Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “IONIZATION”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Thermal ionization induced metal-semiconductor transition and room temperature ferromagnetism in trivalent doped ZnO codoped with lithium

Thermal ionization induced metallic to semiconductor (MST) transition occurring at 460 K for Zn{sub 0.97}Al{sub 0.03}O, 463 K for Zn{sub 0.94}Al{sub 0.03}Li{sub 0.03}O, and 503 K for Zn{sub 0.91}Al{sub 0.03}Li{sub 0.03}Mn{sub 0.03}O has been found in the sol-gel synthesized (using hexamethylenetetramine), trivalent doped (Al, Mn) ZnO codoped with lithium. Increase in the thermally ionized carrier concentration due to Al doping is responsible for near band edge (NBE) peak shift causing Fermi level to move into conduction band making it metallic consistent with resistivity results. Free carrier (thermally activated) neutralization with ionized donor is responsible for semiconducting nature, which is supported from the free carrier screening produced energy shift in the NBE of photoluminescence peak. Furthermore, independently band gap shrinkage is also obtained from UV-Visible studies confirming localization induced MST. An anti-correlation is found between defect density (DLE) and room temperature ferromagnetism (RTFM) indicating intrinsic defects are not directly responsible for RTFM.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Molecular dynamics simulation of Coulomb explosion, melting and shock wave creation in silicon after an ionization pulse

Strong electronic stopping power of swift ions in a semiconducting or insulating substrate can lead to localized electron stripping. The subsequent repulsive interactions among charged target atoms can cause Coulomb explosion. Using molecular dynamics simulation, we simulate Coulomb explosion in silicon by introducing an ionization pulse lasting for different periods, and at different substrate temperatures. We find that the longer the pulse period, the larger the melting radius. The observation can be explained by a critical energy density model assuming that melting required thermal energy density is a constant value and the total thermal energy gained from Coulomb explosion is linearly proportional to the ionization period. Our studies also show that melting radius is larger at higher substrate temperatures. The temperature effect is explained due to a longer structural relaxation above the melting temperature at original ionization boundary due to lower heat dissipation rates. Furthermore, simulations show the formation of shock waves, created due to the compression from the melting core.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Applicability of post-ionization theory to laser-assisted field evaporation of magnetite

Analysis of the mean Fe ion charge state from laser-assisted field evaporation of magnetite (Fe3O4) reveals unexpected trends as a function of laser pulse energy that break from conventional post-ionization theory for metals. For Fe ions evaporated from magnetite, the effects of post-ionization are partially offset by the increased prevalence of direct evaporation into higher charge states with increasing laser pulse energy. Therefore the final charge state is related to both the field strength and the laser pulse energy, despite those variables themselves being intertwined when analyzing at a constant detection rate. Comparison of data collected at different base temperatures also show that the increased prevalence of Fe2+ at higher laser energies is possibly not a direct thermal effect. Conversely, the ratio of 16O+:16O2+ is well-correlated with field strength and unaffected by laser pulse energy on its own, making it a better overall indicator of the field evaporation conditions than the mean Fe charge state. Plotting the normalized field strength versus laser pulse energy also elucidates a non-linear dependence, in agreement with previous observations on semiconductors, that suggests a field-dependent laser absorption efficiency. Together these observations demonstrate that the field evaporation process for laser-pulsed oxides exhibits fundamental differences from metallic specimens that cannot be completely explained by post-ionization theory. Further theoretical studies, combined with detailed analytical observations, are required to understand fully the field evaporation process of non-metallic samples.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2015

Molecular photoelectron angular distribution rotations in multi-photon resonant ionization of H{sub 2}{sup +} by circularly polarized ultraviolet laser pulses

We study effects of pulse durations on molecular photoelectron angular distributions (MPADs) in ultrafast circular polarization ultraviolet resonant ionization processes. Simulations performed on aligned H{sub 2}{sup +} by numerically solving time dependent Schrödinger equations show rotations of MPADs with respect to the molecular symmetry axes. It is found that in multi-photon resonant ionization processes, rotation angles are sensitive to pulse durations, which we attribute to the coherent resonant excitation between the ground state and the intermediate excited electronic state induced by Rabi oscillations. Multi-photon nonresonant and single photon ionization processes are simulated and compared which exhibit a constant rotation angle. An asymmetry parameter is introduced to describe the pulse duration sensitivity by perturbation theory models. Influence of pulse frequency detunings on MPADs is also investigated where oscillations of rotations are absent at long pulse durations due to nonresonance excitation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

The design of double electrostatic-lens optics for resonance enhanced multiphoton ionization and photoelectron imaging experiments

Compared to single ion/electron-optics for velocity-map imaging, a double-focusing lens assembly designed not only allows for mapping velocity imaging of photoelectrons but also allows for investigating the vibrational structure of the intermediate states of neutral species in resonance enhanced multiphoton ionization (REMPI) spectra. In this presentation, in order to record REMPI and photoelectron spectra separately, we have constructed a compact photoelectron velocity-map imaging (VMI) apparatus combined with an opposite linear Wiley-Mclaren time-of-flight mass spectrometer (TOFMS). A mass resolution (m/Δm) of ∼1300 for TOFMS and electron energy resolution (ΔE/E) of 2.4% for VMI have been achieved upon three-photon ionization of Xe atom at 258.00 nm laser wavelength. As a benchmark, in combination of one-color (1 + 1) REMPI and photoelectron imaging of benzene via 6{sup 1} and 6{sup 1}1{sup 1} vibronic levels in the S{sub 1} state, the vibrational structures of the cation and photoelectron angular anisotropy are unraveled. In addition, two-color (1 + 1′) REMPI and photoelectron imaging of aniline was used to complete the accurate measurement of ionization potential (62 271 ± 3 cm{sup −1}). The results suggest that the apparatus is a powerful tool for studying photoionization dynamics in the photoelectron imaging using vibrational-state selected excitation to the intermediate states of neutrals based on REMPI technique.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Field ionization of high-Rydberg fragments produced after inner-shell photoexcitation and photoionization of the methane molecule

We have studied the production of neutral high-Rydberg (HR) fragments from the CH{sub 4} molecule at the C 1s → 3p excitation and at the C 1s ionization threshold. Neutral fragments in HR states were ionized using a pulsed electric field and the resulting ions were mass-analyzed using an ion time-of-flight spectrometer. The atomic fragments C(HR) and H(HR) dominated the spectra, but molecular fragments CH{sub x}(HR), x = 1-3, and H{sub 2}(HR) were also observed. The production of HR fragments is attributed to dissociation of CH{sub 4}{sup +} and CH{sub 4}{sup 2+} ions in HR states. Just above the C 1s ionization threshold, such molecular ionic states are created when the C 1s photoelectron is recaptured after single or double Auger decay. Similar HR states may be reached directly following resonant Auger decay at the C 1s → 3p resonance. The energies and geometries of the parent and fragment ions have been calculated in order to gain insight into relevant dissociation pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Kinetics of chemi-ionization reactions of lanthanide metals (Nd, Sm) from 150 to 450 K

The kinetics of chemi-ionization reactions of neodymium and samarium atoms with an oxygen atom to yield a metal monoxide cation and electron were studied using a flow tube apparatus over a temperature range of 150–450 K. Nd reacts efficiently with O, near the hard-sphere collision limit at all temperatures, with a rate constant of 3 × 10{sup −10} cm{sup 3} s{sup −1} at 300 K and a slight positive temperature dependence. No chemi-ionization of Nd with N{sub 2}O was observed, despite the reaction being exothermic. Chemi-ionization of Sm with O is slow, with a rate constant at 300 K determined to be 7 × 10{sup −12} cm{sup 3} s{sup −1}, although with large uncertainty. The Sm reaction also shows a slightly positive temperature dependence, described by a small activation energy of 60 meV. Although not definitive, the data suggest that excited states of Sm react efficiently whereas ground state Sm reacts inefficiently.

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

Revisiting the thermal effect on shock wave propagation in weakly ionized plasmas

Many researchers have investigated shock propagation in weakly ionized plasmas and observed the following anomalous effects: shock acceleration, shock recovery, shock weakening, shock spreading, and splitting. It was generally accepted that the thermal effect can explain most of the experimental results. However, little attention was paid to the shock recovery. In this paper, the shock wave propagation in weakly ionized plasmas is studied by fluid simulation. It is found that the shock acceleration, weakening, and splitting appear after it enters the plasma (thermal) region. The shock splits into two parts right after it leaves the thermal region. The distance between the splitted shocks keeps decreasing until they recover to one. This paper can explain a whole set of features of the shock wave propagation in weakly ionized plasmas. It is also found that both the shock curvature and the splitting present the same photoacoustic deflection (PAD) signals, so they cannot be distinguished by the PAD experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Measurements of ion velocity separation and ionization in multi-species plasma shocks

The ion velocity structure of a strong collisional shock front in a plasma with multiple ion species is directly probed in laser-driven shock-tube experiments. Thomson scattering of a 263.25 nm probe beam is used to diagnose ion composition, temperature, and flow velocity in strong shocks (M ~ 6) propagating through low-density (ρ ~ 0.1 mg/cc) plasmas composed of mixtures of hydrogen (98%) and neon (2%). Within the preheat region of the shock front, two velocity populations of ions are observed, a characteristic feature of strong plasma shocks. The ionization state of the Ne is observed to change within the shock front, demonstrating an ionization-timescale effect on the shock front structure. In conclusion, the forward-streaming proton feature is shown to be unexpectedly cool compared to predictions from ion Fokker-Planck simulations; the neon ionization gradient is evaluated as a possible cause.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Temperature response of soft ionizable polymer nanoparticles

The temperature response of luminescent ionizable polymers confined into far from equilibrium nanoparticles without chemical links was studied using molecular dynamics simulations. These nanoparticles, often referred to as polydots, are emerging as a promising tool for nanomedicine. Incorporating ionizable groups into these polymers enables biofunctionality; however, they also affect the delicate balance of interactions that hold these nanoparticles together. Here polydots formed by a model polymer dialkyl p-phenylene ethynylene with varying number of carboxylate groups along the polymer backbone were probed. We find that increasing temperature affects neutral and charged polydots differently, where neutral polydots exhibit a transition above which their structure becomes dynamic and they unravel. The dependence of the transition temperature on the surface to volume ratio of these polydots is much stronger than what has previously been observed in polymeric thin films. In conclusion, charged polydots become dynamic enabling migration of the ionizable groups toward the particle interface, while retaining the overall particle shape.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Ionization induced dynamic alignment of water

Two-body dissociation resulting from strong-field double ionization of water is investigated. Two distinct features are seen in the alignment of the fragment momenta with respect to the laser polarization. One feature shows alignment of the H–OH axis with the laser polarization, while the other indicates polarization alignment normal to the H–OH axis. By analyzing kinematic differences between the OH + /D + and OD + /H + channels of HOD, these two alignment features are shown to result from dissociation from different states in the dication. Only dissociation from one of these states has an alignment dependence consistent with predictions of sequential strong-field tunneling ionization models. Finally, the alignment dependence of dissociation from the other state can only be explained by dynamic alignment launched by the unbending of the molecule during ionization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

AlScO 3 perovskite—An ~8 eV bandgap oxide predicted to exhibit low small hole polaron ionization energies and p -type conductivity at elevated temperatures

Here, we investigate electronic structure and dopability of an ultrawide bandgap (UWBG) AlScO 3 perovskite, a known high-pressure and long-lived metastable oxide. From first-principles electronic structure calculations, HSE06(+G 0 W 0 ), we find this material to exhibit an indirect bandgap of around 8.0 eV. Defect calculations point to cation and oxygen vacancies as the dominant intrinsic point defects limiting extrinsic doping. While acceptor behaving Al and Sc vacancies prevent n-type doping, oxygen vacancies permit the Fermi energy to reach ~0.3 eV above the valence band maximum, rendering AlScO 3 p-type dopable. Furthermore, we find that both Mg and Zn could serve as extrinsic p-type dopants. Specifically, Mg is predicted to have achievable net acceptor concentrations of ~10 17 cm -3 with ionization energy of bound small hole polarons of ~0.49 eV and free ones below 0.1 eV. These values place AlScO 3 among the UWBG oxides with lowest bound small hole polaron ionization energies, which, as we find, is likely due to large ionic dielectric constant that correlates well with low hole polaron ionization energies across various UWBG oxides.

14 SOLAR ENERGY↗
DOE OSTI2022

Partial-ionization deconfinement effect in magnetized plasma

In partially ionized plasma, where ions can be in different ionization states, each charge state can be described as a different fluid for the purpose of multi-ion collisional transport. In the case of two charge states, transport pushes plasma toward equilibrium, which is found to be a combination of local charge-state equilibrium and generalized pinch relations between ion fluids representing different charge states. Combined, these conditions lead to a dramatic deconfinement of ions. This deconfinement happens on the timescale similar but not identical to the multi-ion cross-field transport timescale, as opposed to electron–ion transport timescale in fully ionized plasma. Deconfinement occurs because local charge-state equilibration enforces the disparity in diamagnetic drift velocities of ion fluid components, which in turn leads to the cross-field transport due to ion–ion friction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Temporal evolution of the light emitted by a thin, laser-ionized plasma source

We present an experimental and simulation-based investigation of the temporal evolution of light emission from a thin, laser-ionized helium plasma source. We demonstrate an analytic model to calculate the approximate scaling of the time-integrated, on-axis light emission with the initial plasma density and temperature, supported by the experiment, which enhances the understanding of plasma light measurement for plasma wakefield accelerator (PWFA) plasma sources. Our model simulates the plasma density and temperature using a split-step Fourier code and a particle-in-cell code. A fluid simulation is then used to model the plasma and neutral density, and the electron temperature as a function of time and position. We then show the numerical results of the space-and-time-resolved light emission and that collisional excitation is the dominant source of light emission. We validate our model by measuring the light emitted by a laser-ionized plasma using a novel statistical method capable of resolving the nanosecond-scale temporal dynamics of the plasma light using a cost-effective camera with microsecond-scale timing jitter. This method is ideal for deployment in the high radiation environment of a particle accelerator that precludes the use of expensive nanosecond-gated cameras. Our results show that our models can effectively simulate the dynamics of a thin, laser-ionized plasma source. In addition, this work provides a detailed understanding of the plasma light measurement, which is one of the few diagnostic signals available for the direct measurement of PWFA plasma sources.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Fragmentation dynamics of CS 2 dications and trications following S 2p ionization

Here, we present the results from a detailed study of the fragmentation dynamics of CS$_2^{2+}$ and CS$_2^{3+}$, formed in intense femtosecond soft x-ray pulses above the sulfur 2p edge, primarily through single core photoionization from the S 2p site, and subsequent Auger–Meitner decay(s). By combining three-dimensional velocity map imaging with covariance analysis, we determine the relative momenta of the ions produced in each two- and three-body fragmentation channel, at significantly higher ion count rates than conventional coincidence measurements. We shed new light on the wide range of fragmentation channels observed from the CS 2 dication and trication, including channels that involve ionization-induced bond formation and fragmentations producing undetected neutral cofragments. In the latter case, a “native frames” approach is used to isolate contributions from concerted and sequential fragmentations and extract dynamical information about each step of a concerted fragmentation process. While dications often fragment sequentially, the trication is dominated by concerted fragmentation. The main trication fragmentation channel into S + + C + + S + can be well-approximated by classical Coulombic simulations of the ground-state geometry distribution, reflecting both the nature of the trication potential energy surface and the rapid multiple ionization prior to substantial structural dynamics. This study demonstrates ways in which fundamental insights into the fragmentation dynamics of polycations following x-ray ionization may be extracted, which will be beneficial to future studies that employ time-resolved x-ray Coulomb explosion imaging to study ultrafast photochemistry.

Allum, Felix [Deutsches Elektronen-Synchrotron (DE↗
DOE OSTI2015

H ii REGION G46.5-0.2: THE INTERPLAY BETWEEN IONIZING RADIATION, MOLECULAR GAS, AND STAR FORMATION

H ii regions are particularly interesting because they can generate dense layers of gas and dust, elongated columns or pillars of gas pointing toward the ionizing sources, and cometary globules of dense gas where triggered star formation can occur. Understanding the interplay between the ionizing radiation and the dense surrounding gas is very important to explain the origin of these peculiar structures, and hence to characterize triggered star formation. G46.5-0.2 (G46), a poorly studied galactic H ii region located at about 4 kpc, is an excellent target for performing this kind of study. Using public molecular data extracted from the Galactic Ring Survey ({sup 13}CO J = 1–0) and from the James Clerk Maxwell Telescope data archive ({sup 12}CO, {sup 13}CO, C{sup 18}O J = 3–2, HCO{sup +}, and HCN J = 4–3), and infrared data from the GLIMPSE and MIPSGAL surveys, we perform a complete study of G46, its molecular environment, and the young stellar objects (YSOs) placed around it. We found that G46, probably excited by an O7V star, is located close to the edge of the GRSMC G046.34-00.21 molecular cloud. It presents a horse-shoe morphology opening in the direction of the cloud. We observed a filamentary structure in the molecular gas likely related to G46 and not considerable molecular emission toward its open border. We found that about 10′ to the southwest of G46 there are some pillar-like features, shining at 8 μm and pointing toward the H ii region open border. We propose that the pillar-like features were carved and sculpted by the ionizing flux from G46. We found several YSOs likely embedded in the molecular cloud grouped in two main concentrations: one, closer to the G46 open border consisting of Class II type sources, and another mostly composed of Class I type YSOs located just ahead of the pillar-like features, strongly suggesting an age gradient in the YSO distribution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Electron-impact ionization of P-like ions forming Si-like ions

We have calculated electron-impact ionization (EII) for P-like systems from P to Zn{sup 15+} forming Si-like ions. The work was performed using the flexible atomic code (FAC) which is based on a distorted-wave approximation. All 3ℓ → nℓ' (n = 3-35) excitation-autoionization (EA) channels near the 3p direct ionization threshold and 2ℓ → nℓ' (n = 3-10) EA channels at the higher energies are included. Close attention has been paid to the detailed branching ratios. Our calculated total EII cross sections are compared both with previous FAC calculations, which omitted many of these EA channels, and with the available experimental results. Moreover, for Fe{sup 11+}, we find that part of the remaining discrepancies between our calculations and recent measurements can be accounted for by the inclusion of the resonant excitation double autoionization process. Lastly, at the temperatures where each ion is predicted to peak in abundances in collisional ionization equilibrium, the Maxwellian rate coefficients derived from our calculations differ by 50%-7% from the previous FAC rate coefficients, with the difference decreasing with increasing charge.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

The COS/UVES absorption survey of the Magellanic stream. III. Ionization, total mass, and inflow rate onto the Milky Way

Dynamic interactions between the two Magellanic Clouds have flung large quantities of gas into the halo of the Milky Way. The result is a spectacular arrangement of gaseous structures, including the Magellanic Stream, the Magellanic Bridge, and the Leading Arm (collectively referred to as the Magellanic System). In this third paper of a series studying the Magellanic gas in absorption, we analyze the gas ionization level using a sample of 69 Hubble Space Telescope/Cosmic Origins Spectrograph sightlines that pass through or within 30° of the 21 cm emitting regions. We find that 81% (56/69) of the sightlines show UV absorption at Magellanic velocities, indicating that the total cross-section of the Magellanic System is ≈11,000 deg{sup 2}, or around one-quarter of the entire sky. Using observations of the Si III/Si II ratio together with Cloudy photoionization modeling, we calculate the total gas mass (atomic plus ionized) of the Magellanic System to be ≈2.0 × 10{sup 9} M {sub ☉} (d/55 kpc){sup 2}, with the ionized gas contributing around three times as much mass as the atomic gas. This is larger than the current-day interstellar H I mass of both Magellanic Clouds combined, indicating that they have lost most of their initial gas mass. If the gas in the Magellanic System survives to reach the Galactic disk over its inflow time of ∼0.5-1.0 Gyr, it will represent an average inflow rate of ∼3.7-6.7 M {sub ☉} yr{sup –1}, potentially raising the Galactic star formation rate. However, multiple signs of an evaporative interaction with the hot Galactic corona indicate that the Magellanic gas may not survive its journey to the disk fully intact and will instead add material to (and cool) the corona.

79 ASTRONOMY AND ASTROPHYSICS↗