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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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Theory-Enabled High-Throughput Screening of Ion Dissociation Explains Conductivity Enhancements in Diluted Ionic Liquid Mixtures

The growing demand for room-temperature ionic liquids (RTILs) for energy applications necessitates the development of an efficient screening platform. Here, in this study, we successfully developed a fully automated high-throughput RTIL screening platform specifically designed for assessing ionic conductivity. By utilizing the 96 wells of a microtiter plate as individual electrolysis cells, we measured the ionic conductivity of 22 different RTILs, encompassing various combinations of cations and anions, and benchmarked the values with existing literature. We also employed the screening platform to investigate the conductivities of RTIL mixtures with a nonaqueous solvent, ethylene glycol (EG). Specific combinations of RTILs with EG result in approximately 200% enhancement in the conductivity values compared to the pure RTILs. To understand the underlying mechanisms responsible for this enhancement, we developed a theoretical framework for ionic conductivity that considers factors such as the degree of dissociation, viscous forces, and molal volume of the RTIL-EG mixtures. The optimized electrolyte mixture was then employed in the migration-assisted moisture gradient (MAMG) CO 2 capture process to study the effects of improved ionic conductivity on the energy efficiency of the process. Notably, the enhanced conductivity of the RTIL-EG mixture led to a nearly 50% reduction in energy consumption for capturing CO 2 . These outcomes highlight the effectiveness of our strategy in screening RTILs and improving existing processes. Moreover, this fully automated high-throughput setup, combined with the developed theoretical framework, provides a comprehensive platform for screening and studying RTIL mixtures with different solvents, enabling their application in various fields.

25 ENERGY STORAGE↗
DOE OSTI2019

Requirements for Enabling Extreme Fast Charging of High Energy Density Li-Ion Cells while Avoiding Lithium Plating

To improve electric vehicle market acceptance, the charge time of their batteries should be reduced to 10–15 minutes. However, achieving 4C to 6C charge rates with today’s batteries is only possible for cells with thin electrodes coming at the expense of low energy density and high battery manufacturing cost. An electrochemical model is validated versus high rate charge data for cells with several loadings. The model elucidates that the main limitations for high energy density cells are poor electrolyte transport resulting in salt depletion within the anode and Li plating at the graphite/separator interface. Next, the model is used to understand what future electrode and electrolyte properties can help enable 4C and 6C charging. Ideally, future electrolytes would be identified with 2X conductivity, 3–4X diffusivity, and transference number of 0.5–0.6. Alternatively charging at elevated temperatures enhances electrolyte transport by 1.5X conductivity and 2–3X diffusivity with a negligible effect on transference number. Another effective strategy to enable 4C and 6C charging is reducing electrode tortuosity. Conversely, increasing electrode porosity and negative/positive ratio are ineffective strategies to improve fast charge capability.

Batteries↗
DOE OSTI2017

Correlation of Electrolyte Volume and Electrochemical Performance in Lithium-Ion Pouch Cells with Graphite Anodes and NMC532 Cathodes

The work herein reports on studies aimed at exploring the correlation between electrolyte volume and electrochemical performance of full cell, pouch-cells consisting of graphite/ Li 1.02 Ni 0.50 Mn 0.29 Co 0.19 O 2 (NMC-532) as the electrodes and 1.2 M LiPF 6 in ethylene carbonate:ethylmethyl carbonate (EC:EMC) as the electrolyte. In addition, it is demonstrated that a minimum electrolyte volume factor of 1.9 times the total pore volume of cell components (cathode, anode, and separator) is needed for long-term cyclability and low impedance. Less electrolyte results in an increase of the measured Ohmic resistances. Increased resistance ratios for charge transfer and passivation layers at cathode, relative to initial values, were 1.5 2.0 after 100 cycles. At the cathode, the resistance from charge transfer was 2-3 times higher than for passivation layers. Lastly, differential voltage analysis showed that anodes were less delithiated after discharging as the cells were cycled.

25 ENERGY STORAGE↗
DOE OSTI2017

Damage evolution of ion irradiated defected-fluorite La 2 Zr 2 O 7 epitaxial thin films

Pyrochlore-structure oxides, A2B2O7, may exhibit remarkable radiation tolerance due to the ease with which they can accommodate disorder by transitioning to a defected fluorite structure. The mechanism of defect formation was explored by evaluating the radiation damage behavior of high quality epitaxial La2Zr2O7 thin films with the defected fluorite structure, irradiated with 1 MeV Zr+ at doses up to 10 displacements per atom (dpa). The level of film damage was evaluated as a function of dose by Rutherford backscattering spectrometry in the channeling geometry (RBS/c) and scanning transmission electron microscopy (STEM). At lower doses, the surface of the La2Zr2O7 film amorphized, and the amorphous fraction as a function of dose fit well to a stimulated amorphization model. As the dose increased, the surface amorphization slowed, and amorphization appeared at the interface. Even at a dose of 10 dpa, the core of the film remained crystalline, despite the prediction of amorphization from the model. To inform future ab initio simulations of La2Zr2O7, the bandgap of a thick La2Zr2O7 film was measured to be indirect at 4.96 eV, with a direct transition at 5.60 eV.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2019

Nuclear properties for astrophysical and radioactive-ion-beam applications (II)

We tabulate the ground-state odd-proton and odd-neutron spins and parities, proton and neutron pairing gaps, one- and two-neutron separation energies, quantities related to β-delayed one- and two-neutron emission probabilities, average energy and average number of emitted neutrons, β-decay energy release and half-life with respect to Gamow–Teller decay with a phenomenological treatment of first-forbidden decays, one- and two-proton separation energies, and α-decay energy release and half-life for 9318 nuclei ranging from {sup 16}O to {sup 339}136 and extending from the proton drip line to the neutron drip line. This paper is a new and improved version of Atomic Data And Nuclear Data Tables [66 131 (1997)]. The starting point of our present work is the new study (FRDM(2012)) of nuclear ground-state masses and deformations based on the finite-range droplet model and folded-Yukawa single-particle potential published in a previous issue of Atomic Data And Nuclear Data Tables [109–110, 1 (2016)]. The β-delayed neutron-emission probabilities and Gamow–Teller β-decay rates are obtained from a quasi-particle random-phase approximation with single-particle levels and wave functions at the calculated nuclear ground-state shapes as input quantities. A development since 1997 is we now use a Hauser–Feshbach approach to account for (n, γ) competition and treat first-forbidden decay in a phenomenological approach.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗