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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Ion partitioning between brines and ion exchange polymers

Quantitative failure of the ideal Donnan model to predict ion partitioning between relatively dilute electrolyte aqueous solutions and ion exchange polymers arises from neglecting non-ideal behavior of ions. Hypothetically, when a water swollen, charged polymer is equilibrated with concentrated salt solutions, most of the fixed charge groups are neutralized by sorbed counter-ions, which can screen electrostatic effects and create, in the membrane, an environment thermodynamically similar to that experienced by ions in the external electrolyte solution. In this study, a combined experimental and theoretical approach was used to test this hypothesis. A fundamental study of ion partitioning between a cation exchange membrane based on cross-linked poly(p-styrene sulfonate-co-divinylbenzene) and NaCl and CaCl2 concentrated brines is presented. At high electrolyte concentrations, the experimentally measured ion activity coefficients in the membrane match those in the contiguous external solution, and the ideal Donnan model provides an accurate prediction of co-ion and counter-ion concentrations in the polymer. This physical picture was further confirmed by the recently developed Manning-Donnan model.

catalysis (heterogeneous)↗
DOE OSTI2016

Hydrodynamic description of an unmagnetized plasma with multiple ion species. II. Two and three ion species plasmas

Paper I [A. N. Simakov and K. Molvig, Phys. Plasmas23, 032115 (2016)] obtained a fluid description for an unmagnetized collisional plasma with multiple ion species. To evaluate collisional plasmatransport fluxes, required for such a description, two linear systems of equations need to be solved to obtain corresponding transport coefficients. In general, this should be done numerically. Herein, the general formalism is used to obtain analytical expressions for such fluxes for several specific cases of interest: a deuterium-tritium plasma; a plasma containing two ion species with strongly disparate masses, which agrees with previously obtained results; and a three ion species plasma made of deuterium, tritium, and gold. We find that these results can be used for understanding the behavior of the aforementioned plasmas, or for verifying a code implementation of the general multi-ion formalism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Laser-induced fluorescence measurements of argon and xenon ion velocities near the sheath boundary in 3 ion species plasmas

The Bohm sheath criterion is studied with laser-induced fluorescence in three ion species plasmas using two tunable diode lasers. Krypton is added to a low pressure unmagnetized DC hot filament discharge in a mixture of argon and xenon gas confined by surface multi-dipole magnetic fields. The argon and xenon ion velocity distribution functions are measured at the sheath-presheath boundary near a negatively biased boundary plate. The potential structures of the plasma sheath and presheath are measured by an emissive probe. Results are compared with previous experiments with Ar–Xe plasmas, where the two ion species were observed to reach the sheath edge at nearly the same speed. This speed was the ion sound speed of the system, which is consistent with the generalized Bohm criterion. In such two ion species plasmas, instability enhanced collisional friction was demonstrated [Hershkowitz et al., Phys. Plasmas 18(5), 057102 (2011).] to exist which accounted for the observed results. When three ion species are present, it is demonstrated under most circumstances the ions do not fall out of the plasma at their individual Bohm velocities. It is also shown that under most circumstances the ions do not fall out of the plasma at the system sound speed. These observations are also consistent with the presence of the instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Experimental Evaluation and Optimization of Structures for Lossless Ion Manipulations for Ion Mobility Spectrometry with Time-of-Flight Mass Spectrometry

We report on the performance of Structures for Lossless Ion Manipulation (SLIM) devices as a means for transmitting ions and performing ion mobility separations (IMS). Ions were successfully transferred from an electrospray ionization (ESI) source to the TOF MS analyzer by means of a linear SLIM device and an alternative arrangement including a 90° turn. First, the linear geometry was optimized for radial confinement by tuning RF on the central ‘rung’ electrodes and potentials on the DC-only guard electrodes. Selecting an appropriate DC guard bias (2-6 V) and RF amplitude (≥160 Vp-p at 750 kHz) resulted in the greatest ion intensities. Close to ideal IMS resolving power was maintained over a range of applied voltages. Second, the 90° turn was optimized for radial confinement by tuning the RF on the rung electrodes and DC on the guard electrodes; however, both resolving power and ion transmission showed a dependence on these voltages and the best conditions for both were > 300 Vp-p RF (685 kHz) and 7-11 V guard DC bias. Both geometries provide IMS resolving powers at the theoretical limit (R~58), showing that the negative “racetrack” effect from turning around a corner can be successfully avoided, as well as the capability for essentially lossless ion transmission.

conveyor↗
DOE OSTI2024

Impact of Confinement and Zwitterionic Ligand Chemistry on Ion–Ion Selectivity of Functionalized Nanopores

Membranes incorporating zwitterionic chemistries have recently emerged as promising candidates for facilitating challenging ion–ion separations. Transport of ions in such membranes predominantly occurs in hydrated nanopores lined with zwitterionic monomers. Here, to shed light on the physics of ion–ion selectivity underlying such materials, we conducted molecular dynamics simulations of sodium halide transport in model nanopores grafted with sulfobetaine methacrylate molecules. Our results reveal that in both functionalized and unfunctionalized nanopores smaller ions prefer to reside near the pore center, while the larger ions tend to reside near the pore walls. An enhancement in the selective transport of larger anions is observed within the unfunctionalized nanopores relative to that in salt-in-water solutions. Upon functionalization of the nanopores with zwitterions (ZIs), the disparities in the anionic distribution profiles within the pores coupled with differences in the anion-ZI interactions result in a slowdown of larger anions relative to smaller anions. Increasing the ZI grafting density exacerbates these effects, further promoting the selective transport of smaller anions. Our results suggest that selectivity toward large anions can be realized by using nanoporous membranes with ZI content that is high enough to facilitate ion/water partitioning into the pores while preserving the characteristic tendency of the unfunctionalized pores to facilitate faster transport of the larger anions. On the other hand, selectivity toward smaller anions can be achieved by targeting ZI content within the pores that is high enough to significantly slow down the transport of large anions but not high enough to hinder the partitioning of ions/water molecules into the pore due to steric effects.

anions↗
DOE OSTI2016

Squeezing of Ion Populations and Peaks in Traveling Wave Ion Mobility Separations and Structures for Lossless Ion Manipulations using Compression Ratio Ion Mobility Programming

In this work, we report an approach for spatial and temporal gas phase ion population manipulation, and demonstrate its application for the collapse of the ion distributions in ion mobility (IM) separations into tighter packets providing higher sensitivity measurements in conjunction with mass spectrometry (MS). We do this for ions moving from a conventionally traveling wave (TW)-driven region to a region where the TW is intermittently halted or ‘stuttered’. This approach causes the ion packets spanning a number of TW-created traveling traps (TT) to be redistributed into fewer TT, resulting in spatial compression. The degree of spatial compression is controllable and determined by the ratio of stationary time of the TW in the second region to its moving time. This compression ratio ion mobility programming (CRIMP) approach has been implemented using Structures for Lossless Ion Manipulations (SLIM) in conjunction with MS. CRIMP with the SLIM-MS platform is shown to provide increased peak intensities, reduced peak widths, and improved S/N ratios with MS detection. CRIMP also provides a foundation for extremely long path length and multi-pass IM separations in SLIM providing greatly enhanced IM resolution by reducing the detrimental effects of diffusional peak broadening due to increasing peak widths.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2015

In-situ TEM/heavy ion irradiation on ultrafine-and nanocrystalline-grained tungsten: Effect of 3 MeV Si, Cu and W ions

Plasma facing components for future fusion applications will experience helium- and neutron-induced structural damage. Direct observation of the in-situ dynamic response of such components during particle beam exposure assists in fundamental understanding of the physical phenomena that give rise to their irradiation resistance. We investigated the response of ultrafine and nanocrystalline-grained tungsten to 3 MeV heavy ion irradiations (Si{sup 2} {sup +}, Cu{sup 3} {sup +} and W{sup 4} {sup +}) for the simulation of neutron-induced damage through transmutation reactions via in-situ ion irradiation–transmission electron microscopy experiments. Defect densities as a function of irradiation dose (displacement per atom) and fluence were studied. Four stages of defect densities evolution were observed, as a function of irradiation dose: 1) increase in defect density at lower doses, 2) higher defect production rate at the intermediate doses (before saturation), 3) reaching the maximum value, and 4) drop of the defect density in the case of W{sup 4} {sup +}, possibly due to defect coalescence and grain boundary absorption of small defect clusters. The effect of grain size on defect densities was investigated and found that defect densities were independent of grain size in the ultrafine and nanocrystalline region (60–400 nm). These results were compared to other heavy ion irradiation studies of structural materials. - Graphical abstract: Bright-field TEM micrographs and defect densities of UF and NC tungsten grains irradiated with a) Si{sup +} {sup 2} at 1.03 dpa: 1) 140 nm — 7.2 × 10{sup −} {sup 3} defects/nm{sup 2}, 2) 122 nm — 6.9 × 10{sup −} {sup 3} defects/nm{sup 2}, 3) 63 nm — 4.7 × 10{sup −} {sup 3} defects/nm{sup 2}, and 4) 367 nm — 6.4 × 10{sup −} {sup 3} defects/nm{sup 2}; b) Cu{sup +} {sup 3} to 3.79 dpa: 1) 228 nm — 4.3 × 10{sup −} {sup 3} defects/nm{sup 2}; 2) 202 nm — 5.9 × 10{sup −} {sup 3} defects/nm{sup 2}; and 3) 137 nm — 6.1 × 10{sup −} {sup 3} defects/nm{sup 2}; and c) W{sup +} {sup 4} to 5.72 dpa: 1) 372 nm — 2.3 × 10{sup −} {sup 3} defects/nm{sup 2} and 2) 128 nm — 4.5 × 10{sup −} {sup 3} defects/nm{sup 2}. - Highlights: • Heavy ion irradiations were performed on UF and NC grained tungsten. • Irradiations were performed with 3 MeV (Si{sup 2} {sup +}, Cu{sup 3} {sup +} and W{sup 4} {sup +}) ions at RT. • Defect density vs. dpa demonstrated four different stages in the case of W{sup 4} {sup +} irradiation. • Defect coalescence and absorption by the grain boundaries were observed after a dose of 3 dpa during W{sup 4} {sup +} irradiation. • No correlation existed between the grain width and the defect density for the UF and NC region.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Tuning Li-Ion Diffusion in α-LiMn 1– x Fe x PO 4 Nanocrystals by Antisite Defects and Embedded β-Phase for Advanced Li-Ion Batteries

Olivine-structured LiMn1-xFexPO4 has become a promising candidate for cathode materials owing to its higher working voltage of 4.1 V and thus larger energy density than that of LiFePO4, which has been used for electric vehicles batteries with the advantage of high safety but disadvantage of low energy density due to its lower working voltage of 3.4 V. One drawback of LiMn1-xFexPO4 electrode is its relatively low electronic and Li-ionic conductivity with Li-ion one-dimensional diffusion. Herein, olivine-structured α-LiMn0.5Fe0.5PO4 nanocrystals were synthesized with optimized Li-ion diffusion channels in LiMn1-xFexPO4 nanocrystals by inducing high concentrations of Fe2+-Li+ antisite defects, which showed impressive capacity improvements of approaching 162, 127, 73, and 55 mAh g-1 at 0.1, 10, 50, and 100 C, respectively, and a long-term cycling stability of maintaining about 74% capacity after 1000 cycles at 10 C. By using high-resolution transmission electron microscopy imaging and joint refinement of hard X-ray and neutron powder diffraction patterns, we revealed that the extraordinary high-rate performance could be achieved by suppressing the formation of electrochemically inactive phase (β-LiMn1-xFexPO4, which is first reported in this work) embedded in α-LiMn0.5Fe0.5PO4. Because of the coherent orientation relationship between β- and α- phases, the β-phase embedded would impede the Li+ diffusion along the [100] and/or [001] directions that was activated by the high density of Fe2+-Li+ antisite (4.24%) in α-phase. Thus, by optimizing concentrations of Fe2+-Li+ antisite defects and suppressing β-phase-embedded olivine structure, Li-ion diffusion properties in LiMn1-xFexPO4 nanocrystals can be tuned by generating new Li+ tunneling. These findings may provide insights into the design and generation of other advanced electrode materials with improved rate performance.

25 ENERGY STORAGE↗
DOE OSTI2015

Sub-micron resolution of localized ion beam induced charge reduction in silicon detectors damaged by heavy ions

In this study, displacement damage reduces ion beam induced charge (IBIC) through Shockley-Read-Hall recombination. Closely spaced pulses of 200 keV Si ++ ions focused in a 40 nm beam spot are used to create damage cascades within 0.25 μm 2 areas. Damaged areas are detected through contrast in IBIC signals generated with focused ion beams of 200 keV Si ++ ions and 60 keV Li + ions. IBIC signal reduction can be resolved over sub-micron regions of a silicon detector damaged by as few as 1000 heavy ions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Thermal Responsive Ion Selectivity of Uranyl Peroxide Nanocages: An Inorganic Mimic of K + Ion Channels

Abstract An actinyl peroxide cage cluster, Li 48+ m K 12 (OH) m [UO 2 (O 2 )(OH)] 60 (H 2 O) n ( m ≈20 and n ≈310; U 60 ), discriminates precisely between Na + and K + ions when heated to certain temperatures, a most essential feature for K + selective filters. The U 60 clusters demonstrate several other features in common with K + ion channels, including passive transport of K + ions, a high flux rate, and the dehydration of U 60 and K + ions. These qualities make U 60 (a pure inorganic cluster) a promising ion channel mimic in an aqueous environment. Laser light scattering (LLS) and isothermal titration calorimetry (ITC) studies revealed that the tailorable ion selectivity of U 60 clusters is a result of the thermal responsiveness of the U 60 hydration shells.

Gao, Yunyi↗
DOE OSTI2019

Direct observation of C 60 - nano-ion gas phase ozonation via ion mobility-mass spectrometry

Improved methods to probe the reactivity of nano-ions, such as C 60 -, would find utility in nanochemistry, combustion chemistry, and in generally understanding the behavior of matter at the nanometer scale. Here, we demonstrate that ion mobility-mass spectrometry (IM-MS) with a low-field differential mobility analyzer can be used to probe nano-ion reaction kinetics. We used the developed IM-MS approach to examine the gas phase reactivity of C 60 - ions with ozone at atmospheric pressure. Experimental results show that ozonation of C 60 - mainly leads to the formation of C 60 O n -. The controlled reaction time within the ion mobility instrument enables calculation of ozonation reaction rates and assuming oxygen atoms are added sequentially, we find that the reaction rate between C 60 - and O 3 is near the collision controlled limit. We propose an exponentially decaying reaction rate coefficient expression to describe ozonation leading to the addition of >20 oxygen atoms. At high ozone concentrations, CO or CO 2 loss from C 60 O n - is additionally observed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Forging Fast Ion Conducting Nanochannels with Swift Heavy Ions: The Correlated Role of Local Electronic and Atomic Structure

Atomically disordered oxides have attracted significant attention in recent years due to the possibility of enhanced ionic conductivity. However, the correlation between atomic disorder, corresponding electronic structure, and the resulting oxygen diffusivity is not well understood. The disordered variants of the ordered pyrochlore structure in gadolinium titanate (Gd 2 Ti 2 O 7 ) are seen as a particularly interesting prospect due to intrinsic presence of a vacant oxygen site in the unit atomic structure, which could provide a channel for fast oxygen conduction. As such, in the present work, we provide insights into the subangstrom scale on the disordering-induced variations in the local atomic environment and its effect on the electronic structure in high-energy ion irradiation-induced disordered nanochannels, which can be utilized as pathways for fast oxygen ion transport. With the help of an atomic plane-by-plane-resolved analyses, the work shows how the presence of various types of TiO$_x$ polyhedral that exist in the amorphous and disordered crystalline phase modify the electronic structures relative to the ordered pyrochlore phase in Gd 2 Ti 2 O 7 . The correlated molecular dynamics simulations on the disordered structures show a remarkable enhancement in oxygen diffusivity as compared with ordered pyrochlore lattice and make that a suitable candidate for applications requiring fast oxygen conduction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Calcium and lithium ion production for laser ion source

Calcium and lithium ion beams are required by NASA Space Radiation Laboratory at Brookhaven National Laboratory to simulate the effects of cosmic radiation. To identify the difficulties in providing such highly reactive materials as laser targets, both species were experimentally tested. Plate shaped lithium and calcium targets were fabricated to create ablation plasmas with a 6 ns 1064 nm neodymium-doped yttrium aluminum garnet laser. We found significant oxygen contamination in both the Ca and Li high charge state beams due to the rapid oxidation of the surfaces. A large spot size, low power density laser was used to create low charge state beams without scanning the targets. The low charge state Ca beam did not have any apparent oxygen contamination, showing the potential to clean the target entirely of oxide with a low power beam once in the chamber. The Li target was clearly still oxidizing in the chamber after each low power shot. To measure the rate of oxidation, we shot the low power laser at the target repeatedly at 10 s, 30 s, 60 s, and 120 s interval lengths, showing a linear relation between the interval time and the amount of oxygen in the beam.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Concomitant ion effects on isotope ratio measurements with liquid sampling – atmospheric pressure glow discharge ion source Orbitrap mass spectrometry

RATIONALE: The field of highly accurate and precise isotope ratio (IR) analysis has been dominated by inductively coupled plasma and thermal ionization mass spectrometers. While these instruments are considered the gold standard for IR analysis, the International Atomic Energy Agency desires a field deployable instrument capable of accurately and precisely measuring U isotope ratios. METHODS: The proposed system interfaces the liquid sampling – atmospheric pressure glow discharge (LS-APGD) ion source with a high resolution Exactive Orbitrap mass spectrometer. With this experimental setup certified U isotope standards and unknown samples were analyzed. The accuracy and precision of the system were then determined. RESULTS: The LS-APGD /Exactive instrument measures a certified reference material of natural U (235U/238U = 0.007258) as 0.007041 with a relative standard deviation of 0.158% meeting the International Target Values for Uncertainty for the destructive analysis of U. Additionally, when three unknowns measured and compared to the results from an ICP multi collector instrument, there is no statistical difference between the two instruments. CONCLUSIONS: The LS-APGD / Orbitrap system, while still in the preliminary stages of development, offers highly accurate and precise IR analysis that suggest a paradigm shift in the world of IR analysis. Furthermore, the portability of the LS-APGD as an elemental ion source combined with the low overhead and small size of the Orbitrap suggest that the instrumentation is capable of being field deployable. With liquid sampling glow discharge-Orbitrap MS, isotope ratio and precision performance improves with rejection of concomitant ion species.

atmospheric pressure sampling↗