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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Local formation of nitrogen-vacancy centers in diamond by swift heavy ions

We exposed nitrogen-implanted diamonds to beams of swift heavy ions (∼1 GeV, ∼4 MeV/u) and find that these irradiations lead directly to the formation of nitrogen vacancy (NV) centers, without thermal annealing. We compare the photoluminescence intensities of swift heavy ion activated NV{sup −} centers to those formed by irradiation with low-energy electrons and by thermal annealing. NV{sup −} yields from irradiations with swift heavy ions are 0.1 of yields from low energy electrons and 0.02 of yields from thermal annealing. We discuss possible mechanisms of NV center formation by swift heavy ions such as electronic excitations and thermal spikes. While forming NV centers with low efficiency, swift heavy ions could enable the formation of three dimensional NV{sup −} assemblies over relatively large distances of tens of micrometers. Further, our results show that NV center formation is a local probe of (partial) lattice damage relaxation induced by electronic excitations from swift heavy ions in diamond.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Ion extraction from a saddle antenna RF surface plasma source

Existing RF Surface Plasma Sources (SPS) for accelerators have specific efficiencies for H{sup +} and H{sup −} ion generation around 3 to 5 mA/cm{sup 2} per kW, where about 50 kW of RF power is typically needed for 50 mA beam current production. The Saddle Antenna (SA) SPS described here was developed to improve H{sup −} ion production efficiency and SPS reliability and availability. At low RF power, the efficiency of positive ion generation in the plasma has been improved to 200 mA/cm{sup 2} per kW of RF power at 13.56 MHz. Initial cesiation of the SPS was performed by heating cesium chromate cartridges by discharge as was done in the very first versions of the SPS. A small oven to decompose cesium compounds and alloys was developed and tested. After cesiation, the current of negative ions to the collector was increased from 1 mA to 10 mA with RF power ∼1.5 kW in the plasma (6 mm diameter emission aperture) and up to 30 mA with ∼4 kW RF power in the plasma and 250 Gauss longitudinal magnetic field. The ratio of electron current to negative ion current was improved from 30 to 2. Stable generation of H{sup −} beam without intensity degradation was demonstrated in the AlN discharge chamber for a long time at high discharge power in an RF SPS with an external antenna. Continuous wave (CW) operation of the SA SPS has been tested on the small test stand. The general design of the CW SA SPS is based on the pulsed version. Some modifications were made to improve the cooling and cesiation stability. The extracted collector current can be increased significantly by optimizing the longitudinal magnetic field in the discharge chamber. CW operation with negative ion extraction was tested with RF power up to 1.8 kW from the generator (∼1.2 kW in the plasma) with production up to Ic=7 mA. Long term operation was tested with 1.2 kW from the RF generator (∼0.8 kW in the plasma) with production of Ic=5 mA, Iex ∼15 mA (Uex=8 kV, Uc=14 kV)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Complexation of lanthanides and other metal ions by the polypyridyl ligand quaterpyridine: Relation between metal ion size, chelate ring size, and complex stability

Metal ion complexing properties of the ligand QPY (2,2':6',2'':6'',2'''-quaterpyridine) are reported in relation to its possible use as a functional group for reagents in the extraction and separation of Ln(III) (lanthanide) ions. QPY is almost totally insoluble in water, but variation of the intense π-π* transitions in the UV spectrum of 1 × 10 –5 M QPY solutions in 50% CH 3 OH/H 2 O (v/v) as a function of pH or metal ion concentration allowed for the determination of the protonation constant (pK) and log K 1 values with metal ions. The pK a values of QPY are 4.54 ± 0.02 and 3.47 ± 0.02 in 50% CH 3 OH/H 2 O. The log K 1 values determined by UV–visible spectroscopy for the Ln(III) ions by titration of 1:1 solutions of 1.0 × 10­ 5 M Ln(III) ion and QPY between pH 2 and 6 were: La(III), 3.79; Pr(III), 4.34; Nd(III) 4.57; Sm(III), 4.78; Gd(III) 4.69; Dy(III), 4.76, Ho(III), 4.94; Er(III), 5.36, Tm(III), 5.84, and Lu(III) 5.54, all at 25 °C and ionic strength zero. The log K 1 values for the Ln(III) ions show quite strong increases from La(III) to Lu(III), with a local maximum at Sm(III), and a local minimum at Gd(III). The local maxium at Sm(III) is attributed to this ion being the best-fit size for coordinating with polypyridyl ligands. The effect of preorganization of polypyridyls such as QPY with bridging benzo groups in the ligand backbone to yield DPP (2,9-dipyrid-2-yl-1,10-phenanthroline) is to produce significant increases in log K 1 for large metal ions such as Ln(III) ions, but for small metal ions such as Zn(II), there is a large decrease in log K 1 in passing from QPY to DPP: this shows how rigidification of the ligand can enhance the selectivity against small metal ions of polypyridyls forming five-membered chelate rings. DFT calculations are used to analyze the variation in log K 1 in passing from the La(III) complexes of QPY to DPP compared to those for the smaller Lu(III) ion.

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

An implicit δf particle-in-cell method with sub-cycling and orbit averaging for Lorentz ions

A second order implicit δf Lorentz ion hybrid model with sub-cycling and orbit averaging has been developed to study low-frequency, quasi-neutral plasmas. Models using the full Lorentz force equations of motion for ions may be useful for verifying gyrokinetic ion simulation models in applications where higher order terms may be important. In the presence of a strong external magnetic field, previous Lorentz ion models are limited to simulating very short time scales due to the small time step required for resolving the ion gyromotion. Here, we use a simplified model for ion Landau damped ion acoustic waves in a uniform magnetic field as a test bed for developing efficient time stepping methods to be used with the Lorentz ion hybrid model. A detailed linear analysis of the model is derived to validate simulations and to examine the significance of ion Bernstein waves in the Lorentz ion model. Linear analysis of a gyrokinetic ion model is also performed, and excellent agreement with the dispersion results from the Lorentz ion model is demonstrated for the ion acoustic wave. The sub-cycling/orbit averaging algorithm is shown to produce accurate finite-Larmor-radius effects using large macro-time steps sizes, and numerical damping of high frequency fluctuations can be achieved by formulating the field model in terms of the perturbed flux density. Furthermore, a CPU–GPU implementation of the sub-cycling/orbit averaging is presented and is shown to achieve a significant speedup over an equivalent serial code.

Computer Science↗
DOE OSTI2015

Todorokite-type manganese oxide nanowires as an intercalation cathode for Li-ion and Na-ion batteries

Extended hydrothermal treatment at an elevated temperature of 220 °C allowed high yield synthesis of manganese oxide nanowires with a todorokite crystal structure suitable for ions intercalation. The flexible, high aspect ratio nanowires are 50–100 nm in diameter and up to several microns long, with 3 × 3 structural tunnels running parallel to the nanowire longitudinal axis. Moreover, the tunnels are occupied by magnesium ions and water molecules, with the chemical composition found to be Mg 0.2 MnO 2 ·0.5H 2 O. The todorokite nanowires were, for the first time, electrochemically tested in both Li-ion and Na-ion cells. A first discharge capacity of 158 mA h g -1 was achieved in a Na-ion system, which was found to be greater than the first discharge capacity in a Li-ion system (133 mA h g -1 ). In spite of the large structural tunnel dimensions, todorokite showed a significant first cycle capacity loss in a Na-ion battery. After 20 cycles, the capacity was found to stabilize around 50 mA h g -1 and remained at this level for 100 cycles. In a Li-ion system, todorokite nanowires showed significantly better capacity retention with 78% of its initial capacity remaining after 100 cycles. Rate capability tests also showed superior performance of todorokite nanowires in Li-ion cells compared to Na-ion cells at higher current rates. Finally, these results highlight the difference in electrochemical cycling behavior of Li-ion and Na-ion batteries for a host material with spacious 3 × 3 tunnels tailored for large Na + ion intercalation.

25 ENERGY STORAGE↗
DOE OSTI2019

Ion beam sputtering of silicon: Energy distributions of sputtered and scattered ions

The properties of sputtered and scattered ions are studied for ion beam sputtering of Si by bombardment with noble gas ions. The energy distributions in dependence on ion beam parameters (ion energy: 0.5-1 keV; ion species: Ne, Ar, Xe) and geometrical parameters (ion incidence angle, polar emission angle, and scattering angle) are measured by means of energy-selective mass spectrometry. The presence of anisotropic effects due to direct sputtering and scattering is discussed and correlated with process parameters. The experimental results are compared to calculations based on a simple elastic binary collision model and to simulations using the Monte-Carlo code SDTRIMSP . The influence of the contribution of implanted primary ions on energy distributions of sputtered and scattered particles is studied in simulations. It is found that a 10% variation of the target composition leads to detectable but small differences in the energy distributions of scattered ions. Comparison with previously reported data for other ion/target configurations confirms the presence of similar trends and anisotropic effects: The number of high-energy sputtered ions increases with increasing energy of incident ions and decreasing scattering angle. The effect of the ion/target mass ratio is additionally investigated. Small differences are observed with the change of the primary ion species: The closer the mass ratio to unity, the higher the average energy of sputtered ions. Finally, the presence of peaks, assigned to different mechanisms of direct scattering, strongly depends on the ion/target mass ratio.

42 ENGINEERING↗
DOE OSTI2018

All that is silver is not toxic: silver ion and particle kinetics reveals the role of silver ion aging and dosimetry on the toxicity of silver nanoparticles

When suspended in cell culture medium, nano-objects composed of soluble metals such as silver can dissolve resulting in ion formation, altered particle properties (e.g. mass, morphology, etc.), and modulated cellular dose. Cultured cells are exposed not just to nanoparticles but to a complex, dynamic mixture of altered nanoparticles, free ions, and ion-ligand complexes. Here, three different cell types (RAW 264.7 macrophages and bone marrow derived macrophages from wild-type C57BL/6J mice and Scavenger Receptor A deficient (SR-A (-/-) ) mice) were exposed to 20 and 110 nm silver nanoparticles, and RAW 264.7 cells were exposed to freshly mixed silver ions, aged silver ions (ions incubated in cell culture medium), and ions formed from nanoparticle dissolution. The In Vitro Sedimentation, Diffusion, Dissolution, and Dosimetry Model (ISD3) was used to predict dose metrics for each exposure scenario. Silver nanoparticles, freshly mixed ions, and ions from nanoparticle dissolution were toxic, while aged ions were not toxic. Macrophages from SR-A (-/-) mice did not take up 20 nm silver nanoparticles as well as wild-types but demonstrated no differences in silver levels after exposure to 110 nm nanoparticles. Dose response modeling with ISD3 predicted dose metrics suggest that amount of ions in cells and area under the curve (AUC) of ion amount in cells are the most predictive of cell viability after nanoparticle and combined nanoparticle/dissolution-formed-ions exposures, respectively. Results of this study suggest that the unbound silver cation is the ultimate toxicant, and ions formed extracellularly drive toxicity after exposure to nanoparticles. Applying computational modeling (ISD3) to better understand dose metrics for soluble nanoparticles allows for better interpretation of in vitro hazard assessments.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1998

Ion-Molecule Reactions and Ion Kinetics in DC Townsend Discharges in Dielectric Gases

In gas discharges the identify, transport, relative intensities, and kinetic energy distributions (KEDs) of ions may be dominated by ion-molecule reactions. In order to understand these discharges, there is a need for cross section data for various ion-molecule reactions, including symmetric and asymmetric charge-transfer, collisional detachment, and ion conversion reactions, especially for low to intermediate ion-impact energies. In view of the importance of dielectric gases, we have recently measured the KEDs of various positive and negative ions produced in DC Townsend discharges in SF6, CF4, CHF3, O2, and CO2. The relative abundance and mean energies of ions are obtained from the measured KEDs. The effective cross sections (Qeff) describing the KEDs of various ions can be derived by using the mean ion energies and the electric field-to-gas density ratios (E/N). In the case of SF6 and O2 discharges, the determined cross sections (Qeff) for the negative-ion molecule reactions are consistent with previously measured cross section data obtained by crossed-beam experiment. The availability of these cross section values enabled us to understand the ion data reasonably well. However, the lack of adequate cross section data for positive ions in all of the above gases is a major obstacle in understanding ion transport in these gas discharges.

Rao, M. V. V. S.↗
NASA NTRS2006

Are Ring Current Ions Lost in Electromagnetic Ion Cyclotron Wave Dispersion Relation?

Electromagnetic ion cyclotron (EMIC) waves are widely observed in the inner and outer magnetosphere, at geostationary orbit, at high latitudes along the plasmapause, and at the ionospheric altitudes. Interaction of the Ring Current (RC) ions and EMIC waves causes ion scattering into the loss cone and leads to decay of the RC, especially during the main phase of storms when the RC decay times of about one hour or less are observed. The oblique EMIC waves damp due to Landau resonance with the thermal plasmaspheric electrons, and subsequent transport of the dissipating wave energy into the ionosphere below causes an ionosphere temperature enhancement. Induced scattering of these waves by the plasmaspheric thermal ions leads to ion temperature enhancement, and forms a so-called hot zone near the plasmapause where the temperature of core plasma ions can reach tens of thousands of degrees. Relativistic electrons in the outer radiation belt also interact well with the EMIC waves, and during the main and/or recovery phases of the storms these electrons can easily be scattered into the loss cone over a time scale from several hours to a day. The plasma density distribution in the magnetosphere and the ion content play a critical role in EMIC wave generation and propagation, but the wave dispersion relation in the known RC-EMIC wave interaction models is assumed to be determined by the thermal plasma distribution only. In these models, the modification of the EMIC wave dispersion relation caused by the RC ions is not taken into account, and the RC ions are only treated as a source of free energy in order to generate EMIC waves. At the same time, the RC ions can dominate the thermal magnetospheric content in the night MLT sector at great L shells during the main and/or recovery storm phase. In this study, using our self-consistent RC-EMIC wave model [Khazanov et al., 2006], we simulate the May 1998 storm in order to quantify the global EMIC wave redistribution caused by taking into account the RC ions in the EMIC wave dispersion relation. The dramatic wave pattern redistribution is observed in the postdusk-predawn MLT sector (night sector) for L greater than 5. We found the intense EMIC waves (about a few nT) there during the main and early recovery phases of the storm. The observed wave generation in this sector is caused by taking into account the EMIC wave dispersion change due to the RC ions. There are no waves at these locations in our model if the RC ions are taken into account in the wave growth rate only, and the wave dispersion relation is only governed by the thermal plasmaspheric model.

Khazanov, G. V.↗
NASA NTRS2006

Effect of Ring Current Ions on Electromagnetic Ion Cyclotron Wave Dispersion Relation

Electromagnetic ion cyclotron (EMIC) waves are widely observed in the inner and outer magnetosphere, at geostationary orbit, at high latitudes along the plasmapause, and at the ionospheric altitudes. Interaction of the Ring Current (RC) ions and EMIC waves causes ion scattering into the loss cone and leads to decay of the RC, especially during the main phase of storms when the RC decay times of about one hour or less are observed. The oblique EMIC waves damp due to Landau resonance with the thermal plasmaspheric electrons, and subsequent transport of the dissipating wave energy into the ionosphere below causes an ionosphere temperature enhancement. Induced scattering of these waves by the plasmaspheric thermal ions leads to ion temperature enhancement, and forms a so-called hot zone near the plasmapause where the temperature of core plasma ions can reach tens of thousands of degrees. Relativistic electrons in the outer radiation belt also interact well with the EMIC waves, and during the main and/or recovery phases of the storms these electrons can easily be scattered into the loss cone over a time scale from several hours to a day. The plasma density distribution in the magnetosphere and the ion content play a critical role in EMIC wave generation and propagation, but the wave dispersion relation in the known RC-EMIC wave interaction models is assumed to be determined by the thermal plasma distribution only. In these models, the modification of the EMIC wave dispersion relation caused by the RC ions is not taken into account, and the RC ions are only treated as a source of free energy in order to generate EMIC waves. At the same time, the RC ions can dominate the thermal magnetospheric content in the night MLT sector at great L shells during the main and/or recovery storm phase. In this study, using our self-consistent RC-EMIC wave model [Khazanov et al., 2006], we simulate the May 1998 storm in order to quantify the global EMIC wave redistribution caused by taking into account the RC ions in the EMIC wave dispersion relation. The dramatic wave pattern redistribution is observed in the postdusk-predawn MLT sector (night sector) for L greater than 5. We found the intense EMIC waves (about a few nT) there during the main and early recovery phases of the storm. The observed wave generation in this sector is caused by taking into account the EMIC wave dispersion change due to the RC ions. There are no waves at these locations in our model if the RC ions are taken into account in the wave growth rate only, and the wave dispersion relation is only governed by the thermal plasmaspheric model.

Gamayunov, K. V.↗
DOE OSTI2018

A Simple Analytical Model for Predicting the Detectable Ion Current in Ion Mobility Spectrometry Using Corona Discharge Ionization Sources

Corona discharge ionization sources are often used in ion mobility spectrometers (IMS) when a non-radioactive ion source with high ion currents is required. Typically, the corona discharge is followed by a reaction region where analyte ions are formed from the reactant ions. In this work, we present a simple yet sufficiently accurate model for predicting the ion current available at the end of this reaction region when operating at reduced pressure as in High Kinetic Energy Ion Mobility Spectrometers (HiKE-IMS) or most IMS-MS instruments. It yields excellent qualitative agreement with measurement results and is even able to calculate the ion current within an error of 15%. Additional interesting findings of this model are the ion current at the end of the reaction region being independent from the ion current generated by the corona discharge and the ion current in High Kinetic Energy Ion Mobility Spectrometers (HiKE-IMS) growing quadratically when scaling down the length of the reaction region. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Beyond Ion Migration in Metal Halide Perovskites: Toward a Broader Photoelectrochemistry Perspective

Ion migration is a broad term used to account for the degradation of halide perovskite materials and devices. However, ion mobility is only one piece of the full picture-mobile ions/defects are first created, then transported, and eventually annihilated or immobilized. In this Perspective, we summarize emerging work that shows how tractable photochemical and Faradaic reactions provide a continuous source of ions to migrate. Furthermore, we discuss strategies to fundamentally manipulate ion migration by targeting specific electrochemical and reduction/oxidation mechanisms. This highlights the important role of defect photoelectrochemistry, as well as the soft nature of the perovskite lattice, in ion migration and self-healing. We conclude that distinguishing more detailed processes involved in “ion migration”, with an emerging focus on the reactions that form mobile ionic defects, is necessary to greatly improve the stability of devices and open up more technological applications.

defects↗
DOE OSTI2016

Spin orientations of the spin-half Ir{sup 4+} ions in Sr{sub 3}NiIrO{sub 6}, Sr{sub 2}IrO{sub 4}, and Na{sub 2}IrO{sub 3}: Density functional, perturbation theory, and Madelung potential analyses

The spins of the low-spin Ir{sup 4+} (S = 1/2, d{sup 5}) ions at the octahedral sites of the oxides Sr{sub 3}NiIrO{sub 6}, Sr{sub 2}IrO{sub 4}, and Na{sub 2}IrO{sub 3} exhibit preferred orientations with respect to their IrO{sub 6} octahedra. We evaluated the magnetic anisotropies of these S = 1/2 ions on the basis of density functional theory (DFT) calculations including spin-orbit coupling (SOC), and probed their origin by performing perturbation theory analyses with SOC as perturbation within the LS coupling scheme. The observed spin orientations of Sr{sub 3}NiIrO{sub 6} and Sr{sub 2}IrO{sub 4} are correctly predicted by DFT calculations, and are accounted for by the perturbation theory analysis. As for the spin orientation of Na{sub 2}IrO{sub 3}, both experimental studies and DFT calculations have not been unequivocal. Our analysis reveals that the Ir{sup 4+} spin orientation of Na{sub 2}IrO{sub 3} should have nonzero components along the c- and a-axis directions. The spin orientations determined by DFT calculations are sensitive to the accuracy of the crystal structures employed, which is explained by perturbation theory analyses when interactions between adjacent Ir{sup 4+} ions are taken into consideration. There are indications implying that the 5d electrons of Na{sub 2}IrO{sub 3} are less strongly localized compared with those of Sr{sub 3}NiIrO{sub 6} and Sr{sub 2}IrO{sub 4}. This implication was confirmed by showing that the Madelung potentials of the Ir{sup 4+} ions are less negative in Na{sub 2}IrO{sub 3} than in Sr{sub 3}NiIrO{sub 6} and Sr{sub 2}IrO{sub 4}. Most transition-metal S = 1/2 ions do have magnetic anisotropies because the SOC induces interactions among their crystal-field split d-states, and the associated mixing of the states modifies only the orbital parts of the states. This finding cannot be mimicked by a spin Hamiltonian because this model Hamiltonian lacks the orbital degree of freedom, thereby leading to the spin-half syndrome. The spin-orbital entanglement for the 5d spin-half ions Ir{sup 4+} is not as strong as has been assumed.

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

In Situ TEM Multi-Beam Ion Irradiation as a Technique for Elucidating Synergistic Radiation Effects

Materials designed for nuclear reactors undergo microstructural changes resulting from a combination of several environmental factors, including neutron irradiation damage, gas accumulation and elevated temperatures. Typical ion beam irradiation experiments designed for simulating a neutron irradiation environment involve irradiating the sample with a single ion beam and subsequent characterization of the resulting microstructure, often by transmission electron microscopy (TEM). This method does not allow for examination of microstructural effects due to simultaneous gas accumulation and displacement cascade damage, which occurs in a reactor. Sandia’s in situ ion irradiation TEM (I3TEM) offers the unique ability to observe microstructural changes due to irradiation damage caused by concurrent multi-beam ion irradiation in real time. This allows for time-dependent microstructure analysis. A plethora of additional in situ stages can be coupled with these experiments, e.g., for more accurately simulating defect kinetics at elevated reactor temperatures. This work outlines experiments showing synergistic effects in Au using in situ ion irradiation with various combinations of helium, deuterium and Au ions, as well as some initial work on materials utilized in tritium-producing burnable absorber rods (TPBARs): zirconium alloys and LiAlO2.

Taylor, Caitlin↗
DOE OSTI2015

Laser-cooled atomic ions as probes of molecular ions

Trapped laser-cooled atomic ions are a new tool for understanding cold molecular ions. The atomic ions not only sympathetically cool the molecular ions to millikelvin temperatures, but the bright atomic ion fluorescence can also serve as a detector of both molecular reactions and molecular spectra. We are working towards the detection of single molecular ion spectra by sympathetic heating spectroscopy. Sympathetic heating spectroscopy uses the coupled motion of two trapped ions to measure the spectra of one ion by observing changes in the fluorescence of the other ion. Sympathetic heating spectroscopy is a generalization of quantum logic spectroscopy, but does not require ions in the motional ground state or coherent control of the ion internal states. We have recently demonstrated this technique using two isotopes of Ca{sup +} [Phys. Rev. A, 81, 043428 (2010)]. Limits of the method and potential applications for molecular spectroscopy are discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

Radiation damage in heteroepitaxial BaTiO{sub 3} thin films on SrTiO{sub 3} under Ne ion irradiation

The microstructure evolution of heteroepitaxial BaTiO{sub 3} (BTO) thin films grown on single crystal (001) SrTiO{sub 3} (STO) under Ne irradiation at room temperature was systematically investigated with special attention given to the behavior at the BTO/STO interface. Cross sectional transmission electron microscope investigations reveal that amorphization occurs at the top BTO film region. BTO grains in the dimensions of 10-20 nm survived the irradiation damage and maintained their original crystal orientation. Other irradiation-induced defects such as dislocation loops and defect clusters were observed only at the portion of the BTO thin film near the interface, but not at the STO side of the bilayer. Atomic calculations find that the energetics of defects are very similar on each side of the BTO/STO interface, suggesting that the interface will not significantly modify radiation damage evolution in this system, in agreement with the experimental observations. These results support the hypothesis we presented in previous work about the role of coherent interfaces on radiation damage evolution.

36 MATERIALS SCIENCE↗