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At least 217 records · Page 12

The Role of Complex Ionized Absorber in the Soft X-ray Spectra of Intermediate Polars

In magnetic Cataclysmic Variables (mCVs), X-ray radiation originates from the shock heated multi-temperature plasma in the post-shock region near the white dwarf surface. These X-rays are modified by a complex distribution of absorbers in the pre-shock region. The presence of photo-ionized lines and warm absorber features in the soft X-ray spectra of these mCVs suggests that these absorbers are ionized. We developed the ionized complex absorber model zxipab, which is represented by a power-law distribution of ionized absorbers in the pre-shock ow. Using the ionized absorber model zxipab along with a cooling ow model and a reflection component, we model the broadband Chandra/HETG and NuSTAR spectra of two IPs: NY Lup and V1223 Sgr. We nd that this model describes well many of the H and He like emission lines from medium Z elements, which arises from the collisionally excited plasma. However the model fails to account for some of the He like triplets from medium Z elements, which points towards its photo-ionization origin. We do not find a compelling evidence for a blackbody component to model the soft excess seen in the residuals of the Chandra/HETG spectra, which could be due to the uncertainties in estimation of the interstellar absorption of these sources using Chandra/HETG data and/or excess fluxes seen in some photo-ionized emission lines which are not accounted by the cooling ow model. We describe the implications of this model with respect to the geometry of the pre-shock region in these two IPs

Nazma Islam Syeda↗

Moss Tolerance of Deep Space-Like Ionizing Radiation, Singular or Combined With Spaceflight Microgravity-Preparation for the BRIC-27 Experiment to the ISS

Understanding how terrestrial life perceives and tolerates deep space environments is essential to advancing human space exploration missions and searching for life beyond our solar system. Throughout evolution moss adapted to living in extreme environments from the edge of habitability. Moss inhabits areas with high UVB/UVC photon levels such as polar regions subject to ozone holes, high elevation mountain environments, and sites with elevated ionizing particle levels such as those found at nuclear plant accident sites, atomic bomb test sites or radioactive element-rich regions. We investigate if moss tolerance of ionizing radiation encounter terrestrially extends to resistance to deep space ionizing radiation. We exposed moss to high energy ion beams simulating Galactic Cosmic Ray (GCRSim) and Solar Particle Event (SPESim) (NSRL, BNL) that permeate deep space, and moss was unharmed. We also exposed moss to high doses of gamma rays as released in astrophysical events, and moss survived absorption of extremely high doses. Next, we ask if moss tolerance of deep space-like ionizing radiation observed terrestrially differs from that in other deep space environments. In the upcoming BRIC-27 spaceflight experiment we will sequentially expose Antarctic moss C.purpureus to GCRSim and SPESim followed by exposure to spaceflight microgravity and compare gene expression profiles in deep space-like ionizing radiation, singular or combined with spaceflight microgravity. Additionally, we will compare gene expression profiles in spaceflight microgravity, singular or combined with deep space-like ionizing radiation. Hence, BRIC-27 will advance our understanding of the combined effects of both deep space ionizing radiation and microgravity, which may have different and more profound effects on plant physiology and performance than each condition separately.

Agata Klaudia Zupanska↗

Bond Dissociation Energy, Ionization Energy, and Electronic Structure of Thorium Dimer

Diatomic thorium, Th 2 , has been investigated using a laser ablation, supersonic expansion source to produce the molecule and resonant two-photon ionization spectroscopy to measure its bond dissociation energy (BDE) and ionization energy (IE). The molecule has a high density of states in the vicinity of its bond dissociation energy, leading to rapid predissociation as soon as this energy is exceeded. The BDE is identified from this predissociation threshold as D 0 (Th 2 ) = 2.857(7) eV, where the assigned error limit is provided in parentheses in units of the last quoted digit. Similarly, the one-photon ionization threshold has been measured, providing the ionization energy IE(Th 2 ) = 5.042(4) eV. Together with a thermochemical cycle and the atomic ionization energy, these values provide the BDE of the cation, giving D 0 (Th 2 + ) = 4.122(8) eV. Computations show that Th 2 has three nearly degenerate low-lying electronic states (1 3 Σ u + , 1 1 Σ g + , and 1 3 Δ g ) with bonding dominated by 7s and 6d orbitals, indicating predominantly transition-metal-like behavior. The 1 3 Σ u + state exhibits a triple bond, whereas the 1 1 Σ g + and 1 3 Δ g states possess quadruple-bond character and correspondingly shorter bonds. Although 1 3 Σ u + is predicted to be the lowest state without spin–orbit coupling, the large spin–orbit stabilization of the 1 3 Δ g state makes its Ω = 1 g component the ground state. Furthermore, the calculated dissociation energy (2.840 eV) and ionization energy of Th 2 (5.098 eV) are both in excellent agreement with experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electronic states and transitions of PrO and PrO + probed by threshold ionization spectroscopy and spin–orbit multiconfiguration perturbation theory

The precise ionization energy of praseodymium oxide (PrO) seeded in supersonic molecular beams is measured with mass-analyzed threshold ionization (MATI) spectroscopy. Here, a total of 33 spin–orbit (SO) states of PrO and 23 SO states of PrO + are predicted by second-order multiconfigurational quasi-degenerate perturbation (MCQDPT2) theory. Electronic transitions from four low-energy SO levels of the neutral molecule to the ground state of the singly charged cation are identified by combining the MATI spectroscopic measurements with the MCQDPT2 calculations. The precise ionization energy is used to reassess the ionization energies and the reaction enthalpies of the Pr + O → PrO + + e – chemi-ionization reaction reported in the literature. An empirical formula that uses atomic electronic parameters is proposed to predict the ionization energies of lanthanide monoxides, and the empirical calculations match well with available precise experimental measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Open Port Sampling Interface for Liquid Introduction Atmospheric Pressure Ionization Mass Spectrometry

RATIONALE: A simple method to introduce unprocessed samples into a solvent for rapid characterization by liquid introduction atmospheric pressure ionization mass spectrometry has been lacking. The continuous flow, self-cleaning open port sampling interface introduced here fills this void. METHODS: The open port sampling interface used a vertically aligned, co-axial tube arrangement enabling solvent delivery to the sampling end of the device through the tubing annulus and solvent aspiration down the center tube and into the mass spectrometer ionization source via the commercial APCI emitter probe. The solvent delivery rate to the interface was set to exceed the aspiration rate creating a continuous sampling interface along with a constant, self-cleaning spillover of solvent from the top of the probe. RESULTS: Using the open port sampling interface with positive ion mode APCI and a hybrid quadrupole time of flight mass spectrometer, rapid, direct sampling and analysis possibilities are exemplified with plastics, ballpoint and felt tip ink pens, skin, and vegetable oils. These results demonstrated that the open port sampling interface could be used as a simple, versatile and self-cleaning system to rapidly introduce multiple types of unprocessed, sometimes highly concentrated and complex, samples into a solvent flow stream for subsequent ionization and analysis by mass spectrometry. The basic setup presented here could be incorporated with any self-aspirating liquid introduction ionization source (e.g., ESI, APCI, APPI, ICP, etc.) or any type of atmospheric pressure sampling ready mass spectrometer system. CONCLUSIONS: The open port sampling interface provides a means to introduce and quickly analyze unprocessed solid or liquid samples with liquid introduction atmospheric pressure ionization source without fear of sampling interface or ionization source contamination.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Propagator quantum chemical study of S-cis-(Z)-2-(2-formylethenyl)pyrrole: electronic structure and aspects of intramolecular hydrogen bond manifestation in ionization spectra

For the purpose of investigation of the electronic structures of functionalized pyrroles with potential biological activity the electronic structures and ionization spectra of S-cis-(Z)-2-(2-formylethenyl)pyrrole (FP) were calculated by the propagator quantum chemical method. The calculations were performed using the third-order algebraic diagrammatic construction method (ADC(3)) for one-particle Green´s function (electronic propagator) and the 6–31G** basis set. Going from FP (possessing the intramolecular hydrogen bond H⋯O) to its conformation FPR (without H⋯O bonding), the O1s-ionization energy and the ionization energy of the σ-type lone electron pair orbital of the O atom decrease by ~0.2 eV, which is a consequence of stopping the electron density transfer from the O atom. A strong electron density transfer through the hydrogen bond from the O atom to the NH group occurs in the nitrogen core level ionization spectrum as evidenced by a lower N1s-ionization energy of FP (by ~0.7 eV ) compared to that of FPR. The valence shell ionization spectra of FP and FPR calculated using the ADC(3) method are characterized by a high density of the satellite states. The results obtained indicate that the electronic structures of the compounds of the considered class are characterized by pronounced effects of electron correlation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Physical Principles of Creation of Ionization Channels in the Atmosphere Under cw and Pulsed Laser Irradiation

Works are analyzed from which the possibility follows of ionization of the atmosphere upon exposure to laser radiation to develop laser antennas and systems of protection from lightning. Various effects leading to increased ionization of air in the pre-breakdown regime are considered, including photo- and thermal ionization, electroionization, surface ionization, chemical reactions, etc. together with the main ionization mechanism – laser breakdown of the atmosphere. The laser radiation parameters necessary for realization of the ionization channel in the atmosphere are estimated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Caspase-independent cell death mediated by apoptosis-inducing factor (AIF) nuclear translocation is involved in ionizing radiation induced HepG2 cell death

Hepatocellular carcinoma (HCC) is the fifth most common cancer in the world. The aim of radiotherapy is to eradicate cancer cells with ionizing radiation. Except for the caspase-dependent mechanism, several lines of evidence demonstrated that caspase-independent mechanism is directly involved in the cell death responding to irradiation. For this reason, defining the contribution of caspase-independent molecular mechanisms represents the main goal in radiotherapy. In this study, we focused on the role of apoptosis-inducing factor (AIF), the caspase-independent molecular, in ionizing radiation induced hepatocellular carcinoma cell line (HepG2) cell death. We found that ionizing radiation has no function on AIF expression in HepG2 cells, but could induce AIF release from the mitochondria and translocate into nuclei. Inhibition of AIF could reduce ionizing radiation induced HepG2 cell death. These studies strongly support a direct relationship between AIF nuclear translocation and radiation induced cell death. What's more, AIF nuclear translocation is caspase-independent manner, but not caspase-dependent manner, in this process. These new findings add a further attractive point of investigation to better define the complex interplay between caspase-independent cell death and radiation therapy. - Highlights: • AIF nuclear translocation is involved in ionizing radiation induced hepatocellular carcinoma cell line HepG2 cell death. • AIF mediated cell death induced by ionizing radiation is caspase-independent. • Caspase-independent pathway is involved in ionzing radiation induced HepG2 cell death.

60 APPLIED LIFE SCIENCES↗

Laser-driven ionization mechanisms of aluminum for single particle aerosol mass spectrometry

Single particle aerosol mass spectrometry (SPAMS), an analytical technique for measuring the size and composition of individual micron-scale particles, is capable of analyzing atmospheric pollutants and bioaerosols much more efficiently and with more detail than conventional methods which require the collection of particles onto filters for analysis in the laboratory. Despite SPAMS’ demonstrated capabilities, the primary mechanisms of ionization are not fully understood, which creates challenges in optimizing and interpreting SPAMS signals. In this paper, we present a well-stirred reactor model for the reactions involved with the laser-induced vaporization and ionization of an individual particle. The SPAMS conditions modeled in this paper include a 248 nm laser which is pulsed for 8 ns to vaporize and ionize each particle in vacuum. The ionization of 1 μm, spherical Al particles was studied by approximating them with a 0-dimensional plasma chemistry model. The primary mechanism of absorption of the 248 nm photons was pressure-broadened direct photoexcitation to Al(y 2 D). Atoms in this highly excited state then undergo superelastic collisions with electrons, heating the electrons and populating the lower energy excited states. We found that the primary ionization mechanism is electron impact ionization of various excited state Al atoms, especially Al(y 2 D). Because the gas expands rapidly into vacuum, its temperature decreases rapidly. The rate of three-body recombination (e - + e - + Al + → Al + e - ) increases at low temperature, and most of the electrons and ions produced recombine within several μs of the laser pulse. The importance of the direct photoexcitation indicates that the relative peak heights of different elements in SPAMS mass spectra may be sensitive to the available photoexcitation transitions. We also discuss the effects of laser intensity, particle diameter, and expansion dynamics.

47 OTHER INSTRUMENTATION↗

Discrepancies between Theory and Experiment in Determining the Ionization Energy of NF 3

High-accuracy ab initio thermochemical predictions for the ionization energy of NF 3 , the barrier height (to inversion) of NF 3 + , and the dissociative ionization threshold of NF 3 to NF 2 + + F are presented and incorporated into Active Thermochemical Tables. The adiabatic ionization energy of the first ionization band of NF 3 , calculated at 12.647 ± 0.010 eV, is at odds with previous experimental interpretations by nearly 0.36 eV due to unfavorable Franck-Condon factors associated with this transition. The barrier (to inversion) height is calculated to be about 0.6 eV lower in energy than the prior interpretation, which instigates a discussion of the supposed vibrational structure of the first ionization band of NF 3 . Updated assignments of the photoelectron spectrum are proposed, and the loss in vibrational spacing on the high-energy side of the experimental ionization band is discussed. Rudimentary anharmonic Franck-Condon simulations qualitatively reproduce the broad spectral features observed in experiment.

Active Thermochemical Tables↗

Following electron impact excitations of single Os, Pt, Hg, Pb and Po atom L subshells ionization cross section calculations by using Lotz’s equation

L shell ionization cross section and {sub Li} subshells ionization cross sections of Os, Pt, Hg, Pb, Po atoms calculated. For each atom, ten different electron impacty energy values E{sub oi} used. Calculations carried out by using nonrelativistic Lotz equation in Matlab. Ionization cross section values obtained for Eoi values in the energy range of E{sub Li} ≤E{sub oi}≤4E{sub Li} for each atom. Starting allmost from E{sub oi} = E{sub Li} (i = 1,2,3) values of the each subshell ionization threshold energy, ionization cross section are increasing rapidly with E{sub oi}. For a fixed E{sub oi} = 3. E{sub Li} values, while Z increases from Z = 76 to Z = 84, ionization cross section are decrease. These results help to understand some results which obtained from other electron-sigle atom impact studies on σ{sub Li} subshells.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Alfvén ionization in an MHD-gas interactions code

A numerical model of partially ionized plasmas is developed in order to capture their evolving ionization fractions as a result of Alfvén ionization (AI). The mechanism of, and the parameter regime necessary for, AI is discussed and an expression for the AI rate based on fluid parameters, from a gas-MHD model, is derived. This AI term is added to an existing MHD-gas interactions' code, and the result is a linear, 2D, two-fluid model that includes momentum transfer between charged and neutral species as well as an ionization rate that depends on the velocity fields of both fluids. The dynamics of waves propagating through such a partially ionized plasma are investigated, and it is found that AI has a significant influence on the fluid dynamics as well as both the local and global ionization fraction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Exploring spin symmetry-breaking effects for static field ionization of atoms: Is there an analog to the Coulson–Fischer point in bond dissociation?

Löwdin's symmetry dilemma is an ubiquitous issue in approximate quantum chemistry. In the context of Hartree-Fock (HF) theory, the use of Slater determinants with some imposed constraints to preserve symmetries of the exact problem may lead to physically unreasonable potential energy surfaces. On the other hand, lifting these constraints leads to the so-called broken symmetry solutions that usually provide better energetics, at the cost of losing information about good quantum numbers that describe the state of the system. This behavior has previously been extensively studied in the context of bond dissociation. Here, this paper studies the behavior of different classes of HF spin polarized solutions (restricted, unrestricted, and generalized) in the context of ionization by strong static electric fields. We find that, for simple two electron systems, unrestricted Hartree-Fock (UHF) is able to provide a qualitatively good description of states involved during the ionization process (neutral, singly ionized, and doubly ionized states), whereas RHF fails to describe the singly ionized state. For more complex systems, even though UHF is able to capture some of the expected characteristics of the ionized states, it is constrained to a single M s (diabatic) manifold in the energy surface as a function of field intensity. In this case, a better qualitative picture can be painted by using generalized Hartree-Fock as it is able to explore different spin manifolds and follow the lowest solution due to lack of collinearity constraints on the spin quantization axis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

THE NONLINEAR OHM'S LAW: PLASMA HEATING BY STRONG ELECTRIC FIELDS AND ITS EFFECTS ON THE IONIZATION BALANCE IN PROTOPLANETARY DISKS

The ionization state of the gas plays a key role in the magnetohydrodynamics (MHD) of protoplanetary disks. However, the ionization state can depend on the gas dynamics, because electric fields induced by MHD turbulence can heat up plasmas and thereby affect the ionization balance. To study this nonlinear feedback, we construct an ionization model that includes plasma heating by electric fields and impact ionization by heated electrons, as well as charging of dust grains. We show that when plasma sticking onto grains is the dominant recombination process, the electron abundance in the gas decreases with increasing electric field strength. This is a natural consequence of electron-grain collisions whose frequency increases with the electron's random velocity. The decreasing electron abundance may lead to a self-regulation of MHD turbulence. In some cases, not only the electron abundance but also the electric current decreases with increasing field strength in a certain field range. The resulting N-shaped current-field relation violates the fundamental assumption of the non-relativistic MHD that the electric field is uniquely determined by the current density. At even higher field strengths, impact ionization causes an abrupt increase of the electric current as expected by previous studies. We find that this discharge current is multi-valued (i.e., the current-field relation is S-shaped) under some circumstances, and that the intermediate branch is unstable. The N/S-shaped current-field relations may yield hysteresis in the evolution of MHD turbulence in some parts of protoplanetary disks.

79 ASTRONOMY AND ASTROPHYSICS↗

SU-G-IeP2-11: Measurement of Equilibrium Doses in Computed Tomography: Comparative Study of Ionization and Solid-State Dosimeters

Purpose: This study aimed to compare equilibrium doses in computed tomography (CT) obtained from ionization and solid-state dosimeters based on the approach presented in the American Association of Physicists in Medicine Report No. 111. The equilibrium doses were also compared with the CT dose index (CTDI) using a 10-cm pencil-type ionization chamber. Methods: A 0.6-cm{sup 3} ionization chamber (10X6-0.6CT) and a solid-state detector (CT Dose Profiler [CTDP]) were calibrated using 80–130 kVp X-ray beams (44.5–55.8 keV of effective energy) from a radiography X-ray machine against a reference ionization dosimeter. Three 16- or 32-cm diameter polymethyl methacrylate (PMMA) phantoms were assembled consecutively on the CT table to obtain equilibrium doses. The 10X6-0.6CT and CTDP were each placed at the center and peripheral holes (12, 3, 6, and 9 o’clock) of the z-center. Central and mean peripheral equilibrium doses were obtained by scanning with longitudinal translation for a length less than the entire phantom length. CTDIs were also obtained with a 10-cm pencil-type ionization chamber (10X6-0.6CT) by scanning a 16- or 32-cm diameter PMMA phantom with one rotation of the X-ray tube. Results: The difference of calibration coefficients between 80 and 130 kVp was 21.1% for the CTDP and 0.7% for the 10X6-0.6CT. The equilibrium doses were higher than the CTDI. Especially at the peripheral positions and 80 kVp, the 10X6-0.6CT showed higher equilibrium doses than CTDP. However, the relation between the equilibrium dose for the 10X6-0.6CT and the CTDP differed depending on the phantom size, scanner type, measurement position, and selected acquisition parameters. Conclusion: The use of a 10-cm pencil-type ionization chamber causes underestimation of the equilibrium dose. The CTDP has a higher energy dependency than the 10X6-0.6CT. The obtained equilibrium doses are different between the 10X6-0.6CT and the CTDP depending on various conditions. This study was supported by JSPS KAKENHI Grant Number 15K09887.

60 APPLIED LIFE SCIENCES↗

Dynamics of ionization processes in high-pressure nitrogen, air, and SF{sub 6} during a subnanosecond breakdown initiated by runaway electrons

The dynamics of ionization processes in high-pressure nitrogen, air, and SF{sub 6} during breakdown of a gap with a nonuniform distribution of the electric field by nanosecond high-voltage pulses was studied experimentally. Measurements of the amplitude and temporal characteristics of a diffuse discharge and its radiation with a subnanosecond time resolution have shown that, at any polarity of the electrode with a small curvature radius, breakdown of the gap occurs via two ionization waves, the first of which is initiated by runaway electrons. For a voltage pulse with an ∼500-ps front, UV radiation from different zones of a diffuse discharge is measured with a subnanosecond time resolution. It is shown that the propagation velocity of the first ionization wave increases after its front has passed one-half of the gap, as well as when the pressure in the discharge chamber is reduced and/or when SF{sub 6} is replaced with air or nitrogen. It is found that, at nitrogen pressures of 0.4 and 0.7 MPa and the positive polarity of the high-voltage electrode with a small curvature radius, the ionization wave forms with a larger (∼30 ps) time delay with respect to applying the voltage pulse to the gap than at the negative polarity. The velocity of the second ionization wave propagating from the plane electrode is measured. In a discharge in nitrogen at a pressure of 0.7 MPa, this velocity is found to be ∼10 cm/ns. It is shown that, as the nitrogen pressure increases to 0.7 MPa, the propagation velocity of the front of the first ionization wave at the positive polarity of the electrode with a small curvature radius becomes lower than that at the negative polarity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ultra-low emittance beam generation using two-color ionization injection in a CO 2 laser-driven plasma accelerator

Ultra-low emittance (tens of nm) beams can be generated in a plasma accelerator using ionization injection of electrons into a wakefield. An all-optical method of beam generation uses two laser pulses of different colors. A long-wavelength drive laser pulse (with a large ponderomotive force and small peak electric field) is used to excite a large wakefield without fully ionizing a gas, and a short-wavelength injection laser pulse (with a small ponderomotive force and large peak electric field), co-propagating and delayed with respect to the pump laser, to ionize a fraction of the remaining bound electrons at a trapped wake phase, generating an electron beam that is accelerated in the wake. The trapping condition, the ionized electron distribution, and the trapped bunch dynamics are discussed. Expressions for the beam transverse emittance, parallel and orthogonal to the ionization laser polarization, are presented. An example is shown using a 10-micron CO 2 laser to drive the wake and a frequency-doubled Ti:Al 2 O 3 laser for ionization injection.

43 PARTICLE ACCELERATORS↗

Orientation-dependent enhanced ionization in acetylene revealed by ultrafast cross-polarized pulse pairs

We investigate the orientation dependence of enhanced ionization (EI) during strong-field-driven nuclear motion in acetylene (C 2 ⁢H 2 ). Here, we both initiate and probe molecular dynamics in acetylene with intense 6-fs cross-polarized pulse pairs, separated by a variable delay. Following multiple ionization by the first pulse, acetylene undergoes simultaneous elongation of the carbon-carbon and carbon-hydrogen bonds, enabling further ionization by the second pulse and the formation of a very highly charged state, [C 2 ⁢H 2 ] 6+ . At small interpulse delays (< 20 fs), this enhancement occurs when the molecule is aligned to the probe pulse. Conversely, at large delays (> 40 fs), formation of [C 2 ⁢H 2 ] 6+ occurs when the molecule is aligned to the pump pulse. By analyzing the polarization and time dependence of sequentially ionized [C 2 ⁢H 2 ] 6+ , we resolve two transient alignments that both contribute to a large increase in the multiple ionization yield. In conclusion, this cross-polarized pulse pair scheme uniquely enables selective probing of deeply bound orbitals, providing new insights on orientation-dependent EI in highly charged hydrocarbons.

Atomic & molecular clusters↗