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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Kuang's Semi-Classical Formalism for Electron Capture Cross-Sections in Ion-Ion Collisions at few MeV's/nucleon: Application to ENA Modeling

Accurate estimates of electron-capture cross sections at energies relevant to energetic neutral atom (ENA) modeling (approx few MeV per nucleon) and for multi-electron ions must rely on first-principles approaches and/or detailed quantum-mechanical simulation of the collision process. Kuang's semi-classical approach offers a middle-ground, elegant and efficient way to arrive at these estimates. We shall present a sample application and current progress in applying and extending Kuang's formalism to ENA modeling.

Barghouty, A. F.↗
NASA NTRSDate not supplied

Observations of Ion-Scale Cyclotron Waves and Their Relationship with Non-thermal Ion Distributions in the Solar Wind

Introduction - Electromagnetic cyclotron waves (ECWs) near the proton cyclotron frequency (f_pc) and higher than Alfvén wave frequency - Ion cyclotron waves (ICWs): left-hand (LH) polarized in plasma frame - Magnetosonicwaves: right-hand (RH) polarized in plasma frame - They are important because the absorption of fluctuating magnetic field energy starting at f_pc has been demonstrated extensively - Before PSP era, intermittent observations of such ECWs in quiet solar wind have been reported in Behannon (1976), Tsurutani et al. (1994), Jian et al. (2009, 2010, 2014), Boardsen et al. (2015), Wicks et al. (2016), etc

L K Jian↗
DOE OSTI2017

One-step hydrothermal synthesis and electrochemical performance of sodium-manganese-iron phosphate as cathode material for Li-ion batteries

The sodium-manganese-iron phosphate Na{sub 2}Mn{sub 1.5}Fe{sub 1.5}(PO{sub 4}){sub 3} (NMFP) with alluaudite structure was obtained by a one-step hydrothermal synthesis route. The physical properties and structure of this material were obtained through XRD and Mössbauer analyses. X-ray diffraction Rietveld refinements confirm a cationic distribution of Na{sup +} and presence of vacancies in A(2)’, Na{sup +} and small amounts of Mn{sup 2+} in A(1), Mn{sup 2+} in M(1), 0.5 Mn{sup 2+} and Fe cations (Mn{sup 2+},Fe{sup 2+} and Fe{sup 3+}) in M(2), leading to the structural formula Na{sub 2}Mn(Mn{sub 0.5}Fe{sub 1.5})(PO{sub 4}){sub 3}. The particles morphology was investigated by SEM. Several reactions with different hydrothermal reaction times were attempted to design a suitable synthesis protocol of NMFP compound. The time of reaction was varied from 6 to 48 h at 220 °C. The pure phase of NMFP particles was firstly obtained when the hydrothermal reaction of NMFP precursors mixture was maintained at 220 °C for 6 h. When the reaction time was increased from 6 to 12, 24 and 48 h, the dandelion structure was destroyed in favor of NMFP micro-rods. The combination of NMFP (NMFP-6H, NMFP-12H, NMFP-24H and NMFP-48H) structure refinement and Mössbauer characterizations shows that the increase of the reaction time leads to the progressive increment of Fe(III) and the decrease of the crystal size. The electrochemical tests indicated that NMFP is a 3 V sodium intercalating cathode. The comparison of the discharge capacity evolution of studied NMFP electrode materials at C/5 current density shows different capacities of 48, 40, 34 and 34 mA h g{sup −1} for NMFP-6H, NMFP-12H, NMFP-24H and NMFP-48H respectively. Interestingly, all samples show excellent capacity retention of about 99% during 50 cycles. - Graphical abstract: SEM micrographs (left) and evolution of the discharge on cycling with increasing rates from C/15 to 4 C (right) of NMFP material prepared by hydrothermal synthesis at 220 °C at indicated time. Display Omitted - Highlights: • One-step hydrothermal method was used to prepare sodium manganese iron phosphate NMFP. • 3D-NMFP dandelion sphere-like particles were obtained at 220 °C after 6 h. • Increasing reaction time leads to the enhancement of the crystallinity and crystal stabilility of NMFP. • The growth of the particle size and change of morphology are correlated to the reaction time. • EC performance of NMFP powders were greatly affected by the synthesis conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Kinetics of ion-ion mutual neutralization: Halide anions with polyatomic cations

The binary mutual neutralization (MN) of a series of 17 cations (O{sub 2}{sup +}, NO{sup +}, NO{sub 2}{sup +}, CO{sup +}, CO{sub 2}{sup +}, Cl{sup +}, Cl{sub 2}{sup +}, SO{sub 2}{sup +}, CF{sub 3}{sup +}, C{sub 2}F{sub 5}{sup +}, NH{sub 3}{sup +}, H{sub 3}{sup +}, D{sub 3}{sup +}, H{sub 2}O{sup +}, H{sub 3}O{sup +}, ArH{sup +}, ArD{sup +}) with 3 halide anions (Cl{sup −}, Br{sup −}, I{sup −}) has been investigated in a flowing afterglow-Langmuir probe apparatus using the variable electron and neutral density attachment mass spectrometry technique. The MN rate constants of atom-atom reactions are dominated by the chemical nature of the system (i.e., the specific locations of curve crossings). As the number of atoms in the system increases, the MN rate constants become dominated instead by the physical nature of the system (e.g., the relative velocity of the reactants). For systems involving 4 or more atoms, the 300 K MN rate constants are well described by 2.7 × 10{sup −7} μ{sup −0.5}, where the reduced mass is in Da and the resulting rate constants in cm{sup 3} s{sup −1}. An upper limit to the MN rate constants appears well described by the complex potential model described by Hickman assuming a cross-section to neutralization of 11 000 Å{sup 2} at 300 K, equivalent to 3.5 × 10{sup −7} μ{sup −0.5}.

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