or a nonlinear regression method. We construct the dispersion relation of the waves using the results of the model and investigate the energy content in the various branches of the dispersion ( k ∥ –ω space), showing that the different modes can generate wave power in different regions of k space. We find that large O + concentration reduces the growth and saturated amplitude of the waves; but the waves are less sensitive to the temperature of the O + in the temperature range relevant to the magnetosphere.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Alkali‐Ion‐Assisted Activation of ε‐VOPO 4 as a Cathode Material for Mg‐Ion Batteries

Abstract Rechargeable multivalent‐ion batteries are attractive alternatives to Li‐ion batteries to mitigate their issues with metal resources and metal anodes. However, many challenges remain before they can be practically used due to the low solid‐state mobility of multivalent ions. In this study, a promising material identified by high‐throughput computational screening is investigated, ε‐VOPO 4 , as a Mg cathode. The experimental and computational evaluation of ε‐VOPO 4 suggests that it may provide an energy density of >200 Wh kg −1 based on the average voltage of a complete cycle, significantly more than that of well‐known Chevrel compounds. Furthermore, this study finds that Mg‐ion diffusion can be enhanced by co‐intercalation of Li or Na, pointing at interesting correlation dynamics of slow and fast ions.

25 ENERGY STORAGE↗
DOE OSTI2019

Traveling-Wave-Based Electrodynamic Switch for Concurrent Dual-Polarity Ion Manipulations in Structures for Lossless Ion Manipulations

In this work, we describe the development of a dual-polarity traveling-wave (TW) structures for lossless ion manipulations (SLIM) ion mobility spectrometry (IMS) device capable of switching both positive and negative ions that are traveling simultaneously along the same path to different regions of the SLIM. Through simulations, the routing efficiency of the SLIM TW switch was compared to a SLIM direct-current-based (DC) switch developed previously for IMS-MS. We also report on the initial experimental evaluation of a dual-polarity SLIM platform, which uses the TW-based ion switch to achieve higher resolution multipass serpentine ultralong path with extended routing (SUPER) IMS separations. Overall, these results show that the dual-polarity TW switch is not only as effective as DC switching in terms of routing efficiency but also is agnostic to the polarity of the ions being routed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Complex Ion Dynamics in Carbonate Lithium-Ion Battery Electrolytes

Li-ion battery performance is strongly influenced by ionic conductivity, which depends on the mobility of the Li ions in solution, and is related to their solvation structure. In this work, we have performed first-principles molecular dynamics (FPMD) simulations of a LiPF6 salt solvated in different Li-ion battery organic electrolytes. We employ an analytical method using relative angles from successive time intervals to characterize complex ionic motion in multiple dimensions from our FPMD simulations. We find different characteristics of ionic motion on different time scales. We find that the Li ion exhibits a strong caging effect due to its strong solvation structure, while the counterion, PF6– undergoes more Brownian-like motion. Lastly, our results show that ionic motion can be far from purely diffusive and provide a quantitative characterization of the microscopic motion of ions over different time scales.

25 ENERGY STORAGE↗
DOE OSTI2017

Mg-Ion Battery Electrode: An Organic Solid’s Herringbone Structure Squeezed upon Mg-Ion Insertion

We report that crystalline 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA), an organic solid, is highly amenable to host divalent metal ions, i.e., Mg 2+ and Ca 2+ , in aqueous electrolytes, where the van der Waals structure is intrinsically superior in hosting charge-dense ions. We observe that the divalent nature of Mg 2+ causes unique squeezing deformation of the electrode structure, where it contracts and expands in different crystallographic directions when hosting the inserted Mg-ions. This phenomenon is revealed experimentally by ex situ X-ray diffraction and transmission electron microscopy, and is investigated theoretically by first-principles calculations. Interestingly, hosting one Mg 2+ ion requires the coordination from three PTCDA molecules in adjacent columns of stacked molecules, which rotates the columns, thus reducing the (011) spacing but increasing the (021) spacing. Here, we demonstrate that a PTCDA Mg-ion electrode delivers a reversible capacity of 125 mA h g –1 , which may include a minor contribution of hydronium storage, a good rate capability by retaining 75 mA h g –1 at 500 mA g –1 (or 3.7 C), and a stable cycle life. We also report Ca 2+ storage in PTCDA, where a reversible capacity of over 80 mA h g –1 is delivered.

25 ENERGY STORAGE↗