DETERMINATION OF ELEMENTAL COMPOSITIONS BY HIGH RESOLUTION MASS SPECTROMETRY WITHOUT MASS CALIBRANTS

EPA Science Inventory

Widely applicable mass calibrants, including perfluorokerosene, are available for gas-phase introduction of analytes ionized by electron impact (EI) prior to analysis using high resolution mass spectrometry. Unfortunately, no all-purpose calibrants are available for recently dev...

Differential cross sections for ionizations of H and H2 by 75 keV proton impact

NASA Astrophysics Data System (ADS)

Igarashi, A.; Gulyás, L.

2018-02-01

We have calculated total, partial and fully differential cross sections (FDCSs) for ionizations of H and H2 by 75 keV proton impact within the framework of the continuum-distorted-wave-eikonal-initial-state (CDW-EIS) approximation. Applying the single active electron model, the interaction between the projectile and the target ion is taken into account in the impact parameter picture. Extension of the CDW-EIS model to the molecular target is performed using the two-effective center approximation. The obtained results are compared with those of experimental and other theoretical data when available. The agreements between the theories and the experimental data are generally reasonable except for some cases of the FDCSs.

IDENTIFICATION OF NEW OZONE DISINFECTION BY PRODUCTS IN DRINKING WATER

EPA Science Inventory

Using a combination of spectral identification techniques-gas chromatography coupled with low- and high-resolution electron-impact mass spectrometry (GC/EI-MS), low- and high-resolution chemical ionization mass spectrometry (GC/CI-MS), and infrared spectroscopy (GC/ IR)-we identi...

Energy and angular distribution of electrons ejected from water by the impact of fast O8+ ion beams

NASA Astrophysics Data System (ADS)

Bhattacharjee, Shamik; Bagdia, Chandan; Chowdhury, Madhusree Roy; Monti, Juan M.; Rivarola, Roberto D.; Tribedi, Lokesh C.

2018-01-01

Double differential cross sections (DDCS) of electrons emitted from vapor water molecules (in vapor phase) by 2.0 MeV/u and 3.75 MeV/u bare oxygen ion impact have been measured by continuum electron spectroscopy technique. The ejected electrons were detected by an electrostatic hemispherical deflection analyzer over an energy range of 1-600 eV and emission angles from 20∘ to 160∘. The DDCS data has been compared with the continuum-distorted-wave-eikonal-initial state (CDW-EIS) approximation and a reasonable agreement was found with both version of the models i.e. post and prior version. By numerical integration of the DDCS data, the single differential cross section (SDCS) and total ionization cross section (TCS) were obtained. The obtained TCS results were compared with other available TCS results for water target within the same energy range. The total ionization cross sections values are seen to saturate as the projectile charge state ( q p ) increases, which is in contrast to the first-Born predicted q p 2 dependence. This is also in contrast to the prediction of the CDW-EIS models.

Analysis of 62 synthetic cannabinoids by gas chromatography-mass spectrometry with photoionization.

PubMed

Akutsu, Mamoru; Sugie, Ken-Ichi; Saito, Koichi

2017-01-01

Gas chromatography-mass spectrometry (GC-MS) in electron ionization (EI) mode is one of the most commonly used techniques for analysis of synthetic cannabinoids, because the GC-EI-MS spectra contain characteristic fragment ions for identification of a compound; however, the information on its molecular ions is frequently lacking. To obtain such molecular ion information, GC-MS in chemical ionization (CI) mode is frequently used. However, GC-CI-MS requires a relatively tedious process using reagent gas such as methane or isobutane. In this study, we show that GC-MS in photoionization (PI) mode provided molecular ions in all spectra of 62 synthetic cannabinoids, and 35 of the 62 compounds showed only the molecular radical cations. Except for the 35 compounds, the PI spectra showed very simple patterns with the molecular peak plus only a few fragment peak(s). An advantage is that the ion source for GC-PI-MS can easily be used for GC-EI-MS as well. Therefore, GC-EI/PI-MS will be a useful tool for the identification of synthetic cannabinoids contained in a dubious product. To the best of our knowledge, this is the first report to use GC-PI-MS for analysis of synthetic cannabinoids.

A vortex line for K-shell ionization of a carbon atom by electron impact

NASA Astrophysics Data System (ADS)

Ward, S. J.; Macek, J. H.

2014-10-01

We obtained using the Coulomb-Born approximation a deep minimum in the TDCS for K-shell ionization of a carbon atom by electron impact for the electron ejected in the scattering plane. The minimum is obtained for the kinematics of the energy of incident electron Ei = 1801.2 eV, the scattering angle θf = 4°, the energy of the ejected electron Ek = 5 . 5 eV, and the angle for the ejected electron θk = 239°. This minimum is due to a vortex in the velocity field. At the position of the vortex, the nodal lines of Re [ T ] and Im [ T ] intersect. We decomposed the CB1 T-matrix into its multipole components for the kinematics of a vortex, taking the z'-axis parallel to the direction of the momentum transfer vector. The m = +/- 1 dipole components are necessary to obtain a vortex. We also considered the electron to be ejected out of the scattering plane and obtained the positions of the vortex for different values of the y-component of momentum of the ejected electron, ky. We constructed the vortex line for the kinematics of Ei = 1801.2 eV and θf = 4°. S.J.W. and J.H.M. acknowledge support from NSF under Grant No. PHYS- 0968638 and from D.O.E. under Grant Number DE-FG02-02ER15283, respectively.

Rapid quantification of free cholesterol in tears using direct insertion/electron ionization-mass spectrometry.

PubMed

Wei, Xiaojia Eric; Korth, John; Brown, Simon H J; Mitchell, Todd W; Truscott, Roger J W; Blanksby, Stephen J; Willcox, Mark D P; Zhao, Zhenjun

2013-12-09

To establish a simple and rapid analytical method, based on direct insertion/electron ionization-mass spectrometry (DI/EI-MS), for measuring free cholesterol in tears from humans and rabbits. A stable-isotope dilution protocol employing DI/EI-MS in selected ion monitoring mode was developed and validated. It was used to quantify the free cholesterol content in human and rabbit tear extracts. Tears were collected from adult humans (n = 15) and rabbits (n = 10) and lipids extracted. Screening, full-scan (m/z 40-600) DI/EI-MS analysis of crude tear extracts showed that diagnostic ions located in the mass range m/z 350 to 400 were those derived from free cholesterol, with no contribution from cholesterol esters. DI/EI-MS data acquired using selected ion monitoring (SIM) were analyzed for the abundance ratios of diagnostic ions with their stable isotope-labeled analogues arising from the D6-cholesterol internal standard. Standard curves of good linearity were produced and an on-probe limit of detection of 3 ng (at 3:1 signal to noise) and limit of quantification of 8 ng (at 10:1 signal to noise). The concentration of free cholesterol in human tears was 15 ± 6 μg/g, which was higher than in rabbit tears (10 ± 5 μg/g). A stable-isotope dilution DI/EI-SIM method for free cholesterol quantification without prior chromatographic separation was established. Using this method demonstrated that humans have higher free cholesterol levels in their tears than rabbits. This is in agreement with previous reports. This paper provides a rapid and reliable method to measure free cholesterol in small-volume clinical samples.

Lipidomic analysis of glycerolipid and cholesteryl ester autooxidation products.

PubMed

Kuksis, Arnis; Suomela, Jukka-Pekka; Tarvainen, Marko; Kallio, Heikki

2009-06-01

Thin-layer chromatography (TLC), gas chromatography (GC), and liquid chromatography (LC) in combination with mass spectrometry (MS) have been adopted for the isolation and identification of oxolipids and for determining their functionality. TLC provides a rapid separation and access to most oxolipids as intact molecules and has recently been effectively interfaced with time-of-flight (TOF) MS (TOF-MS). GC with flame ionization (FI) (GC/FI) and electron impact (EI) MS (GC/EI-MS) has been extensively utilized in the analysis of isoprostanes and other low-molecular-weight oxolipids, although these methods require derivatization of the analytes. In contrast, LC with ultraviolet (UV) absorption (LC/UV) or evaporate light scattering detection (ELSD) (LC/ELSD) as well as electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) MS (LC/ESI-MS) or LC/APCI-MS has proven to be well suited for the analysis of intact oxolipids and their conjugates without or with minimal derivatization. Nevertheless, kit-based colorimetric and fluorescent procedures continue to serve as sensitive indicators of the presence of hydroperoxides and aldehydes.

Structural characterization of saturated branched chain fatty acid methyl esters by collisional dissociation of molecular ions generated by electron ionization[S

PubMed Central

Ran-Ressler, Rinat R.; Lawrence, Peter; Brenna, J. Thomas

2012-01-01

Saturated branched chain fatty acids (BCFA) are present as complex mixtures in numerous biological samples. The traditional method for structure elucidation, electron ionization (EI) mass spectrometry, sometimes does not unambiguously enable assignment of branching in isomeric BCFA. Zirrolli and Murphy (Zirrolli , J. A. , and R. A. Murphy. 1993. Low-energy tandem mass spectrometry of the molecular ion derived from fatty acid methyl esters: a novel method for analysis of branched-chain fatty acids. J. Am. Soc. Mass Spectrom. 4: 223–229.) showed that the molecular ions of four BCFA methyl ester (BCFAME) yield highly characteristic fragments upon collisional dissociation using a triple quadrupole instrument. Here, we confirm and extend these results by analysis using a tabletop 3-D ion trap for activated molecular ion EI-MS/MS to 30 BCFAME. iso-BCFAME produces a prominent ion (30-100% of base peak) for [M-43] (M-C3H7), corresponding to the terminal isopropyl moiety in the original iso-BCFAME. Anteiso-FAME yield prominent ions (20-100% of base peak) corresponding to losses on both side of the methyl branch, [M-29] and [M-57], and tend to produce more prominent m/z 115 peaks corresponding to a cyclization product around the ester. Dimethyl and tetramethyl FAME, with branches separated by at least one methylene group, yield fragment on both sides of the sites of methyl branches that are more than 6 C away from the carboxyl carbon. EI-MS/MS yields uniquely specific ions that enable highly confident structural identification and quantification of BCFAME. PMID:22021637

Methods for the analysis of organophosphorus flame retardants-Comparison of GC-EI-MS, GC-NCI-MS, LC-ESI-MS/MS, and LC-APCI-MS/MS.

PubMed

Tokumura, Masahiro; Miyake, Yuichi; Wang, Qi; Nakayama, Hayato; Amagai, Takashi; Ogo, Sayaka; Kume, Kazunari; Kobayashi, Takeshi; Takasu, Shinji; Ogawa, Kumiko

2018-04-16

Organophosphorus flame retardants (PFRs) are extensively used as alternatives to banned polybrominated diphenyl ethers (PBDEs) and hexabromocyclododecane (HBCD). In this study, we analyzed 14 PFRs by means of four mass-spectrometry-based methods: gas chromatography combined with electron-impact mass spectrometry (GC-EI-MS) or negative-chemical-ionization mass spectrometry (GC-NCI-MS) and liquid chromatography combined with tandem mass spectrometry using electrospray ionization (LC-ESI-MS/MS) or atmospheric pressure chemical ionization (LC-APCI-MS/MS). The limits of quantification (LOQs) for LC-ESI-MS/MS and LC-APCI-MS/MS (0.81-970 pg) were 1-2 orders of magnitude lower than the LOQs for GC-EI-MS and GC-NCI-MS (2.3-3900 pg). LC-APCI-MS/MS showed the lowest LOQs (mean = 41 pg; median = 3.4 pg) for all but two of the PFRs targeted in this study. For LC-APCI-MS/MS, the lowest LOQ was observed for tributyl phosphate (TBP) (0.81 pg), and the highest was observed for tris(butoxyethyl) phosphate (TBOEP) (36 pg). The results of this study indicate that LC-APCI-MS/MS is the optimum analytical method for the target PFRs, at least in terms of LOQ.

Gas chromatography/mass spectrometry comprehensive analysis of organophosphorus, brominated flame retardants, by-products and formulation intermediates in water.

PubMed

Cristale, Joyce; Quintana, Jordi; Chaler, Roser; Ventura, Francesc; Lacorte, Silvia

2012-06-08

A multiresidue method based on gas chromatography coupled to quadrupole mass spectrometry was developed to determine organophosphorus flame retardants, polybromodiphenyl ethers (BDEs 28, 47, 99, 100, 153, 154, 183 and 209), new brominated flame retardants, bromophenols, bromoanilines, bromotoluenes and bromoanisoles in water. Two ionization techniques (electron ionization--EI, and electron capture negative ionization--ECNI) and two acquisition modes (selected ion monitoring--SIM, and selected reaction monitoring--SRM) were compared as regards to mass spectral characterization, sensitivity and quantification capabilities. The highest sensitivity, at expenses of identification capacity, was obtained by GC-ECNI-MS/SIM for most of the compounds analyzed, mainly for PBDEs and decabromodiphenyl ethane while GC-EI-MS/MS in SRM was the most selective technique and permitted the identification of target compounds at the pg level, and identification capabilities increased when real samples were analyzed. This method was further used to evaluate the presence and behavior of flame retardants within a drinking water treatment facility. Organophosphorus flame retardants were the only compounds detected in influent waters at levels of 0.32-0.03 μg L⁻¹, and their elimination throughout the different treatment stages was evaluated. Copyright © 2012 Elsevier B.V. All rights reserved.

Highly sensitive and selective analysis of urinary steroids by comprehensive two-dimensional gas chromatography combined with positive chemical ionization quadrupole mass spectrometry

PubMed Central

Zhang, Ying; Tobias, Herbert J.; Brenna, J. Thomas

2014-01-01

Comprehensive two dimensional gas chromatography (GC×GC) provides greater separation space than conventional GC. Because of fast peak elution, a time of flight mass spectrometer (TOFMS) is the usual structure-specific detector of choice. The quantitative capabilities of a novel GC×GC fast quadrupole MS were investigated with electron ionization (EI), and CH4 or NH3 positive chemical ionization (PCI) for analysis of endogenous urinary steroids targeted in anti-doping tests. Average precisions for steroid quantitative analysis from replicate urine extractions were 6% (RSD) for EI and 8% for PCI-NH3. The average limits of detection (LOD) calculated by quantification ions for 12 target steroids spiked into steroid-free urine matrix (SFUM) were 2.6 ng mL−1 for EI, 1.3 ng mL−1 for PCI-CH4, and 0.3 ng mL−1 for PCI-NH3, all in mass scanning mode. The measured limits of quantification (LOQ) with full mass scan GC×GC-qMS were comparable with the LOQ values measured by one-dimensional GC-MS in single ion monitoring (SIM) mode. PCI-NH3 yields fewer fragments and greater (pseudo)molecular ion abundances than EI or PCI-CH4. These data show a benchtop GC×GC-qMS system has the sensitivity, specificity, and resolution to analyze urinary steroids at normal urine concentrations, and that PCI-NH3, not currently available on most GC×GC-TOFMS instruments, is of particular value for generation of structure-specific ions. PMID:22606686

Enhanced signal generation for use in the analysis of synthetic pyrethroids using chemical ionization tandem quadrupole ion trap mass spectrometry.

PubMed

Sichilongo, Kwenga

2004-12-01

Synthetic pyrethroids fragment extensively under electron ionization (EI) conditions to give low mass ions, most of them with the same m/z ratios. This fragmentation is primarily due to the labile ester linkage found in these compounds. In this research we established the best gas chromatography (GC) conditions in the EI mode that served as a benchmark in the development of a chemical ionization (CI) protocol for ten selected synthetic pyrethroids. Based on proton affinity data, several reagent gases were evaluated in the positive CI ionization mode. Methanol was found to produce higher average ion counts relative to the other gases evaluated, which led to the development of an optimized method consisting of selective ejection chemical ionization (SECI) and MS/MS. Standard stainless steel ion trap electrodes produced significant degradation of chromatographic performance on late eluting compounds, which was attributed to electrode surface chemistry. A dramatic improvement in signal-to-noise (S/N) ratios was observed when the chromatographically inert Silcosteel coated electrodes were used. The resulting method, that has significant S/N ratio improvements resulting from a combination of septum programmable injections (SPI), optimized CI and inert Silcosteel-coated electrodes, was used to determine instrument detection limits.

Sol-gel coated ion sources for liquid chromatography-direct electron ionization mass spectrometry.

PubMed

Riboni, Nicolò; Magrini, Laura; Bianchi, Federica; Careri, Maria; Cappiello, Achille

2017-07-25

Advances in interfacing liquid chromatography and electron ionization mass spectrometry are presented. New ion source coatings synthesized by sol-gel technology were developed and tested as vaporization surfaces in terms of peak intensity, peak width and peak delay for the liquid chromatography-direct electron ionization mass spectrometry (Direct-EI) determination of environmental pollutants like polycyclic aromatic hydrocarbons and steroids. Silica-, titania-, and zirconia-based coatings were sprayed inside the stainless steel ion source and characterized in terms of thermal stability, film thickness and morphology. Negligible weight losses until 350-400 °C were observed for all the materials, with coating thicknesses in the 6 (±1)-11 (±2) μm range for optimal ionization process. The best performances in terms of both peak intensity and peak width were obtained by using the silica-based coating: the detection of the investigated compounds was feasible at low ng μl -1 levels with a good precision (RSD < 9% for polycyclic aromatic hydrocarbons and <11% for hormones). Copyright © 2017 Elsevier B.V. All rights reserved.

Advanced liquid chromatography-mass spectrometry interface based on electron ionization.

PubMed

Cappiello, A; Famiglini, G; Pierini, E; Palma, P; Trufelli, H

2007-07-15

Major progress in interfacing liquid chromatography and electron ionization mass spectrometry is presented. The minimalism of the first prototype, called the Direct-EI interface, has been widely refined, improved, and applied to modern instrumentation. The simple interfacing principle is based on the straight connection between a nanoHPLC system and a mass spectrometer equipped with an EI source forming a solid and reliable unicum resembling the immediacy and straightforwardness of GC/MS. The interface shows a superior performance in the analysis of small-medium molecular weight compounds, especially when compared to its predecessors, and a unique trait that excels particularly in the following aspects: (1) It delivers high-quality, fully library matchable mass spectra of most sub-1 kDa molecules amenable by HPLC. (2) It is a chemical ionization free interface (unless operated intentionally) with accurate reproduction of the expected isotope ion abundances. (3) Response is never influenced by matrix components in the sample or in the mobile phase (nonvolatile salts are also well accepted). A deep evaluation of these aspects is presented and discussed in detail. Other characteristics of the interface performance such as limits of detections, range of linear response, and intra- and interday signal stability were also considered. The usefulness of the interface has been tested in a few real-world applications where matrix components played a detrimental role with other LC/MS techniques.

Fatty acids composition of Caenorhabditis elegans using accurate mass GCMS-QTOF

PubMed Central

Henry, Parise; Owopetu, Olufunmilayo; Adisa, Demilade; Nguyen, Thao; Anthony, Kevin; Ijoni-Animadu, David; Jamadar, Sakha; Abdel-Rahman, Fawzia; Saleh, Mahmoud A.

2016-01-01

The free living nematode Caenorhabditis elegans is a proven model organism for lipid metabolism research. Total lipids of C. elegans were extracted using chloroform, methanol 2:1(v/v). Fatty acids composition of the extracted total lipids were converted to their corresponding methyl esters (FAMEs) and analyzed by gas chromatography/accurate mass quadrupole time of flight mass spectrometry (GCMS-QTOF) using both electron ionization (EI) and chemical ionization (CI) techniques. 28 fatty acids consisting of 12 to 22 carbon atoms were identified, 65% of them were unsaturated. Fatty acids containing 12 to 17 carbons were mostly saturated with stearic acid (18:0) as the major constituent. Several branched-chain fatty acids were identified. Methyl-14-methylhexadecanoate (iso-17:0) was the major identified branched fatty acid. This is the first report to detect the intact molecular parent ions of the identified fatty acids using chemical ionization compared to electron ionization which produced fragmentations of the fatty acids methyl esters (FAMEs). PMID:27166662

Improved molecular level identification of organic compounds using comprehensive two-dimensional chromatography, dual ionization energies and high resolution mass spectrometry

DOE PAGES

Worton, David R.; Decker, Monika; Isaacman-VanWertz, Gabriel; ...

2017-05-22

A new analytical methodology combining comprehensive two-dimensional gas chromatography (GC×GC), dual ionization energies and high resolution time of flight mass spectrometry has been developed that improves molecular level identification of organic compounds in complex environmental samples. GC×GC maximizes compound separation providing cleaner mass spectra by minimizing erroneous fragments from interferences and co-eluting peaks. Traditional electron ionization (EI, 70 eV) provides MS fragmentation patterns that can be matched to published EI MS libraries while vacuum ultraviolet photoionization (VUV, 10.5 eV) yields MS with reduced fragmentation enhancing the abundance of the molecular ion providing molecular formulas when combined with high resolution massmore » spectrometry. We demonstrate this new approach by applying it to a sample of organic aerosol. In this sample, 238 peaks were matched to EI MS library data with FM ≥ 800 but a fifth (42 compounds) were determined to be incorrectly identified because the molecular formula was not confirmed by the VUV MS data. This highlights the importance of using a complementary technique to confirm compound identifications even for peaks with very good matching statistics. In total, 171 compounds were identified by EI MS matching to library spectra with confirmation of the molecular formula from the high resolution VUV MS data and were not dependent on the matching statistics being above a threshold value. A large number of unidentified peaks were still observed with FM < 800, which in routine analysis would typically be neglected. Where possible, these peaks were assigned molecular formulas from the VUV MS data (211 in total). In total, the combination of EI and VUV MS data provides more than twice as much molecular level peak information than traditional approaches and improves confidence in the identification of individual organic compounds. The molecular formula data from the VUV MS data was used, in conjunction with GC×GC retention times and the observed EI MS, to generate a new, searchable EI MS library compatible with the standard NIST MS search program. This library is deliberately dynamic and editable so that other end users can add new entries and update existing entries as new information becomes available.A new analytical methodology has been developed to improve molecular level identification of organic compounds in complex samples.« less

Improved molecular level identification of organic compounds using comprehensive two-dimensional chromatography, dual ionization energies and high resolution mass spectrometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Worton, David R.; Decker, Monika; Isaacman-VanWertz, Gabriel

A new analytical methodology combining comprehensive two-dimensional gas chromatography (GC×GC), dual ionization energies and high resolution time of flight mass spectrometry has been developed that improves molecular level identification of organic compounds in complex environmental samples. GC×GC maximizes compound separation providing cleaner mass spectra by minimizing erroneous fragments from interferences and co-eluting peaks. Traditional electron ionization (EI, 70 eV) provides MS fragmentation patterns that can be matched to published EI MS libraries while vacuum ultraviolet photoionization (VUV, 10.5 eV) yields MS with reduced fragmentation enhancing the abundance of the molecular ion providing molecular formulas when combined with high resolution massmore » spectrometry. We demonstrate this new approach by applying it to a sample of organic aerosol. In this sample, 238 peaks were matched to EI MS library data with FM ≥ 800 but a fifth (42 compounds) were determined to be incorrectly identified because the molecular formula was not confirmed by the VUV MS data. This highlights the importance of using a complementary technique to confirm compound identifications even for peaks with very good matching statistics. In total, 171 compounds were identified by EI MS matching to library spectra with confirmation of the molecular formula from the high resolution VUV MS data and were not dependent on the matching statistics being above a threshold value. A large number of unidentified peaks were still observed with FM < 800, which in routine analysis would typically be neglected. Where possible, these peaks were assigned molecular formulas from the VUV MS data (211 in total). In total, the combination of EI and VUV MS data provides more than twice as much molecular level peak information than traditional approaches and improves confidence in the identification of individual organic compounds. The molecular formula data from the VUV MS data was used, in conjunction with GC×GC retention times and the observed EI MS, to generate a new, searchable EI MS library compatible with the standard NIST MS search program. This library is deliberately dynamic and editable so that other end users can add new entries and update existing entries as new information becomes available.A new analytical methodology has been developed to improve molecular level identification of organic compounds in complex samples.« less

An Optics Free Spectrometer for the Extreme Ultraviolet

NASA Technical Reports Server (NTRS)

Judge, D. L.; Daybell, M. D.; Hoffman, J. R.; Gruntman, M. A.; Ogawa, H. S.; Samson, J. A. R.

1994-01-01

The optics-free spectrometer is a photon spectrometer. It provides the photon spectrum of a broadband source by converting photons of energy E into electrons of energy E', according to the Einstein relation, E' = E - Ei. E, is the ionization threshold of the gas target of interest (any of the rare gases are suitable) and E is the incoming photon energy. As is evident from the above equation, only a single order spectrum is produced throughout the energy range between the first and second ionization potentials of the rare gas used. Photons with energy above the second ionization potential produce two groups of electrons, but they are readily distinguished from each other. This feature makes this device extremely useful for determining the true spectrum of a continuum source or a many line source. The principle of operation and the laboratory results obtained with a representative configuration of the optics-free spectrometer are presented.

Large discrepancies observed in theoretical studies of ion-impact ionization of the atomic targets at large momentum transfer

NASA Astrophysics Data System (ADS)

Ghorbani, Omid; Ghanbari-Adivi, Ebrahim

2017-12-01

A full quantum mechanical version of the three-body distorted wave-eikonal initial state (3DW-EIS) theory is developed to study of the single ionization of the atomic targets by ion impact at different momentum transfers. The calculations are performed both with and without including the internuclear interaction in the transition amplitude. For 16 \\text{Mev} \\text{O}7+ \\text{-He}~(1s2 ) and 24 \\text{Mev} \\text{O}8+\\text{-Li}~(2s ) collisions, the emission of the active electron into the scattering plane is considered and the fully differential cross-sections (FDCSs) are calculated for a fixed value of the ejected electron energy and a variety of momentum transfers. For both the specified collision systems, the obtained results are compared with the experimental data and with the cross-sections obtained using the semi-classical continuum distorted wave-eikonal initial state (CDW-EIS) approach. For 16 \\text{Mev} \\text{O}7+ \\text{-He}~(1s^2) , we also compared the results with those of a four-body three-Coulomb-wave (3CW) model. In general, we find some large discrepancies between the results obtained by different theories. These discrepancies are much more significant at larger momentum transfers. Also, for some ranges of the electron emission angles the results are much more sensitive to the internuclear interaction to be either turned on or off.

Structural characterization of saturated branched chain fatty acid methyl esters by collisional dissociation of molecular ions generated by electron ionization.

PubMed

Ran-Ressler, Rinat R; Lawrence, Peter; Brenna, J Thomas

2012-01-01

Saturated branched chain fatty acids (BCFA) are present as complex mixtures in numerous biological samples. The traditional method for structure elucidation, electron ionization (EI) mass spectrometry, sometimes does not unambiguously enable assignment of branching in isomeric BCFA. Zirrolli and Murphy (Zirrolli , J. A. , and R. A. Murphy. 1993. Low-energy tandem mass spectrometry of the molecular ion derived from fatty acid methyl esters: a novel method for analysis of branched-chain fatty acids. J. Am. Soc. Mass Spectrom. 4: 223-229.) showed that the molecular ions of four BCFA methyl ester (BCFAME) yield highly characteristic fragments upon collisional dissociation using a triple quadrupole instrument. Here, we confirm and extend these results by analysis using a tabletop 3-D ion trap for activated molecular ion EI-MS/MS to 30 BCFAME. iso-BCFAME produces a prominent ion (30-100% of base peak) for [M-43] (M-C₃H₇), corresponding to the terminal isopropyl moiety in the original iso-BCFAME. Anteiso-FAME yield prominent ions (20-100% of base peak) corresponding to losses on both side of the methyl branch, [M-29] and [M-57], and tend to produce more prominent m/z 115 peaks corresponding to a cyclization product around the ester. Dimethyl and tetramethyl FAME, with branches separated by at least one methylene group, yield fragment on both sides of the sites of methyl branches that are more than 6 C away from the carboxyl carbon. EI-MS/MS yields uniquely specific ions that enable highly confident structural identification and quantification of BCFAME.

Low-energy electron stimulated desorption of neutrals from multilayers of SiCl4 on Si(111).

PubMed

Lane, Christopher D; Orlando, Thomas M

2006-04-28

The interaction of low-energy electrons with multilayers of SiCl(4) adsorbed on Si(111) leads to production and desorption of Cl((2)P(32)), Cl((2)P(12)), Si, and SiCl. Resonant structure in the yield versus incident electron energy (E(i)) between 6 and 12 eV was seen in all neutral channels and assigned to dissociative electron attachment (DEA), unimolecular decay of excited products produced via autodetachment and direct dissociation. These processes yield Cl((2)P(32)) and Cl((2)P(12)) with nonthermal kinetic energies of 425 and 608 meV, respectively. The Cl((2)P(12)) is produced solely at the vacuum surface interface, whereas the formation of Cl((2)P(32)) likely involves subsurface dissociation, off-normal trajectories, and collisions with neighbors. Structure in the Cl((2)P(32)) yield near 14 and 25 eV can originate from excitation of electrons in the 2e, 7t(2) and 6t(2), 6a(1) levels, respectively. Although the 14 eV feature was not present in the Cl((2)P(12)) yield, the broad 25 eV feature, which involves complex Auger filling of holes in the 6t(2) and 6a(1) levels of SiCl(4), is observed. Direct ionization, exciton decay, and DEA from secondary electron scattering all occur at E(i)>14 eV. Si and SiCl were detected via nonresonant ionization of SiCl(x) precursors that are produced via the same states and mechanisms that yield Cl. The Si retains the kinetic energy profile of the desorbed precursors.

Corchorus Olitorius Linn: A Rich Source of Ω3-Fatty Acids.

PubMed

Mahmoud, A S; Thao, N; Mario, A

2016-06-01

Fatty acids composition of Corchorus olitorius Linn were identified as their methyl esters using accurate mass gas chromatography quadrupole time of flight mass spectrometry (GCQTOF) in chemical ionization (CI) and electron ionization (EI) modes. The leaves which are the edible part of the plant were found to be very rich in ω3-octadecatriene fatty acid reaching up to more than 49 % of the total fatty acids contents. This is the first report to unequivocally detect ω-3 fatty acid in Corchorus olitorius Linn with a much higher concentration than any other reported vegetable and further investigation into its health effects are clearly warranted.

Corchorus Olitorius Linn: A Rich Source of Ω3-Fatty Acids

PubMed Central

Mahmoud, AS; Thao, N; Mario, A

2016-01-01

Fatty acids composition of Corchorus olitorius Linn were identified as their methyl esters using accurate mass gas chromatography quadrupole time of flight mass spectrometry (GCQTOF) in chemical ionization (CI) and electron ionization (EI) modes. The leaves which are the edible part of the plant were found to be very rich in ω3-octadecatriene fatty acid reaching up to more than 49 % of the total fatty acids contents. This is the first report to unequivocally detect ω-3 fatty acid in Corchorus olitorius Linn with a much higher concentration than any other reported vegetable and further investigation into its health effects are clearly warranted. PMID:27722021

Multidimensional gas chromatography in combination with accurate mass, tandem mass spectrometry, and element-specific detection for identification of sulfur compounds in tobacco smoke.

PubMed

Ochiai, Nobuo; Mitsui, Kazuhisa; Sasamoto, Kikuo; Yoshimura, Yuta; David, Frank; Sandra, Pat

2014-09-05

A method is developed for identification of sulfur compounds in tobacco smoke extract. The method is based on large volume injection (LVI) of 10μL of tobacco smoke extract followed by selectable one-dimensional ((1)D) or two-dimensional ((2)D) gas chromatography (GC) coupled to a hybrid quadrupole time-of-flight mass spectrometer (Q-TOF-MS) using electron ionization (EI) and positive chemical ionization (PCI), with parallel sulfur chemiluminescence detection (SCD). In order to identify each individual sulfur compound, sequential heart-cuts of 28 sulfur fractions from (1)D GC to (2)D GC were performed with the three MS detection modes (SCD/EI-TOF-MS, SCD/PCI-TOF-MS, and SCD/PCI-Q-TOF-MS). Thirty sulfur compounds were positively identified by MS library search, linear retention indices (LRI), molecular mass determination using PCI accurate mass spectra, formula calculation using EI and PCI accurate mass spectra, and structure elucidation using collision activated dissociation (CAD) of the protonated molecule. Additionally, 11 molecular formulas were obtained for unknown sulfur compounds. The determined values of the identified and unknown sulfur compounds were in the range of 10-740ngmg total particulate matter (TPM) (RSD: 1.2-12%, n=3). Copyright © 2014 The Authors. Published by Elsevier B.V. All rights reserved.

Gas chromatography/chemical ionization triple quadrupole mass spectrometry analysis of anabolic steroids: ionization and collision-induced dissociation behavior.

PubMed

Polet, Michael; Van Gansbeke, Wim; Van Eenoo, Peter; Deventer, Koen

2016-02-28

The detection of new anabolic steroid metabolites and new designer steroids is a challenging task in doping analysis. Switching from electron ionization gas chromatography triple quadrupole mass spectrometry (GC/EI-MS/MS) to chemical ionization (CI) has proven to be an efficient way to increase the sensitivity of GC/MS/MS analyses and facilitate the detection of anabolic steroids. CI also extends the possibilities of GC/MS/MS analyses as the molecular ion is retained in its protonated form due to the softer ionization. In EI it can be difficult to find previously unknown but expected metabolites due to the low abundance or absence of the molecular ion and the extensive (and to a large extent unpredictable) fragmentation. The main aim of this work was to study the CI and collision-induced dissociation (CID) behavior of a large number of anabolic androgenic steroids (AAS) as their trimethylsilyl derivatives in order to determine correlations between structures and CID fragmentation. Clarification of these correlations is needed for the elucidation of structures of unknown steroids and new metabolites. The ionization and CID behavior of 65 AAS have been studied using GC/CI-MS/MS with ammonia as the reagent gas. Glucuronidated AAS reference standards were first hydrolyzed to obtain their free forms. Afterwards, all the standards were derivatized to their trimethylsilyl forms. Full scan and product ion scan analyses were used to examine the ionization and CID behavior. Full scan and product ion scan analyses revealed clear correlations between AAS structure and the obtained mass spectra. These correlations were confirmed by analysis of multiple hydroxylated, methylated, chlorinated and deuterated analogs. AAS have been divided into three groups according to their ionization behavior and into seven groups according to their CID behavior. Correlations between fragmentation and structure were revealed and fragmentation pathways were postulated. Copyright © 2016 John Wiley & Sons, Ltd.

Conditions for Aeronomic Applicability of the Classical Electron Heat Conduction Formula

NASA Technical Reports Server (NTRS)

Cole, K. D.; Hoegy, W. R.

1998-01-01

Conditions for the applicability of the classical formula for heat conduction in the electrons in ionized gas are investigated. In a fully ionised gas ( V(sub en) much greater than V(sub ei)), when the mean free path for electron-electron (or electron-ion) collisions is much larger than the characteristic thermal scale length of the observed system, the conditions for applicability break down. In the case of the Venus ionosphere this breakdown is indicated for a large fraction of the electron temperature data from altitudes greater than 180 km, for electron densities less than 10(exp 4)/cc cm. In a partially ionised gas such that V(sub en) much greater than V(sub ei) there is breakdown of the formula not only when the mean free path of electrons greatly exceeds the thermal scale length, but also when the gradient of neutral particle density exceeds the electron thermal gradient. It is shown that electron heat conduction may be neglected in estimating the temperature of joule heated electrons by observed strong 100 Hz electric fields when the conduction flux is limited by the saturation flux. The results of this paper support our earlier aeronomical arguments against the hypothesis of planetary scale whistlers for the 100 Hz electric field signal. In turn this means that data from the 100 Hz signal may not be used to support the case for lightning on Venus.

Methods, applications and concepts of metabolite profiling: primary metabolism.

PubMed

Steinhauser, Dirk; Kopka, Joachim

2007-01-01

In the 1990s the concept of a comprehensive analysis of the metabolic complement in biological systems, termed metabolomics or alternately metabonomics, was established as the last of four cornerstones for phenotypic studies in the post-genomic era. With genomic, transcriptomic, and proteomic technologies in place and metabolomic phenotyping under rapid development all necessary tools appear to be available today for a fully functional assessment of biological phenomena at all major system levels of life. This chapter attempts to describe and discuss crucial steps of establishing and maintaining a gas chromatography/electron impact ionization/ mass spectrometry (GC-EI-MS)-based metabolite profiling platform. GC-EI-MS can be perceived as the first and exemplary profiling technology aimed at simultaneous and non-biased analysis of primary metabolites from biological samples. The potential and constraints of this profiling technology are among the best understood. Most problems are solved as well as pitfalls identified. Thus GC-EI-MS serves as an ideal example for students and scientists who intend to enter the field of metabolomics. This chapter will be biased towards GC-EI-MS analyses but aims at discussing general topics, such as experimental design, metabolite identification, quantification and data mining.

eRah: A Computational Tool Integrating Spectral Deconvolution and Alignment with Quantification and Identification of Metabolites in GC/MS-Based Metabolomics.

PubMed

Domingo-Almenara, Xavier; Brezmes, Jesus; Vinaixa, Maria; Samino, Sara; Ramirez, Noelia; Ramon-Krauel, Marta; Lerin, Carles; Díaz, Marta; Ibáñez, Lourdes; Correig, Xavier; Perera-Lluna, Alexandre; Yanes, Oscar

2016-10-04

Gas chromatography coupled to mass spectrometry (GC/MS) has been a long-standing approach used for identifying small molecules due to the highly reproducible ionization process of electron impact ionization (EI). However, the use of GC-EI MS in untargeted metabolomics produces large and complex data sets characterized by coeluting compounds and extensive fragmentation of molecular ions caused by the hard electron ionization. In order to identify and extract quantitative information on metabolites across multiple biological samples, integrated computational workflows for data processing are needed. Here we introduce eRah, a free computational tool written in the open language R composed of five core functions: (i) noise filtering and baseline removal of GC/MS chromatograms, (ii) an innovative compound deconvolution process using multivariate analysis techniques based on compound match by local covariance (CMLC) and orthogonal signal deconvolution (OSD), (iii) alignment of mass spectra across samples, (iv) missing compound recovery, and (v) identification of metabolites by spectral library matching using publicly available mass spectra. eRah outputs a table with compound names, matching scores and the integrated area of compounds for each sample. The automated capabilities of eRah are demonstrated by the analysis of GC-time-of-flight (TOF) MS data from plasma samples of adolescents with hyperinsulinaemic androgen excess and healthy controls. The quantitative results of eRah are compared to centWave, the peak-picking algorithm implemented in the widely used XCMS package, MetAlign, and ChromaTOF software. Significantly dysregulated metabolites are further validated using pure standards and targeted analysis by GC-triple quadrupole (QqQ) MS, LC-QqQ, and NMR. eRah is freely available at http://CRAN.R-project.org/package=erah .

Rapid Screening and Characterization of Acetylcholinesterase Inhibitors from Yinhuang Oral Liquid Using Ultrafiltration-liquid Chromatography-electrospray Ionization Tandem Mass Spectrometry

PubMed Central

Zhang, Haomin; Guo, Yinan; Meng, Lingwen; Sun, Hui; Yang, Yinping; Gao, Ying; Sun, Jiaming

2018-01-01

Background: At present, approximately 17–25 million people in the world suffer from Alzheimer's disease (AD). The most efficacious and acceptable therapeutic drug clinically are the acetylcholinesterase inhibitors (AChEIs). Yinhuang oral liquid is a Chinese medicine preparation which contains AChEIs according to the literatures. However, no strategy has been presented for rapid screening and identification of AChEIs from Yinhuang oral liquid. Objective: To develop a method for rapid screening and identification of AChEIs from Yinhuang oral liquid using ultrafiltration–liquid chromatography–electrospray ionization tandem mass spectrometry (UF-LC-ESI-MS/MS). Materials and Methods: In this study, UF incubation conditions such as enzyme concentration, incubation time, and incubation temperature were optimized so as to get better screening results. The AChEIs from Yinhuang oral liquid were identified by high-performance liquid chromatography-ESI-MS and the improved Ellman method was used for the AChE inhibitory activity test in vitro. Results: The results showed that Yinhuang oral liquid can inhibit the activity of AChE. We screened and identified seven compounds with potential AChE inhibitory activity from Yinhuang oral liquid, which provided experimental basis for the treatment and prevention of AD. Conclusion: The current technique was used to directly screen the active ingredients with acetylcholinesterase inhibition from complex traditional Chinese medicine, which was simple, rapid, accurate, and suitable for high-throughput screening of AChEI from complex systems. SUMMARY A UF-LC-ESI-MS/MS method for rapid screening and identification of AChEIs from Yinhuang oral liquid was developedSeven compounds were screened and identified with potential AChE inhibitory activity from Yinhuang oral liquidIt provided experimental basis of Yinhuang oral liquid for the treating and preventing AD. Abbreviations used: (AD): Alzheimer's disease; (UF-LC-ESI-MS/MS): ultrafiltration–liquid chromatography–electrospray ionization tandem mass spectrometry; (AChEIs): acetylcholinesterase inhibitors. PMID:29720840

Supercritical carbon dioxide extraction of electrolyte from spent lithium ion batteries and its characterization by gas chromatography with chemical ionization

NASA Astrophysics Data System (ADS)

Mönnighoff, Xaver; Friesen, Alex; Konersmann, Benedikt; Horsthemke, Fabian; Grützke, Martin; Winter, Martin; Nowak, Sascha

2017-06-01

The aging products of the electrolyte from a commercially available state-of-the-art 18650-type cell were investigated. During long term cycling a huge difference in their performance and lifetime at different temperatures was observed. By interpretation of a strong capacity fading of cells cycled at 20 °C compared to cells cycled at 45 °C a temperature depending aging mechanism was determined. To investigate the influence of the electrolyte on this fading, the electrolyte was extracted by supercritical fluid extraction (SFE) and then analyzed by gas chromatography (GC) with electron impact (EI) ionization and mass selective detection. To obtain more information with regard to the identification of unknown decomposition products further analysis with positive chemical ionization (PCI) and negative chemical ionization (NCI) was performed. 17 different volatile organic aging products were detected and identified. So far, seven of them were not yet known in literature and several formation pathways were postulated taking previously published literature into account.

Gas chromatography-electron ionization-mass spectrometry quantitation of valproic acid and gabapentin, using dried plasma spots, for therapeutic drug monitoring in in-home medical care.

PubMed

Ikeda, Kayo; Ikawa, Kazuro; Yokoshige, Satoko; Yoshikawa, Satoshi; Morikawa, Norifumi

2014-12-01

A simple and sensitive gas chromatography-electron ionization-mass spectrometry (GC-EI-MS) method using dried plasma spot testing cards was developed for determination of valproic acid and gabapentin concentrations in human plasma from patients receiving in-home medical care. We have proposed that a simple, easy and dry sampling method is suitable for in-home medical patients for therapeutic drug monitoring. Therefore, in the present study, we used recently developed commercially available easy handling cards: Whatman FTA DMPK-A and Bond Elut DMS. In-home medical care patients can collect plasma using these simple kits. The spots of plasma on the cards were extracted into methanol and then evaporated to dryness. The residues were trimethylsilylated using N-methyl-N-trimethylsilyltrifluoroacetamide. For GC-EI-MS analysis, the calibration curves on both cards were linear from 10 to 200 µg/mL for valproic acid, and from 0.5 to 10 µg/mL for gabapentin. Intra- and interday precisions in plasma were both ≤13.0% (coefficient of variation), and the accuracy was between 87.9 and 112% for both cards within the calibration curves. The limits of quantification were 10 µg/mL for valproic acid and 0.5 µg/mL for gabapentin on both cards. We believe that the present method will be useful for in-home medical care. Copyright © 2014 John Wiley & Sons, Ltd.

Simultaneous determination of organophosphorus pesticides in fruits and vegetables using atmospheric pressure gas chromatography quadrupole-time-of-flight mass spectrometry.

PubMed

Cheng, Zhipeng; Dong, Fengshou; Xu, Jun; Liu, Xingang; Wu, Xiaohu; Chen, Zenglong; Pan, Xinglu; Gan, Jay; Zheng, Yongquan

2017-09-15

This paper describes the application of atmospheric pressure gas chromatography quadrupole-time-of-flight mass spectrometry for the simultaneous determination of organophosphorus pesticides in apple, pear, tomato, cucumber and cabbage. Soft ionization with atmospheric pressure ionization source was compared with traditional electron impact ionization (EI). The sensitivity of GC coupled to atmospheric pressure ionization (APGC) for all the analytes was enhanced by 1.0-8.2 times. The ionization modes with atmospheric pressure ionization source was studied by comparing the charge-transfer and proton-transfer conditions. The optimized QuEChERs method was used to pretreat the samples. The calibration curves were found linear from 10 to 1000μg/L, obtaining correlation coefficients higher than 0.9845. Satisfactory mean recovery values, in the range of 70.0-115.9%, and satisfactory precision, with all RSD r <19.7% and all RSD R values <19.5% at the three fortified concentration levels for all the fifteen OPPs. The results demonstrate the potential of APGC-QTOF-MS for routine quantitative analysis of organophosphorus pesticide in fruits and vegetables. Copyright © 2017 Elsevier Ltd. All rights reserved.

Alkylphenol metabolites in fish bile as biomarkers of exposure to offshore oil industry produced water in feral fish.

PubMed

Beyer, Jonny; Sundt, Rolf C; Sanni, Steinar; Sydnes, Magne O; Jonsson, Grete

2011-01-01

The measurement of low-concentration alkylphenol (AP) exposure in fish is relevant in connection with monitoring and risk assessment of offshore oil industry produced water (PW) discharges. Detection of AP markers in fish bile offers significantly greater sensitivity than detection of AP in tissues such as liver. Recent studies revealed that gas chromatography-mass spectrometry in electron ionization mode (GC-EI-MS) enabled a selective and sensitive analytical detection of PW AP in mixtures with unknown composition. A procedure consisting of enzymatic deconjugation of metabolites in fish bile followed by derivatization with bis(trimethylsilyl)trifluoroacetamide and then separation and quantification of derivatized AP using GC-EI-MS is presented. The use of this procedure as a possible recommended approach for assessment and biomonitoring of AP contamination in fish populations living down-current from offshore oil production fields is presented.

The evaporation study of silicon-containing ionic liquid

NASA Astrophysics Data System (ADS)

Chilingarov, Norbert S.; Medvedev, Artem A.; Deyko, Grigoriy S.; Kustov, Leonid M.; Chernikova, Elena A.; Glukhov, Lev M.; Polyakova, Marina V.; Ioutsi, Vitaliy A.; Markov, Vitaliy Yu.; Sidorov, Lev N.

2016-07-01

1,2-Dimethyl-3-(1‧,1‧,3‧,3‧-tetramethyl-3‧-phenyldisiloxanyl)methylimidazolium bis(trifluoromethanesulfonyl)amide ([PhC5OSi2MMIm+][Tf2N-]) is the first silicon-containing ionic liquid which was characterized with the vaporization enthalpy, (138.5 ± 1.8) kJ mol-1, and saturated vapor pressure, ln(p/Pa) = -(16656 ± 219)/(T/K) + (30.69 ± 0.92). This compound is a unique ionic liquid giving ions, retaining both cationic and anionic portions, in the electron impact ionization (EI) mass spectrum.

Gas Chromatography-Tandem Mass Spectrometry of Lignin Pyrolyzates with Dopant-Assisted Atmospheric Pressure Chemical Ionization and Molecular Structure Search with CSI:FingerID

NASA Astrophysics Data System (ADS)

Larson, Evan A.; Hutchinson, Carolyn P.; Lee, Young Jin

2018-06-01

Dopant-assisted atmospheric pressure chemical ionization (dAPCI) is a soft ionization method rarely used for gas chromatography-mass spectrometry (GC-MS). The current study combines GC-dAPCI with tandem mass spectrometry (MS/MS) for analysis of a complex mixture such as lignin pyrolysis analysis. To identify the structures of volatile lignin pyrolysis products, collision-induced dissociation (CID) MS/MS using a quadrupole time-of-flight mass spectrometer (QTOFMS) and pseudo MS/MS through in-source collision-induced dissociation (ISCID) using a single stage TOFMS are utilized. To overcome the lack of MS/MS database, Compound Structure Identification (CSI):FingerID is used to interpret CID spectra and predict best matched structures from PubChem library. With this approach, a total of 59 compounds were positively identified in comparison to only 22 in NIST database search of GC-EI-MS dataset. This study demonstrates the effectiveness of GC-dAPCI-MS/MS to overcome the limitations of traditional GC-EI-MS analysis when EI-MS database is not sufficient. [Figure not available: see fulltext.

Comparison of different mass spectrometric approaches coupled to gas chromatography for the analysis of organochlorine pesticides in serum samples.

PubMed

Fang, Jing; Wu, Qian; Zhao, Yun; Zhao, Hongzhi; Xu, Shunqing; Cai, Zongwei

2017-01-01

Gas chromatography-triple quadrupole mass spectrometry (GC-QqQMS) was applied for the determination of eight organochlorine pesticides (OCPs) in human serum. OCPs were extracted from the serum sample by solid phase extraction (SPE) and analyzed by gas chromatography mass spectrometry (GC-MS) or gas chromatography tandem mass spectrometry (GC-MS/MS). Electron ionization (EI) and negative chemical ionization (NCI) under two data acquisition modes, namely selected ion monitoring (SIM) and multiple reaction monitoring (MRM), were compared. The use of MRM generally provided higher selectivity and sensitivity because less interference from the sample matrix existed. The EI mode is more suitable for less electronegative compounds such as dichlorodiphenyldichloroethanes (DDDs) with detection limits ranging from 0.0060 to 0.060ng/mL. In the NCI mode, MRM analysis provided good and lower detection limits (0.0011-0.0030ng/mL) for pesticides containing more chlorines. The methods were validated by analyzing the pesticides in spiked serum at different levels with recoveries ranged from 83% to 116% and relative standard deviations of less than 10%. The developed method was applied for the determination of the OCPs in real human serum samples. Copyright © 2016 Elsevier B.V. All rights reserved.

Fast detection of narcotics by single photon ionization mass spectrometry and laser ion mobility spectrometry

NASA Astrophysics Data System (ADS)

Laudien, Robert; Schultze, Rainer; Wieser, Jochen

2010-10-01

In this contribution two analytical devices for the fast detection of security-relevant substances like narcotics and explosives are presented. One system is based on an ion trap mass spectrometer (ITMS) with single photon ionization (SPI). This soft ionization technique, unlike electron impact ionization (EI), reduces unwanted fragment ions in the mass spectra allowing the clear determination of characteristic (usually molecular) ions. Their enrichment in the ion trap and identification by tandem MS investigations (MS/MS) enables the detection of the target substances in complex matrices at low concentrations without time-consuming sample preparation. For SPI an electron beam pumped excimer light source of own fabrication (E-Lux) is used. The SPI-ITMS system was characterized by the analytical study of different drugs like cannabis, heroin, cocaine, amphetamines, and some precursors. Additionally, it was successfully tested on-site in a closed illegal drug laboratory, where low quantities of MDMA could be directly detected in samples from floors, walls and lab equipments. The second analytical system is based on an ion mobility (IM) spectrometer with resonant multiphoton ionization (REMPI). With the frequency quadrupled Nd:YAG laser (266 nm), used for ionization, a selective and sensitive detection of aromatic compounds is possible. By application of suited aromatic dopants, in addition, also non-aromatic polar compounds are accessible by ion molecule reactions like proton transfer or complex formation. Selected drug precursors could be successfully detected with this device as well, qualifying it to a lower-priced alternative or useful supplement of the SPI-ITMS system for security analysis.

Screening of environmental contaminants in honey bee wax comb using gas chromatography-high-resolution time-of-flight mass spectrometry.

PubMed

Gómez-Ramos, M M; García-Valcárcel, A I; Tadeo, J L; Fernández-Alba, A R; Hernando, M D

2016-03-01

This study reports an analytical approach intended to be used for investigation of non-targeted environmental contaminants and to characterize the organic pollution pattern of bee wax comb samples. The method comprises a generic extraction followed by detection with gas chromatography coupled to high-resolution time-of-flight mass spectrometry (GC-TOF-MS), operated in electron impact ionization (EI) mode. The screening approach for the investigation of non-targeted contaminants consisted of initial peak detection by deconvolution and matching the first-stage mass spectra EI-MS(1) with a nominal mass spectral library. To gain further confidence in the structural characterization of the contaminants under investigation, the molecular formula of representative ions (molecular ion when present in the EI spectrum) and, for at least other two fragment ions, was provided for those with an accurate mass scoring (mass error < 5 ppm). This methodology was applied for screening environmental contaminants in 50 samples of bee wax comb. This approach has allowed the tentative identification of some GC-amenable contaminants belonging to different chemical groups, among them, phthalates and polycyclic aromatic hydrocarbons (PAHs), along with residues of veterinary treatments used in apiculture.

Determination of red blood cell fatty acid profiles: Rapid and high-confident analysis by chemical ionization-gas chromatography-tandem mass spectrometry.

PubMed

Schober, Yvonne; Wahl, Hans Günther; Renz, Harald; Nockher, Wolfgang Andreas

2017-01-01

Cellular fatty acid (FA) profiles have been acknowledged as biomarkers in various human diseases. Nevertheless, common FA analysis by gas chromatography mass spectrometry (GC-MS) requires long analysis time. Hence, there is a need for feasible methods for high throughput analysis in clinical studies. FA was extracted from red blood cells (RBC) and derivatized to fatty acid methyl esters (FAME). A method using gas chromatography tandem mass spectrometry (GC-MS/MS) with ammonia-induced chemical ionization (CI) was developed for the analysis of FA profiles in human RBC. We compared this method with classical single GC-MS using electron impact ionization (EI). The FA profiles of 703 RBC samples were determined by GC-MS/MS. In contrast to EI ammonia-induced CI resulted in adequate amounts of molecular ions for further fragmentation of FAME. Specific fragments for confident quantification and fragmentation were determined for 45 FA. The GC-MS/MS method has a total run time of 9min compared to typical analysis times of up to 60min in conventional GC-MS. Intra and inter assay variations were <10% for all FA analyzed. Analysis of RBC FA composition revealed an age-dependent increase of the omega-3 eicosapentaenoic and docosahexaenoic acid, and a decline of the omega-6 linoleic acid with a corresponding rise of the omega-3 index. The combination of ammonia-induced CI and tandem mass spectrometry after GC separation allows for high-throughput, robust and confident analysis of FA profiles in the clinical laboratory. Copyright © 2016. Published by Elsevier B.V.

Reprint of: Ionization probabilities of Ne, Ar, Kr, and Xe by proton impact for different initial states and impact energies

NASA Astrophysics Data System (ADS)

Montanari, C. C.; Miraglia, J. E.

2018-01-01

In this contribution we present ab initio results for ionization total cross sections, probabilities at zero impact parameter, and impact parameter moments of order +1 and -1 of Ne, Ar, Kr, and Xe by proton impact in an extended energy range from 100 keV up to 10 MeV. The calculations were performed by using the continuum distorted wave eikonal initial state approximation (CDW-EIS) for energies up to 1 MeV, and using the first Born approximation for larger energies. The convergence of the CDW-EIS to the first Born above 1 MeV is clear in the present results. Our inner-shell ionization cross sections are compared with the available experimental data and with the ECPSSR results. We also include in this contribution the values of the ionization probabilities at the origin, and the impact parameter dependence. These values have been employed in multiple ionization calculations showing very good description of the experimental data. Tables of the ionization probabilities are presented, disaggregated for the different initial bound states, considering all the shells for Ne and Ar, the M-N shells of Kr and the N-O shells of Xe.

A background correction algorithm for Van Allen Probes MagEIS electron flux measurements

DOE PAGES

Claudepierre, S. G.; O'Brien, T. P.; Blake, J. B.; ...

2015-07-14

We describe an automated computer algorithm designed to remove background contamination from the Van Allen Probes Magnetic Electron Ion Spectrometer (MagEIS) electron flux measurements. We provide a detailed description of the algorithm with illustrative examples from on-orbit data. We find two primary sources of background contamination in the MagEIS electron data: inner zone protons and bremsstrahlung X-rays generated by energetic electrons interacting with the spacecraft material. Bremsstrahlung X-rays primarily produce contamination in the lower energy MagEIS electron channels (~30–500 keV) and in regions of geospace where multi-M eV electrons are present. Inner zone protons produce contamination in all MagEIS energymore » channels at roughly L < 2.5. The background-corrected MagEIS electron data produce a more accurate measurement of the electron radiation belts, as most earlier measurements suffer from unquantifiable and uncorrectable contamination in this harsh region of the near-Earth space environment. These background-corrected data will also be useful for spacecraft engineering purposes, providing ground truth for the near-Earth electron environment and informing the next generation of spacecraft design models (e.g., AE9).« less

Fundamentals of ambient metastable-induced chemical ionization mass spectrometry and atmospheric pressure ion mobility spectrometry

NASA Astrophysics Data System (ADS)

Harris, Glenn A.

Molecular ionization is owed much of its development from the early implementation of electron ionization (EI). Although dramatically increasing the library of compounds discovered, an inherent problem with EI was the low abundance of molecular ions detected due to high fragmentation leading to the difficult task of the correct chemical identification after mass spectrometry (MS). These problems stimulated the research into new ionization methods which sought to "soften" the ionization process. In the late 1980s the advancements of ionization techniques was thought to have reached its pinnacle with both electrospray ionization (ESI) and matrix-assisted laser desorption/ionization (MALDI). Both ionization techniques allowed for "soft" ionization of large molecular weight and/or labile compounds for intact characterization by MS. Albeit pervasive, neither ESI nor MALDI can be viewed as "magic bullet" ionization techniques. Both techniques require sample preparation which often included native sample destruction, and operation of these techniques took place in sealed enclosures and often, reduced pressure conditions. New open-air ionization techniques termed "ambient MS" enable direct analysis of samples of various physical states, sizes and shapes. One particular technique named Direct Analysis In Real Time (DART) has been steadily growing as one of the ambient tools of choice to ionize small molecular weight (< 1000 Da) molecules with a wide range of polarities. Although there is a large list of reported applications using DART as an ionization source, there have not been many studies investigating the fundamental properties of DART desorption and ionization mechanisms. The work presented in this thesis is aimed to provide in depth findings on the physicochemical phenomena during open-air DART desorption and ionization MS and current application developments. A review of recent ambient plasma-based desorption/ionization techniques for analytical MS is presented in Chapter 1. Chapter 2 presents the first investigations into the atmospheric pressure ion transport phenomena during DART analysis. Chapter 3 provides a comparison on the internal energy deposition processes during DART and pneumatically assisted-ESI. Chapter 4 investigates the complex spatially-dependent sampling sensitivity, dynamic range and ion suppression effects present in most DART experiments. New implementations and applications with DART are shown in Chapters 5 and 6. In Chapter 5, DART is coupled to multiplexed drift tube ion mobility spectrometry as a potential fieldable platform for the detection of toxic industrial chemicals and chemical warfare agents simulants. In Chapter 6, transmission-mode DART is shown to be an effective method for reproducible sampling from materials which allow for gas to flow through it. Also, Chapter 6 provides a description of a MS imaging platform coupling infrared laser ablation and DART-like phenomena. Finally, in Chapter 7 I will provide perspective on the work completed with DART and the tasks and goals that future studies should focus on.

Track structure of protons and other light ions in liquid water: applications of the LIonTrack code at the nanometer scale.

PubMed

Bäckström, G; Galassi, M E; Tilly, N; Ahnesjö, A; Fernández-Varea, J M

2013-06-01

The LIonTrack (Light Ion Track) Monte Carlo (MC) code for the simulation of H(+), He(2+), and other light ions in liquid water is presented together with the results of a novel investigation of energy-deposition site properties from single ion tracks. The continuum distorted-wave formalism with the eikonal initial state approximation (CDW-EIS) is employed to generate the initial energy and angle of the electrons emitted in ionizing collisions of the ions with H2O molecules. The model of Dingfelder et al. ["Electron inelastic-scattering cross sections in liquid water," Radiat. Phys. Chem. 53, 1-18 (1998); "Comparisons of calculations with PARTRAC and NOREC: Transport of electrons in liquid water," Radiat. Res. 169, 584-594 (2008)] is linked to the general-purpose MC code PENELOPE/penEasy to simulate the inelastic interactions of the secondary electrons in liquid water. In this way, the extended PENELOPE/penEasy code may provide an improved description of the 3D distribution of energy deposits (EDs), making it suitable for applications at the micrometer and nanometer scales. Single-ionization cross sections calculated with the ab initio CDW-EIS formalism are compared to available experimental values, some of them reported very recently, and the theoretical electronic stopping powers are benchmarked against those recommended by the ICRU. The authors also analyze distinct aspects of the spatial patterns of EDs, such as the frequency of nearest-neighbor distances for various radiation qualities, and the variation of the mean specific energy imparted in nanoscopic targets located around the track. For 1 MeV/u particles, the C(6+) ions generate about 15 times more clusters of six EDs within an ED distance of 3 nm than H(+). On average clusters of two to three EDs for 1 MeV/u H(+) and clusters of four to five EDs for 1 MeV/u C(6+) could be expected for a modeling double strand break distance of 3.4 nm.

Characterizing Vaccinium berry Standard Reference Materials by GC-MS using NIST spectral libraries.

PubMed

Lowenthal, Mark S; Andriamaharavo, Nirina R; Stein, Stephen E; Phinney, Karen W

2013-05-01

A gas chromatography-mass spectrometry (GC-MS)-based method was developed for qualitative characterization of metabolites found in Vaccinium fruit (berry) dietary supplement Standard Reference Materials (SRMs). Definitive identifications are provided for 98 unique metabolites determined among six Vaccinium-related SRMs. Metabolites were enriched using an organic liquid/liquid extraction, and derivatized prior to GC-MS analysis. Electron ionization (EI) fragmentation spectra were searched against EI spectra of authentic standards compiled in the National Institute of Standards and Technology's mass spectral libraries, as well as spectra selected from the literature. Metabolite identifications were further validated using a retention index match along with prior probabilities and were compared with results obtained in a previous effort using collision-induced dissociation (CID) MS/MS datasets from liquid chromatography coupled to mass spectrometry experiments. This manuscript describes a nontargeted metabolite profile of Vaccinium materials, compares results among related materials and from orthogonal experimental platforms, and discusses the feasibility and development of using mass spectral library matching for nontargeted metabolite identification.

Elucidating the mass spectrum of the retronecine alkaloid using DFT calculations.

PubMed

Modesto-Costa, Lucas; Martinez, Sabrina T; Pinto, Angelo C; Vessecchi, Ricardo; Borges, Itamar

2018-06-23

Pyrrolizidine alkaloids are natural molecules playing important roles in different biochemical processes in nature and in humans. In this work, the electron ionization mass spectrum (EI-MS) of retronecine, an alkaloid molecule found in plants, is investigated computationally. Its mass spectrum can be characterized by three main fragment ions having the following m/z ratios: 111, 94 and 80. In order to rationalize the mass spectrum, minima and transition state geometries were computed using density functional theory (DFT). It was showed that the dissociation process includes an aromatization of the originally five-membered ring of retronecine converted into a six-membered ring compound. A fragmentation pathway mechanism involving dissociation activation barriers that are easily overcome by the initial ionization energy was found. From the computed quantum chemical geometric, atomic charges and energetic parameters, the abundance of each ion in the mass spectrum of retronecine was discussed. This article is protected by copyright. All rights reserved.

Dispersive liquid-liquid microextraction and gas chromatography accurate mass spectrometry for extraction and non-targeted profiling of volatile and semi-volatile compounds in grape marc distillates.

PubMed

Fontana, Ariel; Rodríguez, Isaac; Cela, Rafael

2018-04-20

The suitability of dispersive liquid-liquid microextraction (DLLME) and gas chromatography accurate mass spectrometry (GC-MS), based on a time-of-flight (TOF) MS analyzer and using electron ionization (EI), for the characterization of volatile and semi-volatile profiles of grape marc distillates (grappa) are evaluated. DLLME conditions are optimized with a selection of compounds, from different chemical families, present in the distillate spirit. Under final working conditions, 2.5 mL of sample and 0.5 mL of organic solvents are consumed in the sample preparation process. The absolute extraction efficiencies ranged from 30 to 100%, depending on the compound. For the same sample volume, DLLME provided higher responses than solid-phase microextraction (SPME) for most of the model compounds. The GC-EI-TOF-MS records of grappa samples were processed using a data mining non-targeted search algorithm. In this way, chromatographic peaks and accurate EI-MS spectra of sample components were linked. The identities of more than 140 of these components are proposed from comparison of their accurate spectra with those in a low resolution EI-MS database, accurate masses of most intense fragment ions of known structure, and available chromatographic retention index. The use of chromatographic and spectral data, associated to the set of components mined from different grappa samples, for multivariate analysis purposes is also illustrated in the study. Copyright © 2018 Elsevier B.V. All rights reserved.

Water-soluble drug partitioning and adsorption in HEMA/MAA hydrogels.

PubMed

Dursch, Thomas J; Taylor, Nicole O; Liu, David E; Wu, Rong Y; Prausnitz, John M; Radke, Clayton J

2014-01-01

Two-photon confocal microscopy and back extraction with UV/Vis-absorption spectrophotometry quantify equilibrium partition coefficients, k, for six prototypical drugs in five soft-contact-lens-material hydrogels over a range of water contents from 40 to 92%. Partition coefficients were obtained for acetazolamide, caffeine, hydrocortisone, Oregon Green 488, sodium fluorescein, and theophylline in 2-hydroxyethyl methacrylate/methacrylic acid (HEMA/MAA, pKa≈5.2) copolymer hydrogels as functions of composition, aqueous pH (2 and 7.4), and salinity. At pH 2, the hydrogels are nonionic, whereas at pH 7.4, hydrogels are anionic due to MAA ionization. Solute adsorption on and nonspecific electrostatic interaction with the polymer matrix are pronounced. To express deviation from ideal partitioning, we define an enhancement or exclusion factor, E ≡ k/φ1, where φ1 is hydrogel water volume fraction. All solutes exhibit E > 1 in 100 wt % HEMA hydrogels owing to strong specific adsorption to HEMA strands. For all solutes, E significantly decreases upon incorporation of anionic MAA into the hydrogel due to lack of adsorption onto charged MAA moieties. For dianionic sodium fluorescein and Oregon Green 488, and partially ionized monoanionic acetazolamide at pH 7.4, however, the decrease in E is more severe than that for similar-sized nonionic solutes. Conversely, at pH 2, E generally increases with addition of the nonionic MAA copolymer due to strong preferential adsorption to the uncharged carboxylic-acid group of MAA. For all cases, we quantitatively predict enhancement factors for the six drugs using only independently obtained parameters. In dilute solution for solute i, Ei is conveniently expressed as a product of individual enhancement factors for size exclusion (Ei(ex)), electrostatic interaction (Ei(el)), and specific adsorption (Ei(ad)):Ei≡Ei(ex)Ei(el)Ei(ad). To obtain the individual enhancement factors, we employ an extended Ogston mesh-size distribution for Ei(ex); Donnan equilibrium for Ei(el); and Henry's law characterizing specific adsorption to the polymer chains for Ei(ad). Predicted enhancement factors are in excellent agreement with experiment. Copyright © 2013 Elsevier Ltd. All rights reserved.

Development of a headspace GC/MS analysis for carbonyl compounds (aldehydes and ketones) in household products after derivatization with o-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine.

PubMed

Sugaya, Naeko; Sakurai, Katsumi; Nakagawa, Tomoo; Onda, Nobuhiko; Onodera, Sukeo; Morita, Masatoshi; Tezuka, Masakatsu

2004-05-01

Carbonyl compounds (aldehydes and ketones) are suspected to be among the chemical compounds responsible for Sick Building Syndrome and Multiple Chemical Sensitivities. A headspace gas chromatography/mass spectrometry (GC/MS) analysis for these compounds was developed using derivatization of the compounds into volatile derivatives with o-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine (PFBOA). For GC/MS detection, two ionization modes including electron impact ionization (EI) and negative chemical ionization (NCI) were compared. The NCI mode seemed to be better because of its higher selectivity and sensitivity. This headspace GC/MS (NCI mode) was employed as analysis for aldehydes and ketones in materials (fiber products, adhesives, and printed materials). Formaldehyde was detected in the range of N.D. (not detected) to 39 microg/g; acetaldehyde, N.D. to 4.1 microg/g; propionaldehyde, N.D. to 1.0 microg/g; n-butyraldehyde, N.D. to 0.10 microg/g; and acetone, N.D. to 3.1 microg/g in the samples analyzed.

Detection of transient radical cations in electron transfer-initiated Diels-Alder reactions by electrospray ionization mass spectrometry.

PubMed

Fürmeier, Sven; Metzger, Jürgen O

2004-11-10

The coupling of a simple microreactor to an atmospheric pressure ion source, such as electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI), allows the investigation of reactions in solution by mass spectrometry. The tris(p-bromophenyl)aminium hexachloroantimonate (1(*)(+)SbCl(6)(-))-initiated reactions of phenylvinylsulfide (2) and cyclopentadiene (3) and of trans-anethole (5) and isoprene (6) and the dimerization of 1,3-cyclohexadiene (8) to give the respective Diels-Alder products were studied. These preparatively interesting reactions proceed as radical cation chain reactions via the transient radical cations of the respective dienophiles and of the respective Diels-Alder addition products. These radical cations could be detected directly and characterized unambiguously in the reacting solution by ESI-MS-MS. The identity was confirmed by comparison with MS-MS spectra of the authentic radical cations obtained by APCI-MS and by CID experiments of the corresponding molecular ions generated by EI-MS. In addition, substrates and products could be monitored easily in the reacting solution by APCI-MS.

Solid-phase extraction-gas chromatography and solid-phase extraction-gas chromatography-mass spectrometry determination of corrosion inhibiting long-chain primary alkyl amines in chemical treatment of boiler water in water-steam systems of power plants.

PubMed

Kusch, Peter; Knupp, Gerd; Hergarten, Marcus; Kozupa, Marian; Majchrzak, Maria

2006-04-28

Gas chromatography with simultaneous flame-ionization detection (FID) and a nitrogen-phosphorus detection (NPD) as well as gas chromatography-mass spectrometry (GC/MS) has been used to characterize long-chain primary alkyl amines after derivatization with trifluoroacetic anhydride (TFAA). Electron impact ionization- (EI) and negative chemical ionization (NCI) mass spectra of trifluoroacetylated derivatives of the identified tert-octadecylamines are presented for the first time. The corrosion inhibiting alkyl amines were applied in a water-steam circuit of energy systems in the power industry. Solid-phase extraction (SPE) with octadecyl bonded silica (C18) sorbents followed by gas chromatography were used for quantification of the investigated tert-octadecylamines in boiler water, superheated steam and condensate samples from the power plant. The estimated values were: 89 microg l(-1)(n = 5, RSD = 7.8%), 45 microg l(-1) (n = 5, RSD = 5.4%) and 37 microg l(-1)(n = 5, RSD = 2.3%), respectively.

Product ion tandem mass spectrometric differentiation of regioisomeric side-chain groups in cathinone derivatives.

PubMed

Abiedalla, Younis; DeRuiter, Jack; Clark, C Randall

2016-07-30

Precursor materials are available to prepare aminoketone drugs containing regioisomeric propyl and isopropyl side-chain groups related to the drug alpha-pyrrovalerone (Flakka) and MDPV (3,4-methylenedioxypyrrovalerone). These compounds yield equivalent regioisomeric iminium cation base peaks in electron ionization mass spectrometry (EI-MS). The propyl and isopropyl side-chain groups related to alpha-pyrrovalerone and MDPV were prepared and evaluated in EI-MS and tandem mass spectrometry (MS/MS) product ion experiments. Deuterium labeling in both the pyrrolidine and alkyl side-chain groups allowed for the confirmation of the structures for the major product ions formed from the regioisomeric EI-MS iminium cation base peaks. These iminium cation base peaks show characteristic product ion spectra which allow differentiation of the side-chain propyl and isopropyl groups in the structure. The n-propyl side chain containing iminium cation base peak (m/z 126) in the EI-MS spectrum yields a major product ion at m/z 84 while the regioisomeric m/z 126 base peak for the isopropyl side chain yields a characteristic product ion at m/z 70. Deuterium labeling in both the pyrrolidine ring and the alkyl side chain confirmed the process for the formation of these major product ions. Product ion fragmentation provides useful data for differentiation of n-propyl and isopropyl side-chain iminium cations from cathinone derivative drugs of abuse. Regioisomeric n-propyl and isopropyl iminium cations of equal mass yield characteristic product ions identifying the alkyl side-chain regioisomers in the pyrrolidine cathinone derivatives. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Application of selected ion monitoring to the analysis of triacylglycerols in olive oil by high temperature-gas chromatography/mass spectrometry.

PubMed

Ruiz-Samblás, C; González-Casado, A; Cuadros-Rodríguez, L; García, F P Rodríguez

2010-06-30

The analysis of the triacylglycerol (TAG) composition of oils is a very challenging task, since the TAGs have very similar physico-chemical properties. In this work, a high temperature-gas chromatographic method coupled to electron ionization-mass spectrometry (HT-GC/EI-MS), in the Selected Ion Monitoring (SIM) mode, method was developed for the analysis of TAGs in the olive oil; this is a method suitable for routine analysis. This method was developed using commercially available standard TAGs. The TAGs studied were separated according to their equivalent carbon number and degree of unsaturation. The peak assignment was carried out by locating the characteristic fragment ions having the same retention time on the SIM profile such as [RCO+74](+) and [RCO+128](+) ions, due to the fatty acyl residues on sn-1, sn-2 and sn-3 positions of the TAG molecule and the [M-OCOR](+) ions corresponding to the acyl ions. The developed method was very useful to eliminate the interferences that appeared in the mass spectrum since electron ionization can prevent satisfactory interpretation of spectra. Copyright 2010 Elsevier B.V. All rights reserved.

Application of Lithium Attachment Mass Spectrometry for Knudsen Evaporation and Chemical Ionisation Mass Spectrometry (KEMS, CIMS)

NASA Astrophysics Data System (ADS)

Bannan, T.; Booth, M.; Benyezzar, M.; Bacak, A.; Alfarra, M. R. R.; Topping, D. O.; Percival, C.

2015-12-01

Lithium ion attachment mass spectrometry provides a non-specific, non-fragmenting and sensitive method for detection of volatile species in the gas phase. The design, manufacture, and results from lithium ion attachment ionisation sources for two mass spectrometry systems are presented. Trace gas analysis is investigated using a modified Chemical Ionization Mass Spectrometer (CIMS) and vapour pressure (VP) measurements using a modified Knudsen Effusion Mass Spectrometer (KEMS) are presented. The Li+ modified CIMS provided limits of detection of 4 ppt for acetone, 0.2 ppt for formic acid, 15 ppt for nitric acid and 120 ppt from ammonia. Despite improvements, the problem of burnout remained persistent. The Li+ CIMS would unlikely be suitable for field or aircraft work, but could be appropriate for certain lab applications. The KEMS currently utilizes an electron impact (EI) ionisation source which provides a highly sensitive source, with the drawback of fragmentation of ionized molecules (Booth et al., 2009). Using Li+ KEMS the VP of samples can be measured without fragmentation and can therefore be used to identify VPs of individual components in mixtures. The validity of using Li+ for determining the VP of mixtures was tested by making single component VP measurements, which showed good agreement with EI measurements of Poly ethylene glycol (PEG) 3 and PEG 4, both when individually measured and when mixed. The Li+ KEMS was then used to investigate a system of atmospheric relevance, α-pinene secondary organic aerosol, generated in a reaction chamber (Alfarra et al., 2012). The VPs of the individual components from this generated sample are within the range we expect for compounds capable of partitioning between the particle and gas phase of an aerosol (0.1-10-5 Pa). Li+ source has a calculated sensitivity approximately 75 times less than that of EI, but the lack of fragmentation using the Li+ source is a significant advantage.

Application of Lithium Attachment Mass Spectrometry for Knudsen Evaporation and Chemical Ionisation Mass Spectrometry (KEMS, CIMS)

NASA Astrophysics Data System (ADS)

Bannan, Thomas; Booth, A. Murray; Alfarra, Rami; Bacak, Asan; Pericval, Carl

2016-04-01

Lithium ion attachment mass spectrometry provides a non-specific, non-fragmenting and sensitive method for detection of volatile species in the gas phase. The design, manufacture, and results from lithium ion attachment ionisation sources for two mass spectrometry systems are presented. Trace gas analysis is investigated using a modified Chemical Ionization Mass Spectrometer (CIMS) and vapour pressure (VP) measurements using a modified Knudsen Effusion Mass Spectrometer (KEMS) are presented. The Li+ modified CIMS provided limits of detection of 4 ppt for acetone, 0.2 ppt for formic acid, 15 ppt for nitric acid and 120 ppt from ammonia. Despite improvements, the problem of burnout remained persistent. The Li+ CIMS would unlikely be suitable for field or aircraft work, but could be appropriate for certain lab applications. The KEMS currently utilizes an electron impact (EI) ionisation source which provides a highly sensitive source, with the drawback of fragmentation of ionized molecules (Booth et al., 2009). Using Li+ KEMS the VP of samples can be measured without fragmentation and can therefore be used to identify VPs of individual components in mixtures. The validity of using Li+ for determining the VP of mixtures was tested by making single component VP measurements, which showed good agreement with EI measurements of Poly ethylene glycol (PEG) 3 and PEG 4, both when individually measured and when mixed. The Li+ KEMS was then used to investigate a system of atmospheric relevance, α-pinene secondary organic aerosol, generated in a reaction chamber (Alfarra et al., 2012). The VPs of the individual components from this generated sample are within the range we expect for compounds capable of partitioning between the particle and gas phase of an aerosol (0.1-10-5 Pa). Li+ source has a calculated sensitivity approximately 75 times less than that of EI, but the lack of fragmentation using the Li+ source is a significant advantage.

e-NEPA Guide On Registration And Preparing An EIS For Electronic Submission

EPA Pesticide Factsheets

The Guide to e-NEPA Electronic Submittal contains information about e-NEPA, how to register for e-NEPA, and how to prepare your Environmental Impact Statement (EIS) for electronic submission through e-NEPA.

Profiling of Fatty Acids Composition in Suet Oil Based on GC–EI-qMS and Chemometrics Analysis

PubMed Central

Jiang, Jun; Jia, Xiaobin

2015-01-01

Fatty acid (FA) composition of suet oil (SO) was measured by precolumn methylesterification (PME) optimized using a Box–Behnken design (BBD) and gas chromatography/electron ionization-quadrupole mass spectrometry (GC–EI-qMS). A spectral library (NIST 08) and standard compounds were used to identify FAs in SO representing 90.89% of the total peak area. The ten most abundant FAs were derivatized into FA methyl esters (FAMEs) and quantified by GC–EI-qMS; the correlation coefficient of each FAME was 0.999 and the lowest concentration quantified was 0.01 μg/mL. The range of recovery of the FAMEs was 82.1%–98.7% (relative standard deviation 2.2%–6.8%). The limits of quantification (LOQ) were 1.25–5.95 μg/L. The number of carbon atoms in the FAs identified ranged from 12 to 20; hexadecanoic and octadecanoic acids were the most abundant. Eighteen samples of SO purchased from Qinghai, Anhui and Jiangsu provinces of China were categorized into three groups by principal component analysis (PCA) according to the contents of the most abundant FAs. The results showed SOs samples were rich in FAs with significantly different profiles from different origins. The method described here can be used for quality control and SO differentiation on the basis of the FA profile. PMID:25636032

Mass spectrometry of selective androgen receptor modulators.

PubMed

Thevis, Mario; Schänzer, Wilhelm

2008-07-01

Nonsteroidal selective androgen receptor modulators (SARMs) are an emerging class of drugs for treatment of various diseases including osteoporosis and muscle wasting as well as the correction of age-related functional decline such as muscle strength and power. Several SARMs, which have advanced to preclinical and clinical trials, are composed of diverse chemical structures including arylpropionamide-, bicyclic hydantoin-, quinoline-, and tetrahydroquinoline-derived nuclei. Since January 2008, SARMs have been categorized as anabolic agents and prohibited by the World Anti-Doping Agency (WADA). Suitable detection methods for these low-molecular weight drugs were based on mass spectrometric approaches, which necessitated the elucidation of dissociation pathways in order to characterize and identify the target analytes in doping control samples as well as potential metabolic products and synthetic analogs. Fragmentation patterns of representatives of each category of SARMs after electrospray ionization (ESI) and collision-induced dissociation (CID) as well as electron ionization (EI) are summarized. The complexity and structural heterogeneity of these drugs is a daunting challenge for detection methods. Copyright 2008 John Wiley & Sons, Ltd.

Gas chromatographic quadrupole time-of-flight full scan high resolution mass spectrometric screening of human urine in antidoping analysis.

PubMed

Abushareeda, Wadha; Lyris, Emmanouil; Kraiem, Suhail; Wahaibi, Aisha Al; Alyazidi, Sameera; Dbes, Najib; Lommen, Arjen; Nielen, Michel; Horvatovich, Peter L; Alsayrafi, Mohammed; Georgakopoulos, Costas

2017-09-15

This paper presents the development and validation of a high-resolution full scan (FS) electron impact ionization (EI) gas chromatography coupled to quadrupole Time-of-Flight mass spectrometry (GC/QTOF) platform for screening anabolic androgenic steroids (AAS) in human urine samples. The World Antidoping Agency (WADA) enlists AAS as prohibited doping agents in sports, and our method has been developed to comply with the qualitative specifications of WADA to be applied for the detection of sports antidoping prohibited substances, mainly for AAS. The method also comprises of the quantitative analysis of the WADA's Athlete Biological Passport (ABP) endogenous steroidal parameters. The applied preparation of urine samples includes enzymatic hydrolysis for the cleavage of the Phase II glucuronide conjugates, generic liquid-liquid extraction and trimethylsilyl (TMS) derivatization steps. Tandem mass spectrometry (MS/MS) acquisition was applied on few selected ions to enhance the specificity and sensitivity of GC/TOF signal of few compounds. The full scan high resolution acquisition of analytical signal, for known and unknown TMS derivatives of AAS provides the antidoping system with a new analytical tool for the detection designer drugs and novel metabolites, which prolongs the AAS detection, after electronic data files' reprocessing. The current method is complementary to the respective liquid chromatography coupled to mass spectrometry (LC/MS) methodology widely used to detect prohibited molecules in sport, which cannot be efficiently ionized with atmospheric pressure ionization interface. Copyright © 2017 Elsevier B.V. All rights reserved.

Isomeric discrimination of synthetic cannabinoids by GC-EI-MS: 1-adamantyl and 2-adamantyl isomers of N-adamantyl carboxamides.

PubMed

Asada, Akiko; Doi, Takahiro; Tagami, Takaomi; Takeda, Akihiro; Sawabe, Yoshiyuki

2017-03-01

N-(1-adamantyl)-1-pentyl-1H-indazole-3-carboxamide (APINACA) and N-(1-adamantyl)-1-pentyl-1H-indole-3-carboxamide (APICA) are carboxamide-type synthetic cannabinoids comprising indazole/indole-3-carboxylic acid and adamantan-1-amine moieties. However, in the case of compounds like APINACA or APICA, adamantyl positional isomers exist, wherein either adamantan-1-amine or adamantan-2-amine is present. These adamantyl positional isomers have not been reported in previous studies, and no analytical data are available. To avoid misidentification of adamantyl carboxamide-type synthetic cannabinoids, it is important to develop methods to discriminate these adamantyl positional isomers. In this study, we report the analytical characterization by gas chromatography-electron ionization-mass spectrometry (GC-EI-MS). For providing analytical standards, we synthesized eight carboxamide-type synthetic cannabinoids (APINACA 2-adamantyl isomer, APICA 2-adamantyl isomer, 5 F-APINACA 2-adamantyl isomer, 5 F-APICA 2-adamantyl isomer, 5Cl-APINACA, 5Cl-APINACA 2-adamantyl isomer, adamantyl-THPINACA, 2-adamantyl-THPINACA) and purchased four 1-adamantyl derivatives (APINACA, APICA, 5 F-APINACA, 5 F-APICA). Although the retention times of the isomers are similar, 1-adamantyl carboxamides can be clearly discriminated from their 2-adamantyl isomers based on their different fragmentation patterns in the EI-MS spectra. Specifically, EI-MS spectra for adamantylindazole carboxamides showed remarkable differences between the 1-adamantyl and 2-adamantyl isomers. On the other hand, EI-MS spectra for adamantylindole carboxamides were similar, but the diagnostic ions of the 2-adamantyl isomers were observed. The method described herein was applicable to all compounds tested in this study and is expected to be of use for isomeric differentiation between other untested adamantyl carboxamide-type synthetic cannabinoids. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Statistical analysis of fragmentation patterns of electron ionization mass spectra of enolized-trimethylsilylated anabolic androgenic steroids

NASA Astrophysics Data System (ADS)

Fragkaki, A. G.; Angelis, Y. S.; Tsantili-Kakoulidou, A.; Koupparis, M.; Georgakopoulos, C.

2009-08-01

Anabolic androgenic steroids (AAS) are included in the List of prohibited substances of the World Anti-Doping Agency (WADA) as substances abused to enhance athletic performance. Gas chromatography coupled to mass spectrometry (GC-MS) plays an important role in doping control analyses identifying AAS as their enolized-trimethylsilyl (TMS)-derivatives using the electron ionization (EI) mode. This paper explores the suitability of complementary GC-MS mass spectra and statistical analysis (principal component analysis, PCA and partial least squares-discriminant analysis, PLS-DA) to differentiate AAS as a function of their structural and conformational features expressed by their fragment ions. The results obtained showed that the application of PCA yielded a classification among the AAS molecules which became more apparent after applying PLS-DA to the dataset. The application of PLS-DA yielded a clear separation among the AAS molecules which were, thus, classified as: 1-ene-3-keto, 3-hydroxyl with saturated A-ring, 1-ene-3-hydroxyl, 4-ene-3-keto, 1,4-diene-3-keto and 3-keto with saturated A-ring anabolic steroids. The study of this paper also presents structurally diagnostic fragment ions and dissociation routes providing evidence for the presence of unknown AAS or chemically modified molecules known as designer steroids.

77 FR 47839 - Environmental Impacts Statements; Notice of Availability

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-10

... electronic reporting site-- https://cdx.epa.gov/epa_home.asp EIS No. 20120257, Final EIS, BR, CA, San Joaquin... No. 20120262, Draft EIS, BR, CA, San Luis Reservoir State Recreation Area Resource Management Plan...

Free fatty acid profiling of marine sentinels by nanoLC-EI-MS for the assessment of environmental pollution effects.

PubMed

Albergamo, Ambrogina; Rigano, Francesca; Purcaro, Giorgia; Mauceri, Angela; Fasulo, Salvatore; Mondello, Luigi

2016-11-15

The present work aims to elucidate the free fatty acid (FFA) profile of the mussel Mytilus galloprovincialis caged in an anthropogenically impacted area and in a reference site through an innovative and validated analytical approach for the assessment of biological alterations induced by marine pollution. The FFA pattern is involved in the regulation of different cellular pathways and differs with respect to metabolic stimuli. To this purpose, the lipid fraction of mussels coming from both sampling areas was extracted and the FFA fractions were isolated and purified by a solid phase extraction; then, nano-scale liquid chromatography coupled to electron ionization mass spectrometry (nanoLC-EI-MS) was employed for the characterization of the two samples. A total of 19 and 17 FFAs were reliably identified in the mussels coming from the reference and polluted site, respectively. Significant qualitative and quantitative differences found in saturated, monounsaturated and polyunsaturated species may be exploited as typical pollution biomarkers (e.g. alteration of the fatty acid biosynthetic system and lipotoxicity) and explain adverse and compromising effects (e.g. oxidative stress and inflammatory processes) related to environmental pollution. Copyright © 2016 Elsevier B.V. All rights reserved.

Collisional damping rates for electron plasma waves reassessed

DOE Office of Scientific and Technical Information (OSTI.GOV)

Banks, J. W.; Brunner, S.; Berger, R. L.

Collisional damping of electron plasma waves, the primary damping for high phase velocity waves, is proportional to the electron-ion collision rate, ν ei,th. Here in this work, it is shown that the damping rate normalized to ν ei,th depends on the charge state, Z, on the magnitude of ν ei,th and the wave number k in contrast with the commonly used damping rate in plasma wave research. Only for weak collision rates in low-Z plasmas for which the electron self-collision rate is comparable to the electron-ion collision rate is the damping rate given by the commonly accepted value. The resultmore » presented here corrects the result presented in textbooks at least as early as 1973. Lastly, the complete linear theory requires the inclusion of both electron-ion pitch-angle and electron-electron scattering, which itself contains contributions to both pitch-angle scattering and thermalization.« less

Collisional damping rates for electron plasma waves reassessed

DOE PAGES

Banks, J. W.; Brunner, S.; Berger, R. L.; ...

2017-10-13

Collisional damping of electron plasma waves, the primary damping for high phase velocity waves, is proportional to the electron-ion collision rate, ν ei,th. Here in this work, it is shown that the damping rate normalized to ν ei,th depends on the charge state, Z, on the magnitude of ν ei,th and the wave number k in contrast with the commonly used damping rate in plasma wave research. Only for weak collision rates in low-Z plasmas for which the electron self-collision rate is comparable to the electron-ion collision rate is the damping rate given by the commonly accepted value. The resultmore » presented here corrects the result presented in textbooks at least as early as 1973. Lastly, the complete linear theory requires the inclusion of both electron-ion pitch-angle and electron-electron scattering, which itself contains contributions to both pitch-angle scattering and thermalization.« less

Atmospheric pressure gas chromatography-time-of-flight-mass spectrometry (APGC-ToF-MS) for the determination of regulated and emerging contaminants in aqueous samples after stir bar sorptive extraction (SBSE).

PubMed

Pintado-Herrera, Marina G; González-Mazo, Eduardo; Lara-Martín, Pablo A

2014-12-03

This work presents the development, optimization and validation of a multi-residue method for the simultaneous determination of 102 contaminants, including fragrances, UV filters, repellents, endocrine disruptors, biocides, polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs), and several types of pesticides in aqueous matrices. Water samples were processed using stir bar sorptive extraction (SBSE) after the optimization of several parameters: agitation time, ionic strength, presence of organic modifiers, pH, and volume of the derivatizing agent. Target compounds were extracted from the bars by liquid desorption (LD). Separation, identification and quantification of analytes were carried out by gas chromatography (GC) coupled to time-of-flight (ToF-MS) mass spectrometry. A new ionization source, atmospheric pressure gas chromatography (APGC), was tested. The optimized protocol showed acceptable recovery percentages (50-100%) and limits of detection below 1ngL(-1) for most of the compounds. Occurrence of 21 out of 102 analytes was confirmed in several environmental aquatic matrices, including seawater, sewage effluent, river water and groundwater. Non-target compounds such as organophosphorus flame retardants were also identified in real samples by accurate mass measurement of their molecular ions using GC-APGC-ToF-MS. To the best of our knowledge, this is the first time that this technique has been applied for the analysis of contaminants in aquatic systems. By employing lower energy than the more widely used electron impact ionization (EI), AGPC provides significant advantages over EI for those substances very susceptible to high fragmentation (e.g., fragrances, pyrethroids). Copyright © 2014 Elsevier B.V. All rights reserved.

X-ray spectroscopy of warm and hot electron components in the CAPRICE source plasma at EIS testbench at GSI.

PubMed

Mascali, D; Celona, L; Maimone, F; Maeder, J; Castro, G; Romano, F P; Musumarra, A; Altana, C; Caliri, C; Torrisi, G; Neri, L; Gammino, S; Tinschert, K; Spaedtke, K P; Rossbach, J; Lang, R; Ciavola, G

2014-02-01

An experimental campaign aiming to detect X radiation emitted by the plasma of the CAPRICE source - operating at GSI, Darmstadt - has been carried out. Two different detectors (a SDD - Silicon Drift Detector and a HpGe - hyper-pure Germanium detector) have been used to characterize the warm (2-30 keV) and hot (30-500 keV) electrons in the plasma, collecting the emission intensity and the energy spectra for different pumping wave frequencies and then correlating them with the CSD of the extracted beam measured by means of a bending magnet. A plasma emissivity model has been used to extract the plasma density along the cone of sight of the SDD and HpGe detectors, which have been placed beyond specific collimators developed on purpose. Results show that the tuning of the pumping frequency considerably modifies the plasma density especially in the warm electron population domain, which is the component responsible for ionization processes: a strong variation of the plasma density near axis region has been detected. Potential correlations with the charge state distribution in the plasma are explored.

In Situ Detection of Chlorine Dioxide (C1O2) in the Radiolysis of Perchlorates and Implications for the Stability of Organics on Mars

NASA Astrophysics Data System (ADS)

Góbi, Sándor; Bergantini, Alexandre; Kaiser, Ralf I.

2016-12-01

Magnesium perchlorate hexahydrate (Mg(ClO4)2 · 6H2O) samples were exposed to energetic electrons to investigate the products of the decomposition of perchlorates in the Martian soil and to infer their role in the degradation of organics on Mars. The samples were monitored online and in situ via infrared spectroscopy as well as electron impact (EI-QMS) and reflectron time-of-flight mass spectrometry coupled with single photon ionization (PI-ReTOF-MS). Our study reveals that besides chlorates ({{{ClO}}3}-) and molecular oxygen (O2), the chlorine dioxide radical (ClO2) was observed online and in situ for the first time as a radiolysis product of solid perchlorates. Chlorine dioxide, which is used on Earth as a strong oxidizing agent in water disinfection and bleaching, represents a proficient oxidizer—potentially more powerful than molecular oxygen—to explain the lack of abundant organics in the Martian soil.

Interplay Between Electron-Electron, Electron-Impurity and Electron-Boundary Scattering in a Two Dimensional Electron Gas (2DEG)

NASA Astrophysics Data System (ADS)

Abraham, Mathew C.; Ram, Rajeev J.; Gossard, A. C.

2003-03-01

A small group of experiments have been conducted over the past decade that explore the fact that even though electron-electron (e-e) scattering in a 2DEG is momentum conserving, its interplay with electron-impurity (e-i)and electron-boundary (e-b) scattering can change the resistance of bulk and mesoscopic devices respectively. The interplay between e-e and e-i scattering in a bulk sample has been shown to cause a fall in the resistivity as a function of electron temperature in the regime where the scattering length l_ee > l_ei and a rise when l_ee < l_ei. In contrast, the interplay between e-e and e-b scattering has been demonstrated to raise the resistivity of a mesoscopic sized wire as a function of electron temperature in the regime l_ee > lb and a fall when l_ee < l_b. We attempt to present a comprehensive picture of these two apparently competing effects by studying devices that are affected by both phenomena simultaneously.

Rapid LC-MS method for the detection of common fragrances in personal care products without sample preparation.

PubMed

Famiglini, Giorgio; Termopoli, Veronica; Palma, Pierangela; Capriotti, Fabiana; Cappiello, Achille

2014-05-01

An LC-MS method for the analysis of personal care and household products without sample preparation is presented. The method takes advantage of the Direct-electron ionization (EI) LC-MS interface for the quantitation of principal components, as well as for the identification of unknown or undeclared ingredients. The technique has proven its inertness toward matrix effects and the electron ionization allows quantitation and library identification. Commercially available products (shower gel, perfume, and hand cream) were diluted with methanol and injected directly into a nano-LC column. Limonene, linalool, and citral were selected as target compounds because of their use as fragrances in toiletry and detergent products. These and all other fragrances are commonly determined with GC-MS analysis, prior to sample cleanup, a procedure that can lead to analytes loss. The selected compounds are not detected with ESI because of their poor or very low response. Figures of merit and validation studies were executed and special attention was devoted to matrix-effects evaluation, because a sample preparation procedure is not involved. No matrix effects were observed, and the repeatability was excellent even after several weeks of operation. Products composition was investigated in full scan mode to determine the presence of unknown or not listed ingredients. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

77 FR 44234 - Environmental Impacts Statements; Notice of Availability

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-27

... Castillo 509-843-1891. EIS No. 20120242, Final EIS, BLM, WY, Lost Creek In Situ Recovery Project, To... agencies to participate in its e-NEPA electronic EIS submission pilot. Participating agencies can fulfill... filing documents online and providing feedback on the process. To participate in the pilot, register at...

77 FR 25165 - Environmental Impacts Statements; Notice of Availability

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-27

.... EIS No. 20120117, Draft EIS, BLM, WY, Lost Creek In Situ Recovery Project, To Analyze the Site... agencies to participate in its e-NEPA electronic EIS submission pilot. Participating agencies can fulfill... filing documents online and providing feedback on the process. To participate in the pilot, register at...

Use of microextraction by packed sorbent directly coupled to an electron ionization single quadrupole mass spectrometer as an alternative for non-separative determinations.

PubMed

Casas Ferreira, Ana María; Moreno Cordero, Bernardo; Pérez Pavón, José Luis

2017-02-01

Sometimes it is not necessary to separate the individual compounds of a sample to resolve an analytical problem, it is enough to obtain a signal profile of the sample formed by all the components integrating it. Within this strategy, electronic noses based on the direct coupling of a headspace sampler with a mass spectrometer (HS-MS) have been proposed. Nevertheless, this coupling is not suitable for the analysis of non-volatile compounds. In order to propose an alternative to HS-MS determinations for non-volatile compounds, here we present the first 'proof of concept' use of the direct coupling of microextraction by packed sorbents (MEPS) to a mass spectrometer device using an electron ionization (EI) and a single quadrupole as ionization source and analyzer, respectively. As target compounds, a set of analytes with different physic-chemical properties were evaluated (2-ethyl-1-hexanol, styrene, 2-heptanone, among others). The use of MEPS extraction present many advantages, such as it is fast, simple, easy to automate and requires small volumes of sample and organic solvents. Moreover, MEPS cartridges are re-usable as samples can be extracted more than 100 times using the same syringe. In order to introduce into the system all the elution volume from the MEPS extraction, a programmable temperature vaporizer (PTV) is proposed as the injector device. Results obtained with the proposed methodology (MEPS-PTV/MS) were compared with the ones obtained based on the separative scheme, i.e. using gas chromatography separation (MEPS-PTV-GC/MS), and both methods provided similar results. Limits of detection were found to be between 3.26 and 146.6μgL -1 in the non-separative scheme and between 0.02 and 1.72μgL -1 when the separative methodology was used. Repeatability and reproducibility were evaluated with values below 17% in all cases. Copyright © 2016 Elsevier B.V. All rights reserved.

Photolysis of oxyfluorfen in aqueous methanol.

PubMed

Chakraborty, Subhasish K; Chakraborty, Savitri; Bhattacharyya, Anjan; Chowdhury, Ashim

2013-01-01

Photolysis of oxyfluorfen, an herbicide of the nitrodiphenyl ether class, was studied in aqueous methanol under UV and sunlight. UV irradiation was carried out in a borosilicate glass photoreactor (containing 250 ppm oxyfluorfen in 50% aqueous methanol) equipped with a quartz filter and 125 watt mercury lamp (maximum output 254 nm) at 25 ± 1°C. Sunlight irradiation was conducted at 28 ± 1°C in borosilicate Erlenmeyer flasks containing 250 ppm oxyfluorfen in 50% aqueous methanol. The samples from both the irradiated conditions were withdrawn at a definite time interval and extracted to measure oxyfluorfen content by gas chromatography-flame ionization detector for rate study. The half-life values were 20 hours and 2.7 days under UV and sunlight exposure, respectively. Photolysis of oxyfluorfen yielded 13 photoproducts of which three were characterized by infrared spectrophotometer and (1)H NMR and (13)C NMR spectroscopy. The rest of the photoproducts were identified by gas chromatography-mass spectrometry (GC-MS) and thin layer chromatography (TLC). An ionization potential 70 eV was used for electron impact-mass spectrometry (EI-MS) and methane was used as reagent gas for chemical ionization-mass spectrometry (CI-MS). Two of the photoproducts were also synthesized for comparison. The main phototransformation pathways of oxyfluorfen involved nitro reduction, dechlorination, and hydrolysis as well as nucleophiles displacement reaction.

Genetic background modulates lncRNA-coordinated tissue response to low dose ionizing radiation

DOE PAGES

Tang, Jonathan; Huang, Yurong; Nguyen, David H.; ...

2015-02-04

Long noncoding RNAs (lncRNAs) are emerging as key regulators of diverse cell functions and processes. However, the relevance of lncRNAs in the cell and tissue response to ionizing radiation has not yet been characterized. Here we used microarray profiling to determine lncRNA and mRNA expression in mammary glands of BALB/c and SPRET/EiJ mice after low-dose ionizing radiation (LDIR) exposure. We found that unirradiated mammary tissues of these strains differed significantly in baseline expressions of 290 lncRNAs. LDIR exposure (10 cGy) induced a significant change in the expression of many lncRNAs. The vast majority of lncRNAs identified to be differentially expressed aftermore » LDIR in either BALB/c or SPRET/EiJ had a significantly correlated expression pattern with at least one LDIR responsive mRNA. Functional analysis revealed that the response to LDIR in BALB/c mice is highly dynamic with enrichment for genes involved in tissue injury, inflammatory responses, and mammary gland development at 2, 4, and 8 weeks after LDIR, respectively. Our study demonstrates that genetic background strongly influences the expression of lncRNAs and their response to radiation and that lncRNAs may coordinate the tissue response to LDIR exposure via regulation of coding mRNAs.« less

Genetic background modulates lncRNA-coordinated tissue response to low dose ionizing radiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tang, Jonathan; Huang, Yurong; Nguyen, David H.

Long noncoding RNAs (lncRNAs) are emerging as key regulators of diverse cell functions and processes. However, the relevance of lncRNAs in the cell and tissue response to ionizing radiation has not yet been characterized. Here we used microarray profiling to determine lncRNA and mRNA expression in mammary glands of BALB/c and SPRET/EiJ mice after low-dose ionizing radiation (LDIR) exposure. We found that unirradiated mammary tissues of these strains differed significantly in baseline expressions of 290 lncRNAs. LDIR exposure (10 cGy) induced a significant change in the expression of many lncRNAs. The vast majority of lncRNAs identified to be differentially expressed aftermore » LDIR in either BALB/c or SPRET/EiJ had a significantly correlated expression pattern with at least one LDIR responsive mRNA. Functional analysis revealed that the response to LDIR in BALB/c mice is highly dynamic with enrichment for genes involved in tissue injury, inflammatory responses, and mammary gland development at 2, 4, and 8 weeks after LDIR, respectively. Our study demonstrates that genetic background strongly influences the expression of lncRNAs and their response to radiation and that lncRNAs may coordinate the tissue response to LDIR exposure via regulation of coding mRNAs.« less

Modeling and Observation of Interstellar He+ Pickup Ions in the Inner Heliosphere

NASA Astrophysics Data System (ADS)

Chen, Junhong

Interstellar pickup ions constitute a charged particle population that originates from interstellar neutrals inside the heliosphere. They are produced by photoionization, charge exchange with solar wind ions, and electron impact ionization (EI). Once ionized, they are picked up by the interplanetary magnetic field (IMF) and rapidly swept outward with the solar wind. Typically, pickup ion distributions have been described in terms of a velocity distribution function that evolves through fast pitch angle scattering followed by adiabatic cooling during radial transport in the reference frame of the solar wind [e.g., Vasyliunas & Siscoe, 1976, VS76 hereafter]. In the VS76 model, the slope of the isotropic velocity distributions is controlled by the combination of the ionization rate and the cooling process. Thus far, for the cooling index that relates the slope of the velocity distribution to the radial transport and expansion of the pickup ions a constant value of 3/2 has been widely used. The implicit assumptions to arrive at this value are immediate PUI isotropization due to pitch angle scattering and solar wind expansion with the square of the distance from the Sun. Any experimental determination of the cooling index depends on the knowledge of the ionization rate and its spatial variation, as well as solar wind and interplanetary conditions. In this thesis, we study their influences on the PUI cooling index and separate them by making use of the two complementary helium PUI data sets from SWICS instrument on the ACE spacecraft, and PLASTIC instrument on STEREO spacecraft. We use the pickup ion observations from ACE SIWCS in the last solar cycle to determine the cooling index, and the possible effects of the electron impact ionization on the determination of the cooling index. With pickup ion observations from STEREO PLASTIC, we determine how solar wind expansion patterns affect the cooling index. We find that the cooling index varies substantially with solar activity and suspect that these variations may be due to the influence of electron impact ionization, solar wind structures, and slow pitch angle scattering. Electron impact ionization, which does not scale as 1/r 2, is shown to have negligible influence on the cooling index and its variations. However, the effects of solar wind compression and rarefaction regions are found to be important. Comparisons of the pickup ion cooling behavior in the compression and rarefaction regions show that the radial solar wind expansion behaviors that differer from the usual 1/r 2 scaling may play the leading roles in the observed variations. A kinetic model of PUI is used to quantitatively describe their behavior in co-rotating interaction regions (CIR). The simulated distributions mimic closely the observed variations in the cooling behavior of PUIs in these regions. In addition, suprathermal tails appear to emerge from the PUI distributions inside compression regions, which provide further evidence that some particles of this population are accelerated locally in CIR compression regions even in the absence of shocks.

32 CFR 989.14 - Environmental assessment.

Code of Federal Regulations, 2010 CFR

2010-07-01

... format for the EA may be the same as the EIS. The alternatives section of an EA and an EIS are similar... Alternative (FONPA) must be submitted (five hard copies and an electronic version) to the MAJCOM EPF when the... submitted (five hard copies and an electronic version) through the MAJCOM EPF to HQ USAF/A7CI for SAF/IEE...

Gas chromatography-mass spectrometric studies of O-alkyl O-2-(N,N-dialkylamino) ethyl alkylphosphonites(phosphonates) for chemical weapons convention verification.

PubMed

Saeidian, Hamid; Babri, Mehran; Ramezani, Atefeh; Ashrafi, Davood; Sarabadani, Mansour; Naseri, Mohammad Taghi

2013-01-01

The electron ionization (EI) mass spectra of a series of O-alkyl O-2-(N,N-dialkylaminolethyl alkylphosphonites(phosphonates), which are precursors of nerve agents, were studied for Chemical Weapons Convention (CWC) verification. General El fragmentation pathways were constructed and discussed. Proposed fragment structures were confirmed through analyzing fragment ions of deuterated analogs and density functional theory (DFT) calculations. The observed fragment ions are due to different fragmentation pathways such as hydrogen and McLafferty+1 rearrangements, alkene, amine and alkoxy elimination by alpha- or beta-cleavage process. Fragment ions distinctly allow unequivocal identification of the interested compounds including those of isomeric compounds. The presence and abundance of fragment ions were found to depend on the size and structure of the alkyl group attached to nitrogen, phosphorus and oxygen atoms.

Microwave Assisted Synthesis, Physicochemical, Photophysical, Single Crystal X-ray and DFT Studies of Novel Push-Pull Chromophores.

PubMed

Khan, Salman A; Asiri, Abdullah M; Basisi, Hadi Mussa; Arshad, Muhammad Nadeem; Sharma, Kamlesh

2015-11-01

Two push-pull chromophores were synthesized by knoevenagel condensation under microwave irradiation. The structure of synthesized chromophores were established by spectroscopic (FT-IR, (1)H NMR, (13)C NMR, EI-MS) and elemental analysis. Structure of the chromophores was further conformed by X-ray crystallographic. UV-Vis and fluorescence spectroscopy measurements provided that chromophores were good absorbent and fluorescent properties. Fluorescence polarity studies demonstrated that chromophores were sensitive to the polarity of the microenvironment provided by different solvents. Physicochemical parameters, including singlet absorption, extinction coefficient, stokes shift, oscillator strength, dipole moment and flurescence quantum yield were investigated in order to explore the analytical potential of the synthesized chromophores. In addition, the total energy, frontier molecular orbitals, hardness, electron affinity, ionization energy, electrostatic potential map were also studied computationally by using density functional theoretical method.

78 FR 19733 - Draft General Management Plan and Draft Environmental Impact Statement, Fort Raleigh National...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-02

... Management Plan (EIS/GMP) for Fort Raleigh National Historic Site, North Carolina. The draft describes and... announce the dates, times, and locations of public meetings on the draft EIS/GMP through the NPS Planning... delivery to the above address. Electronic copies of the Draft EIS/GMP will be available online at http...

The identification and analytical characterization of 2,2'-difluorofentanyl.

PubMed

Liu, Cuimei; Li, Tao; Han, Yu; Hua, Zhendong; Jia, Wei; Qian, Zhenhua

2018-04-01

New psychoactive substances (NPS) have expanded their distribution and become widely available in the global market in recent years. The illicit use of fentanyl and its analogs has become an important worldwide concern linked to their high potency and risk of fatal overdose. This study describes the analytical characterization of a new fentanyl derivative N-(1-(2-fluorophenethyl)-4-piperidinyl)-N-(2-fluorophenyl)propionamide (2,2'-difluorofentanyl). Identification was based on ultra-high-performance liquid chromatography-quadrupole time-of-flight-mass spectrometry (UHPLC-QTOF-MS), gas chromatography-mass spectrometry (GC-MS), Fourier transform infrared (FTIR) spectroscopy, and nuclear magnetic resonance (NMR) spectroscopy. To our knowledge, this study is the first to report on analytical data for this compound. The most abundant fragment ion in the electrospray ionization (ESI) mass spectrum under collision-induced dissociation (CID) mode was formed by the cleavage between the piperidine ring and the N-phenyl-amide moiety of the protonated molecule. Two diagnostic ions in the electron ionization (EI) mass spectrum were formed by the loss of a tropylium ion (M-91), and by the degradation of the piperidine ring and dissociate of the COC 2 H 5 moiety altogether, respectively. Copyright © 2017 John Wiley & Sons, Ltd.

Single and multiple ionization of C60 fullerenes and collective effects in collisions with highly charged C, F, and Si ions with energy 3 MeV/u

NASA Astrophysics Data System (ADS)

Kelkar, A. H.; Kadhane, U.; Misra, D.; Gulyas, L.; Tribedi, L. C.

2010-10-01

We have measured absolute cross sections for single, double, triple, and quadruple ionization of C60 in collisions with 3 MeV/u C, F, and Si projectile ions at various projectile charge states. The experiment was performed using the recoil-ion time-of-flight technique. Projectile charge state dependence of the ionization yields was compared mainly with a model based on the giant dipole plasmon resonance (GDPR). In some cases, the continuum-distorted-wave-eikonal-initial-state (CDW-EIS) model which is normally applied for ion-atom collisions was also used as a reference. An excellent qualitative agreement between the experimental data for single and double ionization and the GDPR model predictions was found for all projectile charge states.

X-ray spectroscopy of warm and hot electron components in the CAPRICE source plasma at EIS testbench at GSI

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mascali, D., E-mail: davidmascali@lns.infn.it; Celona, L.; Castro, G.

2014-02-15

An experimental campaign aiming to detect X radiation emitted by the plasma of the CAPRICE source – operating at GSI, Darmstadt – has been carried out. Two different detectors (a SDD – Silicon Drift Detector and a HpGe – hyper-pure Germanium detector) have been used to characterize the warm (2–30 keV) and hot (30–500 keV) electrons in the plasma, collecting the emission intensity and the energy spectra for different pumping wave frequencies and then correlating them with the CSD of the extracted beam measured by means of a bending magnet. A plasma emissivity model has been used to extract themore » plasma density along the cone of sight of the SDD and HpGe detectors, which have been placed beyond specific collimators developed on purpose. Results show that the tuning of the pumping frequency considerably modifies the plasma density especially in the warm electron population domain, which is the component responsible for ionization processes: a strong variation of the plasma density near axis region has been detected. Potential correlations with the charge state distribution in the plasma are explored.« less

78 FR 4195 - Petition for Exemption From the Vehicle Theft Prevention Standard; Mercedes-Benz

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-18

..., transmitter key, electronic ignition starter switch control unit (EIS), the engine control module (ECM) and... immobilizer function. The interlinked system includes the engine, EIS, transmitter key, TCM and ECM (including...

Mass spectrometry in the characterization of reactive metal alkoxides.

PubMed

Peruzzo, Valentina; Chiurato, Matteo Andrea; Favaro, Monica; Tomasin, Patrizia

2018-01-01

Metal alkoxides are metal-organic compounds characterized by the presence of MOC bonds (M = metal). Their chemistry seems to be, in principle, relatively simple but the number of possible reactant species arising as a consequence of their behavior is very remarkable. The physico-chemical properties of metal alkoxides are determined by many different parameters, the most important ones being the electronegativity of the metal, the ramification of the ligand, and the acidity of the corresponding alcohol. Their reactivity makes them suitable and versatile candidates for many applications, including homogeneous catalysis, synthesis of new ceramic materials through the sol-gel process and, recently, also for Cultural Heritage. Metal alkoxides are characterized by a strong tendency to give clusters and/or oligomers through oxo-bridges. Mass spectrometry has been successfully employed for the characterization of metal alkoxides in the gas-phase. Electron ionization (EI) allowed the assessment of the molecular weight and of the most relevant decomposition pathways giving information on the relative bond strength of differently substituted molecules. On the other hand, information on the reactivity in solution of these molecules have been obtained by electrospray ionization (ESI)-matrix assisted laser desorption ionization (MALDI) experiments performed on their reaction products. These data were relevant to investigate the sol-gel process. In this review, these aspects are described and the results obtained are critically evaluated. © 2016 Wiley Periodicals, Inc. Mass Spec Rev. © 2016 Wiley Periodicals, Inc.

Single and multiple ionization of C{sub 60} fullerenes and collective effects in collisions with highly charged C, F, and Si ions with energy 3 MeV/u

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kelkar, A. H.; Kadhane, U.; Misra, D.

2010-10-15

We have measured absolute cross sections for single, double, triple, and quadruple ionization of C{sub 60} in collisions with 3 MeV/u C, F, and Si projectile ions at various projectile charge states. The experiment was performed using the recoil-ion time-of-flight technique. Projectile charge state dependence of the ionization yields was compared mainly with a model based on the giant dipole plasmon resonance (GDPR). In some cases, the continuum-distorted-wave-eikonal-initial-state (CDW-EIS) model which is normally applied for ion-atom collisions was also used as a reference. An excellent qualitative agreement between the experimental data for single and double ionization and the GDPR modelmore » predictions was found for all projectile charge states.« less

Order, criticality, and excitations in the extended Falicov-Kimball model.

PubMed

Ejima, S; Kaneko, T; Ohta, Y; Fehske, H

2014-01-17

Using exact numerical techniques, we investigate the nature of excitonic (electron-hole) bound states and the development of exciton coherence in the one-dimensional half-filled extended Falicov-Kimball model. The ground-state phase diagram of the model exhibits, besides band-insulator and staggered orbital ordered phases, an excitonic insulator (EI) with power-law correlations. The criticality of the EI state shows up in the von Neumann entropy. The anomalous spectral function and condensation amplitude provide the binding energy and coherence length of the electron-hole pairs which, on their part, point towards a Coulomb interaction driven crossover from BCS-like electron-hole pairing fluctuations to tightly bound excitons. We show that while a mass imbalance between electrons and holes does not affect the location of the BCS-BEC crossover regime, it favors staggered orbital ordering to the disadvantage of the EI. Within the Bose-Einstein condensation (BEC) regime, the quasiparticle dispersion develops a flat valence-band top, in accord with the experimental finding for Ta2NiSe5.

Quinones from Heliotropium ovalifolium.

PubMed

Guntern, A; Ioset, J R; Queiroz, E F; Foggin, C M; Hostettmann, K

2001-10-01

Two new benzoquinones, heliotropinones A and B, have been isolated from the aerial parts of Heliotropium ovalifolium. Their structures were elucidated by spectrometric methods including high resolution electrospray ionization (ESI-HR), EI mass spectrometry, 1H, 13C and 2D NMR experiments. The two quinones demonstrated antifungal activities against Cladosporium cucumerinum and Candida albicans as well as antibacterial activity against Bacillus subtilis.

Identilication of the novel cycloaliphatic brominated flame retardant 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane in Canadian Arctic beluga (Delphinapterus leucas).

PubMed

Tomy, Gregg T; Pleskach, Kerri; Arsenault, Gilles; Potter, Dave; McCrindle, Robert; Marvin, Chris H; Sverko, Ed; Tittlemier, Sheryl

2008-01-15

1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane (TBECH) is used primarily as an additive flame retardant. Technical grade TBECH consists of near equimolar amounts of two (of a possible four) diastereoisomers: rac-(1R,2R)-1,2-dibromo-(4S)-4-((1S)-1,2-dibromoethyl)cyclohexane ((alpha-TBECH) and rac-(1R,2R)-1,2-dibromo-(4S)-4-((1R)-1,2-dibromoethyl)cyclohexane (beta-TBECH). The two other possible isomers, gamma- and delta-TBECH, appear in the technical mixture when heated at temperatures above 120 degrees C. Careful selection of GC-capillary column length was critical in resolution of the two main diastereoisomers. Column lengths of 60 or 30 m (0.25 microm film thickness) resulted in incomplete separation of the alpha- and beta-isomers, while on a 10 m column, the isomers were baseline separated. The gamma- and delta-isomers could not be resolved on any column length in this study. Increased injector port temperature induced thermal conversion of the alpha- and beta-isomers to gamma- and delta-TBECH. Electron impact ionization (EI) was used to provide specificity because no characteristic ions in the electron capture negative ionization (ECNI) mass spectrum of TBECH were evident. In EI, the dominant ions in the mass spectrum corresponded to a concomitant loss of HBr and Br from the molecular ion; the biggest peak in this ion cluster (m/z 266.9208) was used for quantitation and the second biggest peak (m/z 264.9227) was used for confirmation. Beluga (Delphinapterus leucas) blubber extracts of animals from the Canadian Arctic (n=29) were analyzed using low resolution (LR) MS and high resolution (HR) MS run at a resolving power of 10,000. beta-TBECH was the only isomer observed in the samples and was detected in 17 samples. The LRMS technique appeared to overestimate beta-TBECH concentrations compared to HRMS, suggesting a small interference arose at the nominal mass monitored. This potential interference also led to some false positive and negative values (n=7) based on the expected ion ratio of the quantitation and confirmation ions. Observed concentrations of the beta-isomer as measured by HRMS ranged from 1.1 to 9.3 ng/g (lipid weight).

The effect of temperature on the stability of compounds used as UV-MALDI-MS matrix: 2,5-dihydroxybenzoic acid, 2,4,6-trihydroxyacetophenone, alpha-cyano-4-hydroxycinnamic acid, 3,5-dimethoxy-4-hydroxycinnamic acid, nor-harmane and harmane.

PubMed

Tarzi, Olga I; Nonami, Hiroshi; Erra-Balsells, Rosa

2009-02-01

The thermal stability of several commonly used crystalline matrix-assisted ultraviolet laser desorption/ionization mass spectrometry (UV-MALDI-MS) matrices, 2,5-dihydroxybenzoic acid (gentisic acid; GA), 2,4,6-trihydroxyacetophenone (THA), alpha-cyano-4-hydroxycinnamic acid (CHC), 3,5-dimethoxy-4-hydroxycinnamic acid (sinapinic acid; SA), 9H-pirido[3,4-b]indole (nor-harmane; nor-Ho), 1-methyl-9H-pirido[3,4-b]indole (harmane; Ho), perchlorate of nor-harmanonium ([nor-Ho+H]+) and perchlorate of harmanonium ([Ho+H]+) was studied by heating them at their melting point and characterizing the remaining material by using different MS techniques [electron ionization mass spectrometry (EI-MS), ultraviolet laserdesorption/ionization-time-of-flight-mass spectrometry (UV-LDI-TOF-MS) and electrospray ionization-time-of-flight-mass spectrometry (ESI-TOF-MS)] as well as by thin layer chromatography analysis (TLC), electronic spectroscopy (UV-absorption, fluorescence emission and excitation spectroscopy) and 1H nuclear magnetic resonance spectroscopy (1H-NMR). In general, all compounds, except for CHC and SA, remained unchanged after fusion. CHC showed loss of CO2, yielding the trans-/cis-4-hydroxyphenylacrilonitrile mixture. This mixture was unambiguously characterized by MS and 1H-NMR spectroscopy, and its sublimation capability was demonstrated. These results explain the well-known cluster formation, fading (vanishing) and further recovering of CHC when used as a matrix in UV-MALDI-MS. Commercial SA (SA 98%; trans-SA/cis-SA 5:1) showed mainly cis- to-trans thermal isomerization and, with very poor yield, loss of CO2, yielding (3',5'-dimethoxy-4'-hydroxyphenyl)-1-ethene as the decarboxilated product. These thermal conversions would not drastically affect its behavior as a UV-MALDI matrix as happens in the case of CHC. Complementary studies of the photochemical stability of these matrices in solid state were also conducted. Copyright (c) 2008 John Wiley & Sons, Ltd.

The plasma filling factor of coronal bright points. II. Combined EIS and TRACE results

NASA Astrophysics Data System (ADS)

Dere, K. P.

2009-04-01

Aims: In a previous paper, the volumetric plasma filling factor of coronal bright points was determined from spectra obtained with the Extreme ultraviolet Imaging Spectrometer (EIS). The analysis of these data showed that the median plasma filling factor was 0.015. One interpretation of this result was that the small filling factor was consistent with a single coronal loop with a width of 1-2´´, somewhat below the apparent width. In this paper, higher spatial resolution observations with the Transition Region and Corona Explorer (TRACE) are used to test this interpretation. Methods: Rastered spectra of regions of the quiet Sun were recorded by the EIS during operations with the Hinode satellite. Many of these regions were simultaneously observed with TRACE. Calibrated intensities of Fe xii lines were obtained and images of the quiet corona were constructed from the EIS measurements. Emission measures were determined from the EIS spectra and geometrical widths of coronal bright points were obtained from the TRACE images. Electron densities were determined from density-sensitive line ratios measured with EIS. A comparison of the emission measure and bright point widths with the electron densities yielded the plasma filling factor. Results: The median electron density of coronal bright points is 3 × 109 cm-3 at a temperature of 1.6 × 106 K. The volumetric plasma filling factor of coronal bright points was found to vary from 3 × 10-3 to 0.3 with a median value of 0.04. Conclusions: The current set of EIS and TRACE coronal bright-point observations indicate the median value of their plasma filling factor is 0.04. This can be interpreted as evidence of a considerable subresolution structure in coronal bright points or as the result of a single completely filled plasma loop with widths on the order of 0.2-1.5´´ that has not been spatially resolved in these measurements.

EUV SPECTRAL LINE FORMATION AND THE TEMPERATURE STRUCTURE OF ACTIVE REGION FAN LOOPS: OBSERVATIONS WITH HINODE/EIS AND SDO/AIA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brooks, David H.; Young, Peter R.; Warren, Harry P., E-mail: dhbrooks@ssd5.nrl.navy.mil

2011-04-01

With the aim of studying active region fan loops using observations from the Hinode EUV Imaging Spectrometer (EIS) and Solar Dynamics Observatory Atmospheric Imaging Assembly (AIA), we investigate a number of inconsistencies in modeling the absolute intensities of Fe VIII and Si VII lines, and address why spectroheliograms formed from these lines look very similar despite the fact that ionization equilibrium calculations suggest that they have significantly different formation temperatures: log(T{sub e} /K) = 5.6 and 5.8, respectively. It is important to resolve these issues because confidence has been undermined in their use for differential emission measure (DEM) analysis, andmore » Fe VIII is the main contributor to the AIA 131 A channel at low temperatures. Furthermore, the strong Fe VIII 185.213 A and Si VII 275.368 A lines are the best EIS lines to use for velocity studies in the transition region, and for assigning the correct temperature to velocity measurements in the fans. We find that the Fe VIII 185.213 A line is particularly sensitive to the slope of the DEM, leading to disproportionate changes in its effective formation temperature. If the DEM has a steep gradient in the log(T{sub e} /K) = 5.6-5.8 temperature range, or is strongly peaked, Fe VIII 185.213 A and Si VII 275.368 A will be formed at the same temperature. We show that this effect explains the similarity of these images in the fans. Furthermore, we show that the most recent ionization balance compilations resolve the discrepancies in absolute intensities. With these difficulties overcome, we combine EIS and AIA data to determine the temperature structure of a number of fan loops and find that they have peak temperatures of 0.8-1.2 MK. The EIS data indicate that the temperature distribution has a finite (but narrow) width < log ({sigma}{sub Te}/K) = 5.5 which, in one detailed case, is found to broaden substantially toward the loop base. AIA and EIS yield similar results on the temperature, emission measure magnitude, and thermal distribution in the fans, though sometimes the AIA data suggest a relatively larger thermal width. The result is that both the Fe VIII 185.213 A and Si VII 275.368 A lines are formed at log(T{sub e} /K){approx} 5.9 in the fans, and the AIA 131 A response also shifts to this temperature.« less

Piriformospora indica Stimulates Root Metabolism of Arabidopsis thaliana.

PubMed

Strehmel, Nadine; Mönchgesang, Susann; Herklotz, Siska; Krüger, Sylvia; Ziegler, Jörg; Scheel, Dierk

2016-07-08

Piriformospora indica is a root-colonizing fungus, which interacts with a variety of plants including Arabidopsis thaliana. This interaction has been considered as mutualistic leading to growth promotion of the host. So far, only indolic glucosinolates and phytohormones have been identified as key players. In a comprehensive non-targeted metabolite profiling study, we analyzed Arabidopsis thaliana's roots, root exudates, and leaves of inoculated and non-inoculated plants by ultra performance liquid chromatography/electrospray ionization quadrupole-time-of-flight mass spectrometry (UPLC/(ESI)-QTOFMS) and gas chromatography/electron ionization quadrupole mass spectrometry (GC/EI-QMS), and identified further biomarkers. Among them, the concentration of nucleosides, dipeptides, oligolignols, and glucosinolate degradation products was affected in the exudates. In the root profiles, nearly all metabolite levels increased upon co-cultivation, like carbohydrates, organic acids, amino acids, glucosinolates, oligolignols, and flavonoids. In the leaf profiles, we detected by far less significant changes. We only observed an increased concentration of organic acids, carbohydrates, ascorbate, glucosinolates and hydroxycinnamic acids, and a decreased concentration of nitrogen-rich amino acids in inoculated plants. These findings contribute to the understanding of symbiotic interactions between plant roots and fungi of the order of Sebacinales and are a valid source for follow-up mechanistic studies, because these symbioses are particular and clearly different from interactions of roots with mycorrhizal fungi or dark septate endophytes.

[Determination of methyl nonyl ketone in volatile oil from herbs of Houttuynia cordata by GC-MS].

PubMed

Yang, Lixin; Zhang, Yongxin; Yi, Hong; Yang, Hua; Zhang, Qiwei

2010-08-01

To develop a GC-MS method for the determination of methyl nonyl ketone in the volatile oil from the herbs of Houttuynia cordata. The sample was split in the 240 degrees C injection port, with 20:1 split ratio, and separated on a DB-5 (30 m x 0.25 mm, 0.25 microm film thickness) fused silica column with helium as the carrier gas. The temperature program was as follows: 100 degrees C for 2 min, the 5 degrees C x min(-1) to 150 degrees C, then 15 degrees C x min(-1) to 200 degrees C, and kept for 10 min. The MS transfer line temperature was set to 250 degrees C, the MS source temperature was set to 200 degrees C. The ionization mode was electron ionization (EI) and the selective ion monitor mode was used. A good linear relationship was constructed over the injection amount range of 5.5-110 ng of methyl nonyl ketone. The average recovery was 98.9%, and RSD was 2. 2%. The developed method was sensitive, accurate, and can be used for the determination of methyl nonyl ketone in the volatile oil and for the quality control of H. cordata.

The Impact of Nonequilibrium Ionization on SDO/AIA and Hinode/EIS Observations of Impulsively Heated Plasmas

NASA Technical Reports Server (NTRS)

Klimchuk, James A.; Bradshaw, Stephen J.

2011-01-01

Most plasma diagnostics assume the emitting material is in a state of ionization equilibrium. For example, the AIA temperature response functions have been derived on this basis. The assumption is reasonable whenever the plasma is evolving slowly or is very dense, but these are not the conditions that apply during impulsive heating events. It is now widely believed that many coronal loops are bundles of unresolved strands that are heated quasi-randomly by nanoflares. Full blown flares are thought to have similar sub-structure. We have studied the importance of nonequilibrium effects in these circumstances by modeling nanoflare-heated loops and simulating their observation by AIA and the EIS spectrometer on Hinode. We find that the intensities of hot emission lines can be highly suppressed and that the net emission from the loop tends to be dominated by strands that have entered a slow cooling phase, well after the impulsive energy release has ended. The hottest strands are relatively invisible, both because they are tenuous and because they cool rapidly by thermal conduction. Thus, AIA channels that are normally thought of as being sensitive to hot plasma, such 131 and 94, are in fact frequently not able to detect the hot plasma that is present. The magnitude of the effect is case dependent. Great care must be exercised when using the standard temperature response functions in situations where nonequilibrium ionization is likely to be important.

Occurrence and human exposure to brominated and organophosphorus flame retardants via indoor dust in a Brazilian city.

PubMed

Cristale, Joyce; Aragão Belé, Tiago Gomes; Lacorte, Silvia; Rodrigues de Marchi, Mary Rosa

2018-06-01

Indoor dust is considered an important human exposure route to flame retardants (FRs), which has arised concern due the toxic properties of some of these substances. In this study, ten organophosphorus flame retardants (OPFRs), eight polybrominated diphenyl ethers (PBDEs) and four new brominated flame retardants (NBFRs) were determined in indoor dust from different places in Araraquara-SP (Brazil). The sampled places included houses, apartments, offices, primary schools and cars. The analysis of the sample extracts was performed by gas chromatography coupled to mass spectrometry and two ionization techniques were used (electron ionization - EI; electron capture negative ionization - ECNI). OPFRs were the most abundant compounds and tris(2-butoxyethyl) phosphate (TBOEP), tris(phenyl) phosphate (TPHP), tris(1,3-dichloroisopropyl) phosphate (TDCIPP) and tris(2-chloroisopropyl) phosphate (TCIPP) were present at the highest concentrations. Among the brominated FRs, the most ubiquitous compounds were BDE-209, bis(2-ethylhexyl) tetrabromophthalate (BEH-TEBP) and decabromodiphenyl ethane (DBDPE). Statistical analysis revealed that there were differences among dust typologies for TBOEP, TDCIPP, ethylhexyl diphenyl phosphate (EHDPHP), BDE-209, 2-ethylhexyl 2,3,4,5-tetrabromobenzoate (EH-TBB), BEH-TEBP and DBDPE, which were attributed to different construction materials in each particular environment and to the age of the buildings. The highest levels of brominated FRs were observed in offices, TBOEP was at high concentration in primary schools, and TDCIPP was at high concentration in cars. A preliminary risk assessment revealed that toddlers were exposed to TBOEP levels higher than the reference dose when considering the worst case scenario. The results obtained in this study showed for the first time that although Brazil does not regulate the use of FRs, these substances are present in indoor dust at levels similar to the observed in countries that have strict fire safety standards, and that humans are exposed to complex mixtures of these contaminants via indoor dust. Copyright © 2017 Elsevier Ltd. All rights reserved.

Update on Science Results from CubeSat: Colorado Student Space Weather Experiment (CSSWE)

NASA Astrophysics Data System (ADS)

Li, X.; Schiller, Q.; Blum, L. W.; Califf, S.; Zhao, H.; Jaynes, A. N.; Tu, W.; Turner, D. L.; Gerhardt, D.; Palo, S. E.; Selesnick, R.; Kanekal, S. G.; Baker, D. N.; Fennell, J. F.; Blake, J. B.; Looper, M. D.; Reeves, G. D.; Spence, H.

2013-12-01

Measurements from the Relativistic Electron and Proton Telescope integrated little experiment (REPTile) onboard CSSWE, which was launched into a highly inclined (65 deg) low Earth orbit on 13 September 2012, are analyzed along with measurements from the Relativistic Electron and Proton Telescope (REPT) and the Magnetic Electron Ion Spectrometer (MagEIS) instruments aboard the Van Allen Probes, which are in a low inclination (10 deg) geo-transfer-like orbit. Both REPT and MagEIS measure the full distribution of energetic electrons as they traverse the heart of the outer radiation belt. However, due to the small equatorial loss cone (only a few deg), it is difficult for REPT and MagEIS to directly determine which electrons will precipitate into the atmosphere, a major loss process. REPTile, a miniaturized version of REPT, measures the fraction of the total electron population that has small enough equatorial pitch angles to reach the altitude, 480km x 780 km, of CSSWE, thus measuring the precipitating population as well as the trapped and quasi-trapped populations. These newly available measurements provide an unprecedented opportunity to investigate the source, loss, and energization processes that are responsible for the dynamic behavior of outer radiation belt electrons. The focus of presentation will be on the characteristics of relativistic electrons measured by REPTile during the October 2012 storms, and results during other events will also be summarized.

Anomalous inverse bremsstrahlung heating of laser-driven plasmas

NASA Astrophysics Data System (ADS)

Kundu, Mrityunjay

2016-05-01

Absorption of laser light in plasma via electron-ion collision (inverse bremsstrahlung) is known to decrease with the laser intensity as I 0 -3/2 or with the electron temperature as T e -3/2 where Coulomb logarithm ln Λ = 0.5ln(1 + k 2 min/k 2 max) in the expression of electron-ion collision frequency v ei is assumed to be independent of ponderomotive velocity v 0 = E0/ω which is unjustified. Here k -1 min = v th/max(ω, ω p), and k -1 max = Z/v 2 th are maximum and minimum cut-off distances of the colliding electron from the ion, v th = √T e is its thermal velocity, ω, ω p are laser and plasma frequency. Earlier with a total velocity v = (v 2 0 + v 2 th)1/2 dependent ln Λ(v) it was reported that v ei and corresponding fractional laser absorption (α) initially increases with increasing intensity, reaches a maximum value, and then fall according to the conventional I 0 -3/2 scaling. This anomalous increase in v ei and α may be objected due to an artifact introduced in ln Λ(v) through k-1 min ∝ v. Here we show similar anomalous increase of v ei and α versus I 0 (in the low temperature and under-dense density regime) with quantum and classical kinetic models of v ei without using ln Λ, but a proper choice of the total velocity dependent inverse cut-off length kmax -1 ∝ v 2 (in classical case) or kmax ∝ v (in quantum case). For a given I 0 < 5 × 1014Wcm-2, v ei versus T e also exhibits so far unnoticed identical anomalous increase as v ei versus Io, even if the conventional k max ∝ v2 th, or k max ∝ v th is chosen. However, for higher T e > 15 eV, anomalous growth of vei and a disappear. The total velocity dependent k max in kinetic models, as proposed here, may explain anomalous increase of a with I 0 measured in some earlier laser-plasma experiments. This work may be important to understand collisional absorption in the under-dense pre-plasma region due to low intensity pre-pulses and amplified spontaneous emission (ASE) pedestal in the context of laser induced inertial confinement fusion.

Emotional intelligence in orthopedic surgery residents.

PubMed

Chan, Kevin; Petrisor, Brad; Bhandari, Mohit

2014-04-01

Emotional intelligence (EI) is the ability to understand and manage emotions in oneself and others. It was originally popularized in the business literature as a key attribute for success that was distinct from cognitive intelligence. Increasing focus is being placed on EI in medicine to improve clinical and academic performance. Despite the proposed benefits, to our knowledge, there have been no previous studies on the role of EI in orthopedic surgery. We evaluated baseline data on EI in a cohort of orthopedic surgery residents. We asked all orthopedic surgery residents at a single institution to complete an electronic version of the Mayer-Salovey-Caruso Emotional Intelligence Test (MSCEIT). We used completed questionnaires to calculate total EI scores and 4 branch scores. Data were analyzed according to a priori cutoff values to determine the proportion of residents who were considered competent on the test. Data were also analyzed for possible associations with age, sex, race and level of training. Thirty-nine residents (100%) completed the MSCEIT. The mean total EI score was 86 (maximum score 145). Only 4 (10%) respondents demonstrated competence in EI. Junior residents (p = 0.026), Caucasian residents (p = 0.009) and those younger than 30 years (p = 0.008) had significantly higher EI scores. Our findings suggest that orthopedic residents score low on EI based on the MSCEIT. Optimizing resident competency in noncognitive skills may be enhanced by dedicated EI education, training and testing.

Interface design for CMOS-integrated Electrochemical Impedance Spectroscopy (EIS) biosensors.

PubMed

Manickam, Arun; Johnson, Christopher Andrew; Kavusi, Sam; Hassibi, Arjang

2012-10-29

Electrochemical Impedance Spectroscopy (EIS) is a powerful electrochemical technique to detect biomolecules. EIS has the potential of carrying out label-free and real-time detection, and in addition, can be easily implemented using electronic integrated circuits (ICs) that are built through standard semiconductor fabrication processes. This paper focuses on the various design and optimization aspects of EIS ICs, particularly the bio-to-semiconductor interface design. We discuss, in detail, considerations such as the choice of the electrode surface in view of IC manufacturing, surface linkers, and development of optimal bio-molecular detection protocols. We also report experimental results, using both macro- and micro-electrodes to demonstrate the design trade-offs and ultimately validate our optimization procedures.

Metabolism of boldenone in man: gas chromatographic/mass spectrometric identification of urinary excreted metabolites and determination of excretion rates.

PubMed

Schänzer, W; Donike, M

1992-01-01

Urinary metabolites of boldenone (androsta-1,4-dien-17 beta-ol-3-one) following oral administration of boldenone (doses from 11 to 80 mg) to man were isolated from urine via XAD-2 adsorption and enzymatic hydrolysis with beta-glucuronidase from Escherichia coli. The isolated metabolites were derivatized with N-methyl-N-trimethylsilyltri- fluoroacetamide/trimethyliodosilane and analysed by gas chromatography/mass spectrometry with electron impact (EI) ionization at 70 eV. Boldenone (I) and four metabolites were identified after hydrolysis of the urine with beta-glucuronidase: 5 beta-androst-1-en-17 beta-ol-3-one (II), 5 beta-androst-1-ene-3 alpha, 17 beta-diol (III), 5 beta-androst-1-en-3 alpha-ol-17-one (IV) and 5 beta-androst-1-en-6 beta-ol-3,17-dione (V). Five further metabolites in low concentration were identified without enzymatic hydrolysis after treatment of the urine with potassium carbonate: 5 beta-androst-1-ene-3,17-dione (VI), 5 alpha-androst-1-ene-3,17-dione (VII), androsta-1,4-diene-3,17-dione (VIII), androsta-1,4-diene-6 beta,17 beta-diol-3-one (IX) and androsta-1,4-dien-6 beta-ol-3,17-dione (X). The identification of the metabolites is based on the gas chromatography retention index, high-performance liquid chromatography retention, EI mass spectrum, chemical reactions of the isolated metabolites, and synthesis of metabolites II, III, IV, VI and VII. The EI mass spectra of the bis-trimethylsilyl derivatives of boldenone and its metabolites display all intense molecular ions, M-15 ions and fragment ions originating from cleavage of the B-ring. The excreted metabolites can be separated in basic extractable labile conjugates and in stable conjugates. More than 95% of metabolites are excreted as stable conjugates.

High-pressure ion source combined with an in-axis ion trap mass spectrometer. 1. Instrumentation and applications

PubMed

Mathurin; Faye; Brunot; Tabet; Wells; Fuche

2000-10-15

A new combination of a dual EI/CI ion source with a quadrupole ion trap mass spectrometer has been realized in order to efficiently produce negative ions in the reaction cell. Analysis of volatile compounds was performed under negative ion chemical ionization (NICI) during a reaction period where selected reactant negative ions, previously produced in the external ion source, were allowed to interact with molecules, introduced by hyphenated techniques such as gas chromatography. The O2*-, CH3O-, and Cl- reactant ions were used in this study to ensure specific ion/molecule interactions such as proton transfer, nucleophilic displacement, or charge exchange processes, respectively leading to even-electron species, i.e., deprotonated [M - H]- molecules, diagnostic [M - R]- ions, or odd-electron M*- molecular species. The reaction orientation depends on the thermochemistry of reactions within kinetic controls. First analytical results are presented here for the trace-level detection of several contaminants under NICI/Cl- conditions. Phosphorus-containing compounds (malathion, ethyl parathion, and methyl parathion as representative for pesticides) and nitro-containing compounds (2,4,6-trinitrotoluene for explosive material) have been chosen in order to explore the analytical ability of this promising instrumental coupling.

QED contributions to electron g-2

NASA Astrophysics Data System (ADS)

Laporta, Stefano

2018-05-01

In this paper I briefly describe the results of the numerical evaluation of the mass-independent 4-loop contribution to the electron g-2 in QED with 1100 digits of precision. In particular I also show the semi-analytical fit to the numerical value, which contains harmonic polylogarithms of eiπ/3, e2iπ/3 and eiπ/2 one-dimensional integrals of products of complete elliptic integrals and six finite parts of master integrals, evaluated up to 4800 digits. I give also some information about the methods and the program used.

Altitude profiles of total chlorinated paraffins in humus and spruce needles from the Alps (MONARPOP).

PubMed

Iozza, Saverio; Schmid, Peter; Oehme, Michael; Bassan, Rodolfo; Belis, Claudio; Jakobi, Gert; Kirchner, Manfred; Schramm, Karl-Werner; Kräuchi, Norbert; Moche, Wolfgang; Offenthaler, Ivo; Weiss, Peter; Simoncic, Primoz; Knoth, Wilhelm

2009-12-01

Chlorinated paraffins (CPs) are toxic, bioaccumulative, persistent, and ubiquitously present in the environment. CPs were analyzed in humus and needle samples, which were taken within the Monitoring Network in the Alpine Region for Persistent and other Organic Pollutants (MONARPOP) at sampling sites of 7 different altitude profiles in the Alps. Gas chromatography combined with electron ionization tandem mass spectrometry (EI-MS/MS) was used for the determination of total CPs (sum of short, medium and long chain CPs). CPs were found in all samples; the concentrations varied between 7 and 199 ng g(-1) dry weight (dw) and within 26 and 460 ng g(-1) dw in humus and needle samples, respectively. A clear vertical tendency within the individual altitude profiles could not be ascertained. Within all altitude profiles, elevated concentrations were observed in humus samples taken between 700 and 900 m and between 1300 and 1500 m. In the needle samples no similar correlation could be observed due to higher variation of the data.

A study of anti-inflammatory and analgesic activity of new 2,4,6-trisubstituted pyrimidines.

PubMed

Yejella, Rajendra Prasad; Atla, Srinivasa Rao

2011-01-01

Chalcone derivatives (3a-m) were prepared by condensing 4-aminoacetophenone with various substituted aromatic and hetero aromatic aldehydes according to Claisen-Schmidt condensation. These chalcones, on reaction with guanidine hydrochloride under basic alcoholic conditions gave 2,4,6-trisubstituted pyrimidines (5a-m) in quantitative yields. All the newly synthesized pyrimidines were characterized by means of IR, ¹H- and ¹³C-NMR, Electron Ionization (EI)-mass and elemental analyses and screened for anti-inflammatory and analgesic activities by in vivo. 2-amino-4-(4-aminophenyl)-6-(2,4-dichlorophenyl)pyrimidine (5b) and 2-amino-4-(4-aminophenyl)-6-(3-bromophenyl) pyrimidine (5d) were found to be the most potent anti-inflammatory and analgesic activity compared with ibuprofen, reference standard. And also it was found that compound 5b identified as lead structure among all in both the activities. Pyrimidines which showed good anti-inflammatory activity also displayed better analgesic activity.

Gas and particulate phase products from the ozonolysis of acenaphthylene

NASA Astrophysics Data System (ADS)

Riva, Matthieu; Healy, Robert M.; Tomaz, Sophie; Flaud, Pierre-Marie; Perraudin, Emilie; Wenger, John C.; Villenave, Eric

2016-10-01

Polycyclic aromatic hydrocarbons (PAHs) are recognized as important secondary organic aerosol (SOA) precursors in the urban atmosphere. In this work, the gas-phase ozonolysis of acenaphthylene was investigated in an atmospheric simulation chamber using a proton transfer reaction time-of-flight-mass spectrometer (PTR-TOF-MS) and an aerosol time-of-flight-mass spectrometer (ATOFMS) for on-line characterization of the oxidation products in the gas and particle phases, respectively. SOA samples were also collected on filters and analyzed by ultra performance liquid chromatography/electrospray ionization high-resolution quadrupole time-of-flight mass spectrometry (UPLC/ESI-HR-QTOFMS) and gas chromatography/electron impact ionization-mass spectrometry (GC/EI-MS). The major gas-phase products included a range of oxygenated naphthalene derivatives such as 1,8-naphthalic anhydride, naphthalene 1,8-dicarbaldehyde and naphthaldehyde, as well as a secondary ozonide. Possible reaction mechanisms are proposed for the formation of these products and favoured pathways have been suggested. Many of these products were also found in the particle phase along with a range of oligomeric compounds. The same range of gas and particle phase products was observed in the presence and absence of excess cyclohexane, an OH scavenger, indicating that OH radical production from the ozonolysis of acenaphthylene is negligible. SOA yields in the range 23-37% were determined and indicate that acenaphthylene ozonolysis may contribute to part of the SOA observed in urban areas.

Chemical characterization of secondary organic aerosol constituents from isoprene ozonolysis in the presence of acidic aerosol

NASA Astrophysics Data System (ADS)

Riva, Matthieu; Budisulistiorini, Sri Hapsari; Zhang, Zhenfa; Gold, Avram; Surratt, Jason D.

2016-04-01

Isoprene is the most abundant non-methane hydrocarbon emitted into Earth's atmosphere and is predominantly derived from terrestrial vegetation. Prior studies have focused largely on the hydroxyl (OH) radical-initiated oxidation of isoprene and have demonstrated that highly oxidized compounds, such as isoprene-derived epoxides, enhance the formation of secondary organic aerosol (SOA) through heterogeneous (multiphase) reactions on acidified sulfate aerosol. However, studies on the impact of acidified sulfate aerosol on SOA formation from isoprene ozonolysis are lacking and the current work systematically examines this reaction. SOA was generated in an indoor smog chamber from isoprene ozonolysis under dark conditions in the presence of non-acidified or acidified sulfate seed aerosol. The effect of OH radicals on SOA chemical composition was investigated using diethyl ether as an OH radical scavenger. Aerosols were collected and chemically characterized by ultra performance liquid chromatography/electrospray ionization high-resolution quadrupole time-of-flight mass spectrometry (UPLC/ESI-HR-QTOFMS) and gas chromatography/electron impact ionization-mass spectrometry (GC/EI-MS). Analysis revealed the formation of highly oxidized compounds, including organosulfates (OSs) and 2-methylterols, which were significantly enhanced in the presence of acidified sulfate seed aerosol. OSs identified in the chamber experiments were also observed and quantified in summertime fine aerosol collected from two rural locations in the southeastern United States during the 2013 Southern Oxidant and Aerosol Study (SOAS).

Understanding paper degradation: identification of products of cellulosic paper decomposition at the wet-dry "tideline" interface using GC-MS.

PubMed

Sladkevich, Sergey; Dupont, Anne-Laurence; Sablier, Michel; Seghouane, Dalila; Cole, Richard B

2016-11-01

Cellulose paper degradation products forming in the "tideline" area at the wet-dry interface of pure cellulose paper were analyzed using gas chromatography-electron ionization-mass spectrometry (GC-EI-MS) and high-resolution electrospray ionization-mass spectrometry (ESI-MS, LTQ Orbitrap) techniques. Different extraction protocols were employed in order to solubilize the products of oxidative cellulose decomposition, i.e., a direct solvent extraction or a more laborious chromophore release and identification (CRI) technique aiming to reveal products responsible for paper discoloration in the tideline area. Several groups of low molecular weight compounds were identified, suggesting a complex pathway of cellulose decomposition in the tidelines formed at the cellulose-water-oxygen interface. Our findings, namely the appearance of a wide range of linear saturated carboxylic acids (from formic to nonanoic), support the oxidative autocatalytic mechanism of decomposition. In addition, the identification of several furanic compounds (which can be, in part, responsible for paper discoloration) plus anhydro carbohydrate derivatives sheds more light on the pathways of cellulose decomposition. Most notably, the mechanisms of tideline formation in the presence of molecular oxygen appear surprisingly similar to pathways of pyrolytic cellulose degradation. More complex chromophore compounds were not detected in this study, thereby revealing a difference between this short-term tideline experiment and longer-term cellulose aging.

Transport in a field-aligned magnetized plasma and neutral gas boundary: the end of the plasma

NASA Astrophysics Data System (ADS)

Cooper, Christopher; Gekelman, Walter

2012-10-01

A series of experiments at the Enormous Toroidal Plasma Device (ETPD) at UCLA study the Neutral Boundary Layer (NBL) between a magnetized plasma and a neutral gas in the direction of the confining field. A lanthanum hexaboride (LaB6) cathode and semi-transparent anode create a current-free, weakly ionized (ne/nn<5%), helium plasma (B˜250 G, Rplasma=10cm, ne<10^12cm^3, Te<3eV, and Ti˜Tn) that terminates on helium gas without touching any walls. Probes inserted into the plasma measure the basic plasma parameters in the NBL. The NBL begins where the plasma and neutral gas pressures equilibrate and the electrons and ions come to rest through collisions with the neutral gas. A field-aligned electric field (δφ/kTe˜1) is established self-consistently to maintain a current-free termination and dominates transport in the NBL, similar to a sheath but with a length L˜10λei˜10^2λen˜10^5λD. A two-fluid weakly-ionized transport model describes the system. A generalized Ohm's Law correctly predicts the electric field observed. The pressure balance criteria and magnitude of the termination electric field are confirmed over a scaling of parameters. The model can also be used to describe the atmospheric termination of aurora or fully detached gaseous divertors.

High-melting point sediment from refined coconut oil stored in a tank for a long term.

PubMed

Mochida, Yoshiyuki; Hasegawa, Fukiko

2008-01-01

A small amount of sediment occurs in refined coconut oil stored in a large-scale tank for a long term. This sediment is different from that generally called Cocos Wax, is insoluble in various organic solvents, and has an m.p. of about 100 degrees C. In this report, we have done a structural analysis of this sediment. The sediment was carried out by hydrolyzing with a KOH/ethyl alcohol solution including toluene. Samples were analyzed by elemental analysis, IR spectroscopy, EI-MS, CI-MS, field desorption mass spectrometry (FD-MS), and MALDI/TOF-MS. The hydrolyzates were a compound including an oxo group, and its relative molecular mass was 382 for the acid part and 412 for the unsaponified matter according to EI-MS (ionization energy was 70 eV and 15 eV) and CI-MS (reagent gases were i-butane, ammonia, and nitrogen monoxide). The relative molecular mass of the sediment was 1140 according to the mass spectrometry of FD, EI, and MALDI. It was elucidated based on the characteristic absorption analysis by IR and the fragmentation behavior of the EI-MS that the sediment was a wax ester, 3, 9-di-9-oxotetradocosanecarboxy-11-oxohexacosane, consisting of an acid part of 9-oxotetradocosanecarboxylic acid and an unsaponified matter of 3, 9-di-hydroxy-11-oxohexacosane.

77 FR 43275 - Extension of Public Comment Period for the Draft Environmental Impact Statement for Naval Air...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-24

... Facilities Engineering Command Southeast, NAS Key West Air Operations EIS Project Manager, P.O. Box 30... Facilities Engineering Command Southeast, NAS Key West Air Operations EIS Project Manager, P.O. Box 30, Building 903, NAS Jacksonville, FL 32212 or electronically via the project Web site ( http://www.keywesteis...

Electron impact ionization in the vicinity of comets

NASA Astrophysics Data System (ADS)

Cravens, T. E.; Kozyra, J. U.; Nagy, A. F.; Gombosi, T. I.; Kurtz, M.

1987-07-01

The solar wind interacts very strongly with the extensive cometary coma, and the various interaction processes are initiated by the ionization of cometary neutrals. The main ionization mechanism far outside the cometary bow shock is photoionization by solar extreme ultraviolet radiation.Electron distributions measured in the vicinity of comets Halley and Giacobini-Zinner by instruments on the VEGA and ICE spacecraft, respectively, are used to calculate electron impact ionization frequencies. Ionization by electrons is of comparable importance to photoionization in the magnetosheaths of Comets Halley and Giacobini-Zinner. The ionization frequency in the inner part of the cometary plasma region of comet Halley is several times greater than the photoionization value. Tables of ionization frequencies as functions of electron temperature are presented for H2O, CO2, CO, O, N2, and H.

Mass spectrometric methods for monitoring redox processes in electrochemical cells.

PubMed

Oberacher, Herbert; Pitterl, Florian; Erb, Robert; Plattner, Sabine

2015-01-01

Electrochemistry (EC) is a mature scientific discipline aimed to study the movement of electrons in an oxidation-reduction reaction. EC covers techniques that use a measurement of potential, charge, or current to determine the concentration or the chemical reactivity of analytes. The electrical signal is directly converted into chemical information. For in-depth characterization of complex electrochemical reactions involving the formation of diverse intermediates, products and byproducts, EC is usually combined with other analytical techniques, and particularly the hyphenation of EC with mass spectrometry (MS) has found broad applicability. The analysis of gases and volatile intermediates and products formed at electrode surfaces is enabled by differential electrochemical mass spectrometry (DEMS). In DEMS an electrochemical cell is sampled with a membrane interface for electron ionization (EI)-MS. The chemical space amenable to EC/MS (i.e., bioorganic molecules including proteins, peptides, nucleic acids, and drugs) was significantly increased by employing electrospray ionization (ESI)-MS. In the simplest setup, the EC of the ESI process is used to analytical advantage. A limitation of this approach is, however, its inability to precisely control the electrochemical potential at the emitter electrode. Thus, particularly for studying mechanistic aspects of electrochemical processes, the hyphenation of discrete electrochemical cells with ESI-MS was found to be more appropriate. The analytical power of EC/ESI-MS can further be increased by integrating liquid chromatography (LC) as an additional dimension of separation. Chromatographic separation was found to be particularly useful to reduce the complexity of the sample submitted either to the EC cell or to ESI-MS. Thus, both EC/LC/ESI-MS and LC/EC/ESI-MS are common. © 2013 The Authors. Mass Spectrometry Reviews published by Wiley Periodicals, Inc.

Mass spectrometric methods for monitoring redox processes in electrochemical cells

PubMed Central

Oberacher, Herbert; Pitterl, Florian; Erb, Robert; Plattner, Sabine

2015-01-01

Electrochemistry (EC) is a mature scientific discipline aimed to study the movement of electrons in an oxidation–reduction reaction. EC covers techniques that use a measurement of potential, charge, or current to determine the concentration or the chemical reactivity of analytes. The electrical signal is directly converted into chemical information. For in-depth characterization of complex electrochemical reactions involving the formation of diverse intermediates, products and byproducts, EC is usually combined with other analytical techniques, and particularly the hyphenation of EC with mass spectrometry (MS) has found broad applicability. The analysis of gases and volatile intermediates and products formed at electrode surfaces is enabled by differential electrochemical mass spectrometry (DEMS). In DEMS an electrochemical cell is sampled with a membrane interface for electron ionization (EI)-MS. The chemical space amenable to EC/MS (i.e., bioorganic molecules including proteins, peptides, nucleic acids, and drugs) was significantly increased by employing electrospray ionization (ESI)-MS. In the simplest setup, the EC of the ESI process is used to analytical advantage. A limitation of this approach is, however, its inability to precisely control the electrochemical potential at the emitter electrode. Thus, particularly for studying mechanistic aspects of electrochemical processes, the hyphenation of discrete electrochemical cells with ESI-MS was found to be more appropriate. The analytical power of EC/ESI-MS can further be increased by integrating liquid chromatography (LC) as an additional dimension of separation. Chromatographic separation was found to be particularly useful to reduce the complexity of the sample submitted either to the EC cell or to ESI-MS. Thus, both EC/LC/ESI-MS and LC/EC/ESI-MS are common. PMID:24338642

Quantum control via a genetic algorithm of the field ionization pathway of a Rydberg electron

NASA Astrophysics Data System (ADS)

Gregoric, Vincent C.; Kang, Xinyue; Liu, Zhimin Cheryl; Rowley, Zoe A.; Carroll, Thomas J.; Noel, Michael W.

2017-08-01

Quantum control of the pathway along which a Rydberg electron field ionizes is experimentally and computationally demonstrated. Selective field ionization is typically done with a slowly rising electric field pulse. The (1/n*)4 scaling of the classical ionization threshold leads to a rough mapping between arrival time of the electron signal and principal quantum number of the Rydberg electron. This is complicated by the many avoided level crossings that the electron must traverse on the way to ionization, which in general leads to broadening of the time-resolved field ionization signal. In order to control the ionization pathway, thus directing the signal to the desired arrival time, a perturbing electric field produced by an arbitrary wave-form generator is added to a slowly rising electric field. A genetic algorithm evolves the perturbing field in an effort to achieve the target time-resolved field ionization signal.

Influence of renormalization shielding on the electron-impact ionization process in dense partially ionized plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Mi-Young; Yoon, Jung-Sik; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr

2015-04-15

The renormalization shielding effects on the electron-impact ionization of hydrogen atom are investigated in dense partially ionized plasmas. The effective projectile-target interaction Hamiltonian and the semiclassical trajectory method are employed to obtain the transition amplitude as well as the ionization probability as functions of the impact parameter, the collision energy, and the renormalization parameter. It is found that the renormalization shielding effect suppresses the transition amplitude for the electron-impact ionization process in dense partially ionized plasmas. It is also found that the renormalization effect suppresses the differential ionization cross section in the peak impact parameter region. In addition, it ismore » found that the influence of renormalization shielding on the ionization cross section decreases with an increase of the relative collision energy. The variations of the renormalization shielding effects on the electron-impact ionization cross section are also discussed.« less

First results from CSSWE CubeSat: Characteristics of relativistic electrons in the near-Earth environment during the October 2012 magnetic storms

NASA Astrophysics Data System (ADS)

Li, X.; Schiller, Q.; Blum, L.; Califf, S.; Zhao, H.; Tu, W.; Turner, D. L.; Gerhardt, D.; Palo, S.; Kanekal, S.; Baker, D. N.; Fennell, J.; Blake, J. B.; Looper, M.; Reeves, G. D.; Spence, H.

2013-10-01

from the Relativistic Electron and Proton Telescope integrated little experiment (REPTile) on board the Colorado Student Space Weather Experiment (CSSWE) CubeSat mission, which was launched into a highly inclined (65°) low Earth orbit, are analyzed along with measurements from the Relativistic Electron and Proton Telescope (REPT) and the Magnetic Electron Ion Spectrometer (MagEIS) instruments aboard the Van Allen Probes, which are in a low inclination (10°) geo-transfer-like orbit. Both REPT and MagEIS measure the full distribution of energetic electrons as they traverse the heart of the outer radiation belt. However, due to the small equatorial loss cone (only a few degrees), it is difficult for REPT and MagEIS to directly determine which electrons will precipitate into the atmosphere, a major radiation belt loss process. REPTile, a miniaturized version of REPT, measures the fraction of the total electron population that has small enough equatorial pitch angles to reach the altitude of CSSWE, 480 km × 780 km, thus measuring the precipitating population as well as the trapped and quasi-trapped populations. These newly available measurements provide an unprecedented opportunity to investigate the source, loss, and energization processes that are responsible for the dynamic behavior of outer radiation belt electrons. The focus of this paper will be on the characteristics of relativistic electrons measured by REPTile during the October 2012 storms; also included are long-term measurements from the Solar Anomalous and Magnetospheric Particle Explorer to put this study into context.

Calculating the Velocity in the Moss

NASA Technical Reports Server (NTRS)

Womebarger, Amy R.; Tripathi, Durgesh; Mason, Helen

2011-01-01

The velocity of the warm (1 MK) plasma in the footpoint of the hot coronal loops (commonly called moss) could help discriminate between different heating frequencies in the active region core. Strong velocities would indicated low-frequency heating, while velocities close to zero would indicate high-frequency heating. Previous results have found disparaging observations, with both strong velocities and velocities close to zero reported. Previous results are based on observations from Hinode/EIS. The wavelength arrays for EIS spectra are typically calculated by assuming quiet Sun velocities are zero. In this poster, we determine the velocity in the moss using observations with SoHO/SUMER. We rely on neutral or singly ionized spectral lines to determine accurately the wavelength array associated with the spectra. SUMER scanned the active region twice, so we also report the stability of the velocity.

Target electron ionization in Li2+-Li collisions: A multi-electron perspective

NASA Astrophysics Data System (ADS)

Śpiewanowski, M. D.; Gulyás, L.; Horbatsch, M.; Kirchner, T.

2015-05-01

The recent development of the magneto-optical trap reaction-microscope has opened a new chapter for detailed investigations of charged-particle collisions from alkali atoms. It was shown that energy-differential cross sections for ionization from the outer-shell in O8+-Li collisions at 1500 keV/amu can be readily explained with the single-active-electron approximation. Understanding of K-shell ionization, however, requires incorporating many-electron effects. An ionization-excitation process was found to play an important role. We present a theoretical study of target electron removal in Li2+-Li collisions at 2290 keV/amu. The results indicate that in outer-shell ionization a single-electron process plays the dominant part. However, the K-shell ionization results are more difficult to interpret. On one hand, we find only weak contributions from multi-electron processes. On the other hand, a large discrepancy between experimental and single-particle theoretical results indicate that multi-electron processes involving ionization from the outer shell may be important for a complete understanding of the process. Work supported by NSERC, Canada and the Hungarian Scientific Research Fund.

[Study for the revision of analytical method for tris (2,3-dibromopropyl) phosphate with restriction in textiles].

PubMed

Mimura, Mayumi; Nakashima, Harunobu; Yoshida, Jin; Yoshida, Toshiaki; Kawakami, Tsuyoshi; Isama, Kazuo

2014-01-01

The official analytical method for tris(2,3-dibromopropyl)phosphate (TDBPP), which is banned from use in textile products by the "Act on Control of Household Products Containing Harmful Substances", requires revision. This study examined an analytical method for TDBPP by GC/MS using a capillary column. Thermal decomposition of TDBPP was observed by GC/MS measurement using capillary column, unlike in the case of gas chromatography/flame photometric detector (GC/FPD) measurement based on a direct injection method using a capillary megabore column. A quadratic curve, Y=2572X(1.416), was obtained for the calibration curve of GC/FPD in the concentration range 2.0-100 μg/mL. The detection limit was 1.0 μg/mL under S/N=3. The reproducibility for repetitive injections was satisfactory. A pretreatment method was established using methanol extraction, followed by liquid-liquid partition and purification with a florisil cartridge column. The recovery rate of this method was ～100%. TDBPP was not detected in any of the five commercial products that this study analyzed. To understand the cause of TDBPP decomposition during GC/MS (electron ionization; EI) measurement using capillary column, GC/MS (chemical ionization; CI), GC/FPD, and gas chromatography/flame ionization detector (GC/FID) measurements were conducted. It was suggested that TDBPP might thermally decompose both during GC injection, especially through a splitless injection method, and in the column or ion sources. To attempt GC/MS measurement, an injection part comprising quartz liner was used and the column length was halved (15 m); thus, only one peak could be obtained.

Simultaneous determination of eighteen nitro-polyaromatic hydrocarbons in PM2.5 by atmospheric pressure gas chromatography-tandem mass spectrometry.

PubMed

Zhang, Yanhao; Li, Ruijin; Fang, Jing; Wang, Chen; Cai, Zongwei

2018-05-01

A new atmospheric pressure gas chromatography-tandem mass spectrometry (APGC-MS/MS) was developed to simultaneously separate, identify and quantify 18 nitro-polyaromatic hydrocarbons (NPAHs) in air fine particulate matter (PM 2.5 ). Compared with traditional negative chemical ionization (NCI) or electron impact ionization (EI)-MS/MS methods, APGC-MS/MS equipped with an atmospheric pressure chemical ionization (APCI) source provided better sensitivity and selectivity for NPAHs analysis in PM 2.5 .18 NPAHs were completely separated, and satisfactory linear response (R 2  > 0.99), low instrumental detection limits (0.20-2.18 pg mL -1 ) and method detection limits (0.001-0.015 pg m -3 ) were achieved. Due to the reliable performance of the instrument, only minimal sample pretreatment is needed. It ensured the satisfactory method recovery (70%-120%) and qualified repeatability (RSD: 1.1%-17.2%), which met the requirement of trace analysis of NAPHs in the real environmental PM 2.5 . Using the developed method, the actual PM 2.5 samples collected from Taiyuan, China in both summer and winter were analyzed, and 17 NPAHs but 2-nitrofluorene were detected and quantified. According to the obtained NAPH concentration results, the generation mechanism of NPAHs in PM 2.5 and the effects on NPAHs formation caused by some ambient air pollutants were preliminarily discussed: secondary photochemical reaction might be the dominant source of NPAHs in PM 2.5 collected from Taiyuan in both summer and winter; ambient air pollutants (NO 2 , SO 2 , CO) had more contribution on the NPAHs secondary formation of PM 2.5 in winter. Copyright © 2018 Elsevier Ltd. All rights reserved.

Development of a highly-sensitive Penning ionization electron spectrometer using the magnetic bottle effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ota, Masahiro; Ishiguro, Yuki; Nakajima, Yutaro

2016-02-01

This paper reports on a highly-sensitive retarding-type electron spectrometer for a continuous source of electrons, in which the electron collection efficiency is increased by utilizing the magnetic bottle effect. This study demonstrates an application to Penning ionization electron spectroscopy using collisional ionization with metastable He*(2{sup 3}S) atoms. Technical details and performances of the instrument are presented. This spectrometer can be used for studies of functional molecules and assemblies, and exterior electron densities are expected to be selectively observed by the Penning ionization.

Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

NASA Technical Reports Server (NTRS)

Liechty, Derek S.; Lewis, Mark

2010-01-01

A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

Naval Research Laboratory Space Science Division Newsletter: 01/2007

DTIC Science & Technology

2007-04-20

Temperature Solar Flare Images 5. SECCHI HI-1B First Light 6. NRL SEAP Student Receives Intel Science Talent Search Semifinalist Award 7. NASA...achieved first light on 28 OCT 2006. EIS is observing emission lines produced by highly ionized elements in the solar corona and transition region of...measurements of the solar corona and CMEs as they propagate through the inner heliosphere. STEREO launched October 25, 2006, and achieved first light in early

Electron impact ionization of the gas-phase sorbitol

NASA Astrophysics Data System (ADS)

Chernyshova, Irina; Markush, Pavlo; Zavilopulo, Anatoly; Shpenik, Otto

2015-03-01

Ionization and dissociative ionization of the sorbitol molecule by electron impact have been studied using two different experimental methods. In the mass range of m/ z = 10-190, the mass spectra of sorbitol were recorded at the ionizing electron energies of 70 and 30 eV. The ion yield curves for the fragment ions have been analyzed and the appearance energies of these ions have been determined. The relative total ionization cross section of the sorbitol molecule was measured using monoenergetic electron beam. Possible fragmentation pathways for the sorbitol molecule were proposed.

Ratios of double to single ionization of He and Ne by strong 400-nm laser pulses using the quantitative rescattering theory

NASA Astrophysics Data System (ADS)

Chen, Zhangjin; Li, Xiaojin; Zatsarinny, Oleg; Bartschat, Klaus; Lin, C. D.

2018-01-01

We present numerical simulations of the ratio between double and single ionization of He and Ne by intense laser pulses at wavelengths of 390 and 400 nm, respectively. The yields of doubly charged ions due to nonsequential double ionization (NSDI) are obtained by employing the quantitative rescattering (QRS) model. In this model, the NSDI ionization probability is expressed as a product of the returning electron wave packet (RWP) and the total scattering cross sections for laser-free electron impact excitation and electron impact ionization of the parent ion. According to the QRS theory, the same RWP is also responsible for the emission of high-energy above-threshold ionization photoelectrons. To obtain absolute double-ionization yields, the RWP is generated by solving the time-dependent Schrödinger equation (TDSE) within a one-electron model. The same TDSE results can also be taken to obtain single-ionization yields. By using the TDSE results to calibrate single ionization and the RWP obtained from the strong-field approximation, we further simplify the calculation such that the nonuniform laser intensity distribution in the focused laser beam can be accounted for. In addition, laser-free electron impact excitation and ionization cross sections are calculated using the state-of-the-art many-electron R -matrix theory. The simulation results for double-to-single-ionization ratios are found to compare well with experimental data and support the validity of the nonsequential double-ionization mechanism for the covered intensity region.

Energy dependence of effective electron mass and laser-induced ionization of wide band-gap solids

NASA Astrophysics Data System (ADS)

Gruzdev, V. E.

2008-10-01

Most of the traditional theoretical models of laser-induced ionization were developed under the assumption of constant effective electron mass or weak dependence of the effective mass on electron energy. Those assumptions exclude from consideration all the effects resulting from significant increase of the effective mass with increasing of electron energy in real the conduction band. Promotion of electrons to the states with high effective mass can be done either via laserinduced electron oscillations or via electron-particle collisions. Increase of the effective mass during laser-material interactions can result in specific regimes of ionization. Performing a simple qualitative analysis by comparison of the constant-mass approximation vs realistic dependences of the effective mass on electron energy, we demonstrate that the traditional ionization models provide reliable estimation of the ionization rate in a very limited domain of laser intensity and wavelength. By taking into account increase of the effective mass with electron energy, we demonstrate that special regimes of high-intensity photo-ionization are possible depending on laser and material parameters. Qualitative analysis of the energy dependence of the effective mass also leads to conclusion that the avalanche ionization can be stopped by the effect of electron trapping in the states with large values of the effective mass.

Advanced PIC-MCC simulation for the investigation of step-ionization effect in intermediate-pressure capacitively coupled plasmas

NASA Astrophysics Data System (ADS)

Kim, Jin Seok; Hur, Min Young; Kim, Chang Ho; Kim, Ho Jun; Lee, Hae June

2018-03-01

A two-dimensional parallelized particle-in-cell simulation has been developed to simulate a capacitively coupled plasma reactor. The parallelization using graphics processing units is applied to resolve the heavy computational load. It is found that the step-ionization plays an important role in the intermediate gas pressure of a few Torr. Without the step-ionization, the average electron density decreases while the effective electron temperature increases with the increase of gas pressure at a fixed power. With the step-ionization, however, the average electron density increases while the effective electron temperature decreases with the increase of gas pressure. The cases with the step-ionization agree well with the tendency of experimental measurement. The electron energy distribution functions show that the population of electrons having intermediate energy from 4.2 to 12 eV is relaxed by the step-ionization. Also, it was observed that the power consumption by the electrons is increasing with the increase of gas pressure by the step-ionization process, while the power consumption by the ions decreases with the increase of gas pressure.

Interchange of electronic design through VHDL and EIS

NASA Technical Reports Server (NTRS)

Wallace, Richard M.

1987-01-01

The need for both robust and unambiguous electronic designs is a direct requirement of the astonishing growth in design and manufacturing capability during recent years. In order to manage the plethora of designs, and have the design data both interchangeable and interoperable, the Very High Speed Integrated Circuits (VHSIC) program is developing two major standards for the electronic design community. The VHSIC Hardware Description Language (VHDL) is designed to be the lingua franca for transmission of design data between designers and their environments. The Engineering Information System (EIS) is designed to ease the integration of data betweeen diverse design automation systems. This paper describes the rationale for the necessity for these two standards and how they provide a synergistic expressive capability across the macrocosm of design environments.

Attosecond Spectroscopy Probing Electron Correlation Dynamics

NASA Astrophysics Data System (ADS)

Winney, Alexander H.

Electrons are the driving force behind every chemical reaction. The exchange, ionization, or even relaxation of electrons is behind every bond broken or formed. According to the Bohr model of the atom, it takes an electron 150 as to orbit a proton[6]. With this as a unit time scale for an electron, it is clear that a pulse duration of several femtoseconds will not be sufficient to understanding electron dynamics. Our work demonstrates both technical and scientific achievements that push the boundaries of attosecond dynamics. TDSE studies show that amplification the yield of high harmonic generation (HHG) may be possible with transverse confinement of the electron. XUV-pump-XUV-probe shows that the yield of APT train can be sufficient for 2-photon double ionization studies. A zero dead-time detection system allows for the measurement of state-resolved double ionization for the first time. Exploiting attosecond angular streaking[7] probes sequential and non-sequential double ionization via electron-electron correlations with attosecond time resolution. Finally, using recoil frame momentum correlation, the fast dissociation of CH 3I reveals important orbital ionization dynamics of non-dissociative & dissociative, single & double ionization.

Influence of field ionization effect on the divergence of laser-driven fast electrons

NASA Astrophysics Data System (ADS)

Lang, Y.; Yang, X. H.; Xu, H.; Jin, Z.; Zhuo, H. B.

2018-07-01

The effect of field ionization on the divergence of fast electrons (E k ≥ 50 keV), driven by ultrashort-ultraintense laser pulse interaction with plasma, is studied by using 2D3V particle-in-cell simulations. It is found that, due to temperature anisotropy of the fast electrons in the ionizing target, strong fluctuant magnetic fields in the preplasma region is generated through Weibel instability. In turn, the field induces an enhancement of the hot electron divergence for the target with ionization process. Meanwhile, compared with the target without an ionization process, larger divergence of hot electrons can also be seen in the ionizing target with laser intensity varying from 5 × 1019 W/cm2 to 5 × 1020 W/cm2 and the divergence is weakly dependent on target materials for a fixed profile of preplasma. The results here are useful for the application of laser-driven fast electron beams.

Few-cycle attosecond pulse chirp effects on asymmetries in ionized electron momentum distributions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peng Liangyou; Tan Fang; Gong Qihuang

2009-07-15

The momentum distributions of electrons ionized from H atoms by chirped few-cycle attosecond pulses are investigated by numerically solving the time-dependent Schroedinger equation. The central carrier frequency of the pulse is chosen to be 25 eV, which is well above the ionization threshold. The asymmetry (or difference) in the yield of electrons ionized along and opposite to the direction of linear laser polarization is found to be very sensitive to the pulse chirp (for pulses with fixed carrier-envelope phase), both for a fixed electron energy and for the energy-integrated yield. In particular, the larger the pulse chirp, the larger themore » number of times the asymmetry changes sign as a function of ionized electron energy. For a fixed chirp, the ionized electron asymmetry is found to be sensitive also to the carrier-envelope phase of the few-cycle pulse.« less

21 CFR 1000.15 - Examples of electronic products subject to the Radiation Control for Health and Safety Act of 1968.

Code of Federal Regulations, 2012 CFR

2012-04-01

.... (a) Examples of electronic products which may emit x-rays and other ionizing electromagnetic radiation, electrons, neutrons, and other particulate radiation include: Ionizing electromagnetic radiation... radiation and ionizing electromagnetic radiation: Electron microscopes. Neutron generators. (b) Examples of...

21 CFR 1000.15 - Examples of electronic products subject to the Radiation Control for Health and Safety Act of 1968.

Code of Federal Regulations, 2010 CFR

2010-04-01

.... (a) Examples of electronic products which may emit x-rays and other ionizing electromagnetic radiation, electrons, neutrons, and other particulate radiation include: Ionizing electromagnetic radiation... radiation and ionizing electromagnetic radiation: Electron microscopes. Neutron generators. (b) Examples of...

21 CFR 1000.15 - Examples of electronic products subject to the Radiation Control for Health and Safety Act of 1968.

Code of Federal Regulations, 2011 CFR

2011-04-01

.... (a) Examples of electronic products which may emit x-rays and other ionizing electromagnetic radiation, electrons, neutrons, and other particulate radiation include: Ionizing electromagnetic radiation... radiation and ionizing electromagnetic radiation: Electron microscopes. Neutron generators. (b) Examples of...

21 CFR 1000.15 - Examples of electronic products subject to the Radiation Control for Health and Safety Act of 1968.

Code of Federal Regulations, 2014 CFR

2014-04-01

.... (a) Examples of electronic products which may emit x-rays and other ionizing electromagnetic radiation, electrons, neutrons, and other particulate radiation include: Ionizing electromagnetic radiation... radiation and ionizing electromagnetic radiation: Electron microscopes. Neutron generators. (b) Examples of...

21 CFR 1000.15 - Examples of electronic products subject to the Radiation Control for Health and Safety Act of 1968.

Code of Federal Regulations, 2013 CFR

2013-04-01

.... (a) Examples of electronic products which may emit x-rays and other ionizing electromagnetic radiation, electrons, neutrons, and other particulate radiation include: Ionizing electromagnetic radiation... radiation and ionizing electromagnetic radiation: Electron microscopes. Neutron generators. (b) Examples of...

Enhanced Ionization of Embedded Clusters by Electron-Transfer-Mediated Decay in Helium Nanodroplets.

PubMed

LaForge, A C; Stumpf, V; Gokhberg, K; von Vangerow, J; Stienkemeier, F; Kryzhevoi, N V; O'Keeffe, P; Ciavardini, A; Krishnan, S R; Coreno, M; Prince, K C; Richter, R; Moshammer, R; Pfeifer, T; Cederbaum, L S; Mudrich, M

2016-05-20

We report the observation of electron-transfer-mediated decay (ETMD) involving magnesium (Mg) clusters embedded in helium (He) nanodroplets. ETMD is initiated by the ionization of He followed by removal of two electrons from the Mg clusters of which one is transferred to the He ion while the other electron is emitted into the continuum. The process is shown to be the dominant ionization mechanism for embedded clusters for photon energies above the ionization potential of He. For Mg clusters larger than five atoms we observe stable doubly ionized clusters. Thus, ETMD provides an efficient pathway to the formation of doubly ionized cold species in doped nanodroplets.

Electrochemical impedance spectroscopy for study of electronic structure in disordered organic semiconductors—Possibilities and limitations

NASA Astrophysics Data System (ADS)

Schauer, F.; Nádaždy, V.; Gmucová, K.

2018-04-01

There is potential in applying conjugated polymers in novel organic optoelectronic devices, where a comprehensive understanding of the fundamental processes and energetics involved during transport and recombination is still lacking, limiting further device optimization. The electronic transport modeling and its optimization need the energy distribution of transport and defect states, expressed by the energy distribution of the Density of States (DOS) function, as input/comparative parameters. We present the Energy Resolved-Electrochemical Impedance Spectroscopy (ER-EIS) method for the study of transport and defect electronic states in organic materials. The method allows mapping over unprecedentedly wide energy and DOS ranges. The ER-EIS spectroscopic method is based on the small signal interaction between the surface of the organic film and the liquid electrolyte containing reduction-oxidation (redox) species, which is similar to the extraction of an electron by an acceptor and capture of an electron by a donor at a semiconductor surface. The desired DOS of electronic transport and defect states can be derived directly from the measured redox response signal to the small voltage perturbation at the instantaneous position of the Fermi energy, given by the externally applied voltage. The theory of the ER-EIS method and conditions for its validity for solid polymers are presented in detail. We choose four case studies on poly(3-hexylthiophene-2,5-diyl) and poly[methyl(phenyl)silane] to show the possibilities of the method to investigate the electronic structure expressed by DOS of polymers with a high resolution of about 6 orders of magnitude and in a wide energy range of 6 eV.

Decomposition reaction of the veterinary antibiotic ciprofloxacin using electron ionizing energy.

PubMed

Cho, Jae Young; Chung, Byung Yeoup; Lee, Kyeong-Bo; Lee, Geon-Hwi; Hwang, Seon Ah

2014-12-01

The application of electron ionizing energy for degrading veterinary antibiotic ciprofloxacin (CFX) in aqueous solution was elucidated. The degradation efficiency of CFX after irradiation with electron ionizing energy was 38% at 1 kGy, 80% at 5kGy, and 97% at 10 kGy. Total organic carbon of CFX in aqueous solution after irradiation with electron ionizing energy decreased 2% at 1 kGy, 18% at 5 kGy, and 53% at 10 kGy. The CFX degradation products after irradiation with electron ionizing energy were CFX1 ([M+H] m/z 330), CFX2 ([M+H] m/z 314), and CFX3 ([M+H] m/z 263). CFX1 had an F atom substituted with OH and CFX2 was expected to originate from CFX via loss of F or H2O. CFX3 was expected to originate from CFX via loss of the piperazynilic ring. Among the several radicals, hydrate electron (eaq(-)) is expected to play an important role in degradation of veterinary antibiotic during irradiation with electron ionizing energy. The toxicity of the degraded products formed during irradiation with electron ionizing energy was evaluated using microbes such as Escherichia coli, Pseudomonas putida, and Bacillus subtilis, and the results revealed that the toxicity decreased with irradiation. These results demonstrate that irradiation technology using electron ionizing energy is an effective was to remove veterinary antibiotics from an aquatic ecosystem. Copyright © 2014 Elsevier Ltd. All rights reserved.

Are there gender differences in the emotional intelligence of resident physicians?

PubMed

McKinley, Sophia K; Petrusa, Emil R; Fiedeldey-Van Dijk, Carina; Mullen, John T; Smink, Douglas S; Scott-Vernaglia, Shannon E; Kent, Tara S; Black-Schaffer, W Stephen; Phitayakorn, Roy

2014-01-01

Because academic literature indicates that emotional intelligence (EI) is tied to work performance, job satisfaction, burnout, and client satisfaction, there is great interest in understanding physician EI. To determine whether gender differences in resident EI profiles mirror EI gender differences in the general population. A total of 325 residents in 3 types of residency programs (pathology, pediatrics, and general surgery) at 3 large academic institutions were invited electronically to complete the validated Trait Emotional Intelligence Questionnaire (TEIQue), a tool consisting of 153 items that cluster to 15 independent facets, 4 composite factors, and 1 global EI score. The response rate was 42.8% (n = 139, women = 84). Global EI was not significantly different between men and women resident physicians (p = 0.74). Women scored higher than men in the TEIQue facets impulse control (p = 0.004) and relationships (p = 0.004). Men scored higher than women in 2 facets, stress management (p = 0.008) and emotion management (p = 0.023). Within surgery (n = 85, women = 46), women scored higher than men in impulse control (p = 0.006), whereas men scored higher in stress management (p = 0.008). Men and women residents across 3 specialties demonstrated near-identical global EI scores. However, gender differences in specific TEIQue facets suggest that similar to the general population, men and women residents may benefit from specific training of different EI domains to enhance well-rounded development. The lack of significant gender differences within surgery may indicate that surgery attracts individuals with particular EI profiles regardless of gender. Future research should focus on the functional relationship between educational interventions that promote targeted EI development and enhanced clinical performance. Copyright © 2014 Association of Program Directors in Surgery. Published by Elsevier Inc. All rights reserved.

Ionization Cross Sections and Dissociation Channels of DNA Bases by Electron Collisions

NASA Technical Reports Server (NTRS)

Huo, Winifred M.; Dateo, Christopher E.; Fletcher, Graham D.

2004-01-01

Free secondary electrons are the most abundant secondary species in ionizing radiation. Their role in DNA damage, both direct and indirect, is an active area of research. While indirect damage by free radicals, particularly by the hydroxyl radical generated by electron collision with water. is relatively well studied, damage by direct electron collision with DNA is less well understood. Only recently Boudaiffa et al. demonstrated that electrons at energies well below ionization thresholds can induce substantial yields of single- and double-strand breaks in DNA by a resonant, dissociative attachment process. This study attracted renewed interest in electron collisions with DNA, especially in the low energy region. At higher energies ionization becomes important. While Monte Carlo track simulations of radiation damage always include ionization, the probability of dissociative ionization, i.e., simultaneous ionization and dissociation, is ignored. Just like dissociative attachment, dissociative ionization may be an important contributor to double-strand breaks since the radicals and ions produced by dissociative ionization, located in the vicinity of the DNA coil, can readily interact with other parts of the DNA. Using the improved binary-encounter dipole (iBED) formulation, we calculated the ionization cross sections of the four DNA bases, adenine, cytosine, guanine, and thymine, by electrons at energies from threshold to 1 KeV. The present calculation gives cross sections approximately 20% lower than the results by Bemhardt and Paretzke using the Deutsch-Mark and Binary-Encounter-Bethe (BEB) formalisms. The difference is most likely due to the lack of a shielding term in the dipole potential used in the Deutsch-Mark and BEB formalisms. The dissociation channels of ionization for the bases are currently being studied.

Resonant- and avalanche-ionization amplification of laser-induced plasma in air

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Yue; Zhang, Zhili, E-mail: zzhang24@utk.edu; Jiang, Naibo

2014-10-14

Amplification of laser-induced plasma in air is demonstrated utilizing resonant laser ionization and avalanche ionization. Molecular oxygen in air is ionized by a low-energy laser pulse employing (2 + 1) resonance-enhanced multi-photon ionization (REMPI) to generate seed electrons. Subsequent avalanche ionization of molecular oxygen and nitrogen significantly amplifies the laser-induced plasma. In this plasma-amplification effect, three-body attachments to molecular oxygen dominate the electron-generation and -loss processes, while either nitrogen or argon acts as the third body with low electron affinity. Contour maps of the electron density within the plasma obtained in O₂/N₂ and O₂/Ar gas mixtures are provided to showmore » relative degrees of plasma amplification with respect to gas pressure and to verify that the seed electrons generated by O₂ 2 + 1 REMPI are selectively amplified by avalanche ionization of molecular nitrogen in a relatively low-pressure condition (≤100 Torr). Such plasma amplification occurring in air could be useful in aerospace applications at high altitude.« less

Differential cross sections for electron capture in p + H2 collisions

NASA Astrophysics Data System (ADS)

Igarashi, Akinori; Gulyás, Laszlo; Ohsaki, Akihiko

2017-11-01

Projectile angular distributions for electron capture in p + H2 collisions at 25 and 75 keV impact energies, measured by Sharma et al. [Phys. Rev. A 86, 022706 (2012)], are calculated using the CDW-EIS and eikonal approximations. Angular distributions evaluated in the CDW-EIS approximation are in good agreement with the experimental data measured for coherent projectile beams. Incoherent projectile scatterings are also considered by folding the coherent angular distributions over the transverse momentum distribution of the projectile wave-packet. Reasonable agreements with the measurements are obtained only with coherence parameters very different from those reported in the experiments.

Relative to the Caltech Electron/Isotope Spectrometer-IMP

NASA Technical Reports Server (NTRS)

1997-01-01

The Electron Isotope Spectrometers (EIS) on IMP-8 was designed to provide measurements of low energy isotopes from H to O (1 less than or equal to Z less than or equal to 8) over the energy range from approx. 2 to approx. 40 MeV/nuc, as well as low energy electrons from approx. 0.2 to approx. 6 MeV. These measurements supported studies of the acceleration and transport of energetic particles originating on the Sun, in interplanetary space, in the Galaxy, and in Earth's and Jupiter's magnetosphere. IMP-8 was launched in October 1973 and still continues to provide key particles and fields measurements from orbit about the Earth. The IMP-8 EIS continued to operate flawlessly until 8/3/92, when a partial failure was suffered in a bias supply, which reduced the ability of the instrument to measure high energy particles. The EIS was subsequently turned off in 1995. A nearly identical instrument was flown on IMP-7 from 10/92 to 7/96, and many studies combined results from both instruments. For completeness, this report summarizes scientific results and publications from the entire IMP-7&8 effort, not just from the period covered by NAG5-727.

Ion Densities in the Nightside Ionosphere of Mars: Effects of Electron Impact Ionization

NASA Astrophysics Data System (ADS)

Girazian, Z.; Mahaffy, P.; Lillis, R. J.; Benna, M.; Elrod, M.; Fowler, C. M.; Mitchell, D. L.

2017-11-01

We use observations from the Mars Atmosphere and Volatile EvolutioN (MAVEN) mission to show how superthermal electron fluxes and crustal magnetic fields affect ion densities in the nightside ionosphere of Mars. We find that due to electron impact ionization, high electron fluxes significantly increase the CO2+, O+, and O2+ densities below 200 km but only modestly increase the NO+ density. High electron fluxes also produce distinct peaks in the CO2+, O+, and O2+ altitude profiles. We also find that superthermal electron fluxes are smaller near strong crustal magnetic fields. Consequently, nightside ion densities are also smaller near strong crustal fields because they decay without being replenished by electron impact ionization. Furthermore, the NO+/O2+ ratio is enhanced near strong crustal fields because, in the absence of electron impact ionization, O2+ is converted into NO+ and not replenished. Our results show that electron impact ionization is a significant source of CO2+, O+, and O2+ in the nightside ionosphere of Mars.

Simultaneous resonant enhanced multiphoton ionization and electron avalanche ionization in gas mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shneider, Mikhail N.; Zhang Zhili; Miles, Richard B.

2008-07-15

Resonant enhanced multiphoton ionization (REMPI) and electron avalanche ionization (EAI) are measured simultaneously in Ar:Xe mixtures at different partial pressures of mixture components. A simple theory for combined REMPI+EAI in gas mixture is developed. It is shown that the REMPI electrons seed the avalanche process, and thus the avalanche process amplifies the REMPI signal. Possible applications are discussed.

Observation of increased space-charge limited thermionic electron emission current by neutral gas ionization in a weakly-ionized deuterium plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hollmann, E. M.; Yu, J. H.; Doerner, R. P.

2015-09-14

The thermionic electron emission current emitted from a laser-produced hot spot on a tungsten target in weakly-ionized deuterium plasma is measured. It is found to be one to two orders of magnitude larger than expected for bipolar space charge limited thermionic emission current assuming an unperturbed background plasma. This difference is attributed to the plasma being modified by ionization of background neutrals by the emitted electrons. This result indicates that the allowable level of emitted thermionic electron current can be significantly enhanced in weakly-ionized plasmas due to the presence of large neutral densities.

Correlated electron and nuclear dynamics in strong field photoionization of H(2)(+).

PubMed

Silva, R E F; Catoire, F; Rivière, P; Bachau, H; Martín, F

2013-03-15

We present a theoretical study of H(2)(+) ionization under strong IR femtosecond pulses by using a method designed to extract correlated (2D) photoelectron and proton kinetic energy spectra. The results show two distinct ionization mechanisms-tunnel and multiphoton ionization-in which electrons and nuclei do not share the energy from the field in the same way. Electrons produced in multiphoton ionization share part of their energy with the nuclei, an effect that shows up in the 2D spectra in the form of energy-conservation fringes similar to those observed in weak-field ionization of diatomic molecules. In contrast, tunneling electrons lead to fringes whose position does not depend on the proton kinetic energy. At high intensity, the two processes coexist and the 2D plots show a very rich behavior, suggesting that the correlation between electron and nuclear dynamics in strong field ionization is more complex than one would have anticipated.

Coulomb-repulsion-assisted double ionization from doubly excited states of argon

NASA Astrophysics Data System (ADS)

Liao, Qing; Winney, Alexander H.; Lee, Suk Kyoung; Lin, Yun Fei; Adhikari, Pradip; Li, Wen

2017-08-01

We report a combined experimental and theoretical study to elucidate nonsequential double-ionization dynamics of argon atoms at laser intensities near and below the recollision-induced ionization threshold. Three-dimensional momentum measurements of two electrons arising from strong-field nonsequential double ionization are achieved with a custom-built electron-electron-ion coincidence apparatus, showing laser intensity-dependent Coulomb repulsion effect between the two outgoing electrons. Furthermore, a previously predicted feature of double ionization from doubly excited states is confirmed in the distributions of sum of two-electron momenta. A classical ensemble simulation suggests that Coulomb-repulsion-assisted double ionization from doubly excited states is at play at low laser intensity. This mechanism can explain the dependence of Coulomb repulsion effect on the laser intensity, as well as the transition from side-by-side to back-to-back dominant emission along the laser polarization direction.

Mapping and quantifying isomer sets of hydrocarbons (≥ C12) in diesel exhaust, lubricating oil and diesel fuel samples using GC × GC-ToF-MS

NASA Astrophysics Data System (ADS)

Alam, Mohammed S.; Zeraati-Rezaei, Soheil; Liang, Zhirong; Stark, Christopher; Xu, Hongming; MacKenzie, A. Rob; Harrison, Roy M.

2018-05-01

Airborne particles and vapours, like many other environmental samples including water, soils and sediments, contain complex mixtures of hydrocarbons, often deriving from crude oil either before or after fractionation into fuels, lubricants and feedstocks. Comprehensive 2D gas chromatography time-of-flight mass spectrometry (GC × GC-ToF-MS), offers a very powerful technique that separates and identifies many compounds in complicated hydrocarbon mixtures. However, quantification and identification of individual constituents at high ionization energies would require hundreds of expensive (when available) standards for calibration. Although the precise chemical structure of hydrocarbons does matter for their environmental impact and fate, strong similarities can be expected for compounds having very similar chemical structures and carbon numbers. There is, therefore, a clear benefit in an analytical technique which is specific enough to separate different classes of compounds and to distinguish homologous series while avoiding the need to handle each isomer individually. Varying EI (electron impact) ionization mass spectrometry significantly enhances the identification of individual isomers and homologous compound groups, which we refer to as isomer sets. Advances are reported in mapping and quantifying isomer sets of hydrocarbons (≥ C12) in diesel fuel, lubricating oil and diesel exhaust emissions. By using this analysis we report mass closures of ca. 90 and 75 % for diesel fuel and lubricating oil, and identify 85 and 75 % of the total ion current for gas- and particulate-phase diesel exhaust emissions.

Hair analysis for delta(9)-THC, delta(9)-THC-COOH, CBN and CBD, by GC/MS-EI. Comparison with GC/MS-NCI for delta(9)-THC-COOH.

PubMed

Baptista, Maria João; Monsanto, Paula Verâncio; Pinho Marques, Estela Gouveia; Bermejo, Ana; Avila, Sofia; Castanheira, Alice Martelo; Margalho, Cláudia; Barroso, Mário; Vieira, Duarte Nuno

2002-08-14

A sensitive analytical method was developed for quantitative analysis of delta(9)-tetrahydrocannabinol (delta(9)-THC), 11-nor-delta(9)-tetrahydrocannabinol-carboxylic acid (delta(9)-THC-COOH), cannabinol (CBN) and cannabidiol (CBD) in human hair. The identification of delta(9)-THC-COOH in hair would document Cannabis use more effectively than the detection of parent drug (delta(9)-THC) which might have come from environmental exposure. Ketamine was added to hair samples as internal standard for CBN and CBD. Ketoprofen was added to hair samples as internal standard for the other compounds. Samples were hydrolyzed with beta-glucuronidase/arylsulfatase for 2h at 40 degrees C. After cooling, samples were extracted with a liquid-liquid extraction procedure (with chloroform/isopropyl alcohol, after alkalinization, and n-hexane/ethyl acetate, after acidification), which was developed in our laboratory. The extracts were analysed before and after derivatization with pentafluoropropionic anhydride (PFPA) and pentafluoropropanol (PFPOH) using a Hewlett Packard gas chromatographer/mass spectrometer detector, in electron impact mode (GC/MS-EI). Derivatized delta(9)-THC-COOH was also analysed using a Hewlett Packard gas chromatographer/mass spectrometer detector, in negative ion chemical ionization mode (GC/MS-NCI) using methane as the reagent gas. Responses were linear ranging from 0.10 to 5.00 ng/mg hair for delta(9)-THC and CBN, 0.10-10.00 ng/mg hair for CBD, 0.01-5.00 ng/mg for delta(9)-THC-COOH (r(2)>0.99). The intra-assay precisions ranged from <0.01 to 12.40%. Extraction recoveries ranged from 80.9 to 104.0% for delta(9)-THC, 85.9-100.0% for delta(9)-THC-COOH, 76.7-95.8% for CBN and 71.0-94.0% for CBD. The analytical method was applied to 87 human hair samples, obtained from individuals who testified in court of having committed drug related crimes. Quantification of delta(9)-THC-COOH using GC/MS-NCI was found to be more convenient than GC/MS-EI. The latter may give rise to false negatives due to the detection limit.

Synthesis and Mass Spectrometric Characterization of Organic Nitrates

NASA Astrophysics Data System (ADS)

Grünert, A.; Woidich, S.; Ballschmiter, K.

2003-04-01

Organic nitrates, as trace constituents in urban air, can be analyzed by adsorptive low volume sampling (LVS) as well as by adsorptive high volume sampling (HVS). Air samples ranging from 25 L to 100 L for the LVS and 100 m3 to 500 m3 for the (HVS) were collected, respectively. Analysis is performed by thermodesorption (LVS) or solvent elution combined with group separation (HVS) using normal-phase HPLC and high resolution capillary gas chromatography with electron capture detection (HRGC-ECD) and mass selective detection (HRGC-MSD). For identification and quantification available reference compounds are required for both methods (1;2). Following numbers of congeners of organic nitrate have been synthesized: 77 monoalkyl nitrates (C1-C16), 43 dialkyl nitrates (C2-C10), 37 hydroxy alkyl nitrates (C2-C8) and 41 carbonyl alkyl nitrates (C3-C12). Alkanes, alkenes, alcohols, ketones and halocarbons have been used as precursors. Characterisation of the reference compounds by retention-data and mass-spectra was performed by high resolution capillary gas chromatography with mass selective detection in the EI- and the NCI (CH4) mode (1-3). EI-ionization leads to the dominating indicator ion NO2+ for organic nitrates with m/z = 46 u. The characteristic fragments with NCI (CH4) show ions at m/z = 46 u and m/z = 62 u, corresponding to NO2- and NO3-. The use of flame ionisation detection (HRGC-FID) and the principle of the molar response for carbon allows the quantitation of reference solutions as the final tool for the determination of the levels and patterns of organic nitrates in urban air samples. (1) J. Kastler: "Analytik, Massenspektrometrie und Vorkommen multifunktioneller Alkylnitrate in belasteter und unbelasteter Atmosphäre" Dr.rer.nat.-Thesis, University of Ulm (1999) (2) G. Werner, J. Kastler, R. Looser, K. Ballschmiter: "Organic Nitrates of Isoprenes as Atmospheric Trace Compounds" Angew. Chem. Int. Ed. (1999) 38(11): 1634-1637 (3) S.Woidich, O. Froscheis, O. Luxenhofer, K. Ballschmiter: "EI- and NCI-mass spectrometry of aryl-alkyl nitrates and their occurrence in urban air" Fresenius J Anal Chem (1999) 364: 91-99

Ionization of NO at high temperature

NASA Technical Reports Server (NTRS)

Hansen, C. Frederick

1991-01-01

Space vehicles flying through the atmosphere at high speed are known to excite a complex set of chemical reactions in the atmospheric gases, ranging from simple vibrational excitation to dissociation, atom exchange, electronic excitation, ionization, and charge exchange. Simple arguments are developed for the temperature dependence of the reactions leading to ionization of NO, including the effect of vibrational electronic thermal nonequilibrium. NO ionization is the most important source of electrons at intermediate temperatures and at higher temperatures provides the trigger electrons that ionize atoms. Based on these arguments, recommendations are made for formulae which fit observed experimental results, and which include a dependence on both a heavy particle temperature and different vibration electron temperatures. In addition, these expressions will presumably provide the most reliable extrapolation of experimental results to much higher temperatures.

Probing electron delays in above-threshold ionization

DOE PAGES

Zipp, Lucas J.; Natan, Adi; Bucksbaum, Philip H.

2014-11-21

Recent experiments have revealed attosecond delays in the emission of electrons from atoms ionized by extreme UV light, offering a glimpse into the ultrafast nature of light-induced electron dynamics. In this work, we extend these measurements to the strong-field above-threshold ionization (ATI) regime, by measuring delays in the photoemission of electrons from argon in the presence of an intense laser field. We probe the ATI process with a weak coherent reference, at half the laser frequency. The interfering ionization signal reveals the relative spectral phase of adjacent ATI channels, with an equivalent resolution of a few attoseconds. These relative delaysmore » depend on the strong field, and approach zero at higher intensity. Our phase measurements of ATI electrons show how strong fields alter ionization dynamics in atoms.« less

Ultra-low emittance electron beam generation using ionization injection in a plasma beatwave accelerator

NASA Astrophysics Data System (ADS)

Schroeder, Carl; Benedetti, Carlo; Esarey, Eric; Leemans, Wim

2017-10-01

Ultra-low emittance beams can be generated using ionization injection of electrons into a wakefield excited by a plasma beatwave accelerator. This all-optical method of electron beam generation uses three laser pulses of different colors. Two long-wavelength laser pulses, with frequency difference equal to the plasma frequency, resonantly drive a plasma wave without fully ionizing a gas. A short-wavelength injection laser pulse (with a small ponderomotive force and large peak electric field), co-propagating and delayed with respect to the beating long-wavelength lasers, ionizes a fraction of the remaining bound electrons at a trapped wake phase, generating an electron beam that is accelerated in the wakefield. Using the beating of long-wavelength pulses to generate the wakefield enables atomically-bound electrons to remain at low ionization potentials, reducing the required amplitude of the ionization pulse, and, hence, the initial transverse momentum and emittance of the injected electrons. An example is presented using two lines of a CO2 laser to form a plasma beatwave accelerator to drive the wake and a frequency-doubled Ti:Al2O3 laser for ionization injection. Supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

Selectivity of Electronic Coherence and Attosecond Ionization Delays in Strong-Field Double Ionization

NASA Astrophysics Data System (ADS)

Kobayashi, Yuki; Reduzzi, Maurizio; Chang, Kristina F.; Timmers, Henry; Neumark, Daniel M.; Leone, Stephen R.

2018-06-01

Experiments are presented on real-time probing of coherent electron dynamics in xenon initiated by strong-field double ionization. Attosecond transient absorption measurements allow for characterization of electronic coherences as well as relative ionization timings in multiple electronic states of Xe+ and Xe2 + . A high degree of coherence g =0.4 is observed between P3 2 0-P3 0 0 of Xe2 + , whereas for other possible pairs of states the coherences are below the detection limits of the experiments. A comparison of the experimental results with numerical simulations based on an uncorrelated electron-emission model shows that the coherences produced by strong-field double ionization are more selective than predicted. Surprisingly short ionization time delays, 0.85 fs, 0.64 fs, and 0.75 fs relative to Xe+ formation, are also measured for the P2 3 , P0 3 , and P1 3 states of Xe2 + , respectively. Both the unpredicted selectivity in the formation of coherence and the subfemtosecond time delays of specific states provide new insight into correlated electron dynamics in strong-field double ionization.

Electron gyroharmonic effects in ionization and electron acceleration during high-frequency pumping in the ionosphere.

PubMed

Gustavsson, B; Leyser, T B; Kosch, M; Rietveld, M T; Steen, A; Brändström, B U E; Aso, T

2006-11-10

Optical emissions and incoherent scatter radar data obtained during high-frequency electromagnetic pumping of the ionospheric plasma from the ground give data on electron energization in an energy range from 2 to 100 eV. Optical emissions at 4278 A from N2+ that require electrons with energies above the 18 eV ionization energy give the first images ever of pump-induced ionization of the thermosphere. The intensity at 4278 A is asymmetric around the ionospheric electron gyroharmonic, being stronger above the gyroresonance. This contrasts with emissions at 6300 A from O(1D) and of electron temperature enhancements, which have minima at the gyroharmonic but have no apparent asymmetry. This direct evidence of pump-induced ionization contradicts previous indirect evidence, which indicated that ionization is most efficiently produced when the pump frequency was below the gyroharmonic.

Phenol-selective mass spectrometric analysis of jet fuel.

PubMed

Zhu, Haoxuan; Janusson, Eric; Luo, Jingwei; Piers, James; Islam, Farhana; McGarvey, G Bryce; Oliver, Allen G; Granot, Ori; McIndoe, J Scott

2017-08-21

Bromobenzyl compounds react selectively with phenols via the Williamson ether synthesis. An imidazolium charge-tagged bromobenzyl compound can be used to reveal phenol impurities in jet fuel by analysis via electrospray ionization mass spectrometry. The complex matrix as revealed by Cold EI GC/MS analysis is reduced to a few simple sets of compounds in the charge-tagged ESI mass spectrum, primarily substituted phenols and thiols. Examination of jet fuels treated by different refinery methods reveals the efficacy of these approaches in removing these contaminants.

Modeling of laser-induced ionization of solid dielectrics for ablation simulations: role of effective mass

NASA Astrophysics Data System (ADS)

Gruzdev, Vitaly

2010-11-01

Modeling of laser-induced ionization and heating of conduction-band electrons by laser radiation frequently serves as a basis for simulations supporting experimental studies of laser-induced ablation and damage of solid dielectrics. Together with band gap and electron-particle collision rate, effective electron mass is one of material parameters employed for the ionization modeling. Exact value of the effective mass is not known for many materials frequently utilized in experiments, e.g., fused silica and glasses. Because of that reason, value of the effective mass is arbitrary varied around "reasonable values" for the ionization modeling. In fact, it is utilized as a fitting parameter to fit experimental data on dependence of ablation or damage threshold on laser parameters. In this connection, we study how strong is the influence of variations of the effective mass on the value of conduction-band electron density. We consider influence of the effective mass on the photo-ionization rate and rate of impact ionization. In particular, it is shown that the photo-ionization rate can vary by 2-4 orders of magnitude with variation of effective mass by 50%. Impact ionization shows a much weaker dependence on effective mass, but it significantly enhances the variations of seed-electron density produced by the photo-ionization. Utilizing those results, we demonstrate that variation of effective mass by 50% produces variations of conduction-band electron density by 6 orders of magnitude. In this connection, we discuss the general issues of the current models of laser-induced ionization.

Possible modification of the cooling index of interstellar helium pickup ions by electron impact ionization in the inner heliosphere

NASA Astrophysics Data System (ADS)

Chen, Jun Hong; Bochsler, Peter; Möbius, Eberhard; Gloeckler, George

2014-09-01

Interstellar neutrals penetrating into the inner heliosphere are ionized by photoionization, charge exchange with solar wind ions, and electron impact ionization. These processes comprise the first step in the evolution of interstellar pickup ion (PUI) distributions. Typically, PUI distributions have been described in terms of velocity distribution functions that cool adiabatically under solar wind expansion, with a cooling index of 3/2. Recently, the cooling index has been determined experimentally in observations of He PUI distributions with Advanced Composition Explorer (ACE)/Solar Wind Ion Composition Spectrometer and found to vary substantially over the solar cycle. The experimental determination of the cooling index depends on the knowledge of the ionization rates and their spatial variation. Usually, ionization rates increase with 1/r2 as neutral particles approach the Sun, which is not exactly true for electron impact ionization, because the electron temperature increases with decreasing distance from the Sun due to the complexity of its distributions and different radial gradients in temperature. This different dependence on distance may become important in the study of the evolution of PUI distributions and is suspected as one of the potential reasons for the observed variation of the cooling index. Therefore, we investigate in this paper the impact of electron ionization on the variability of the cooling index. We find that the deviation of the electron ionization rate from the canonical 1/r2 behavior of other ionization processes plays only a minor role.

Electron-Impact Ionization and Dissociative Ionization of Biomolecules

NASA Technical Reports Server (NTRS)

Huo, Winifred M.; Chaban, Galina M.; Dateo, Christopher E.

2006-01-01

It is well recognized that secondary electrons play an important role in radiation damage to humans. Particularly important is the damage of DNA by electrons, potentially leading to mutagenesis. Molecular-level study of electron interaction with DNA provides information on the damage pathways and dominant mechanisms. Our study of electron-impact ionization of DNA fragments uses the improved binary-encounter dipole model and covers DNA bases, sugar phosphate backbone, and nucleotides. An additivity principle is observed. For example, the sum of the ionization cross sections of the separate deoxyribose and phosphate fragments is in close agreement with the C3(sup prime)- and C5 (sup prime)-deoxyribose-phospate cross sections, differing by less than 5%. Investigation of tandem double lesion initiated by electron-impact dissociative ionization of guanine, followed by proton reaction with the cytosine in the Watson-Crick pair, is currently being studied to see if tandem double lesion can be initiated by electron impact. Up to now only OH-induced tandem double lesion has been studied.

Ionization Cross Sections and Dissociation Channels of the DNA Sugar-Phosphate Backbone by Electron Collisions

NASA Technical Reports Server (NTRS)

Dateo, Christopher; Huo, Winifred M.; Fletcher, Graham D.

2004-01-01

It has been suggested that the genotoxic effects of ionizing radiation in living cells are not caused by the highly energetic incident radiation, but rather are induced by less energetic secondary species generated, the most abundant of which are free electrons.' The secondary electrons will further react to cause DNA damage via indirect and direct mechanisms. Detailed knowledge of these mechanisms is ultimately important for the development of global models of cellular radiation damage. We are studying one possible mechanism for the formation cf DNA strand breaks involving dissociative ionization of the DNA sugar-phosphate backbone induced by secondary electron co!lisions. We will present ionization cross sections at electron collision energies between threshold and 10 KeV using the improved binary encounter dipole (iBED) formulation' Preliminary results of the possible dissociative ionization pathways will be presented. It is speculated that radical fragments produced from the dissociative ionization can further react, providing a possible mechanism for double strand breaks and base damage.

On the Effects of Bremsstrahlung Radiation During Energetic Electron Precipitation

NASA Astrophysics Data System (ADS)

Xu, Wei; Marshall, Robert A.; Fang, Xiaohua; Turunen, Esa; Kero, Antti

2018-01-01

Precipitation of energetic particles into the Earth's atmosphere can significantly change the properties, dynamics, as well as the chemical composition of the upper and middle atmosphere. In this paper, using Monte Carlo models, we simulate, from first principles, the interaction of monoenergetic beams of precipitating electrons with the atmosphere, with particular emphasis on the process of bremsstrahlung radiation and its resultant ionization production and atmospheric effects. The pitch angle dependence of the ionization rate profile has been quantified: the altitude of peak ionization rate depends on the pitch angle by a few kilometers. We also demonstrate that the transport of precipitating electron energy in the form of bremsstrahlung photons leads to ionization at altitudes significantly lower than the direct impact ionization, as low as ˜20 km for 1 MeV precipitating electrons. Moreover, chemical modeling results suggest that the chemical effects in the atmosphere due to bremsstrahlung-induced ionization production during energetic electron precipitation are likely insignificant.

Renormalization group method based on the ionization energy theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arulsamy, Andrew Das, E-mail: sadwerdna@gmail.com; School of Physics, University of Sydney, Sydney, New South Wales 2006

2011-03-15

Proofs are developed to explicitly show that the ionization energy theory is a renormalized theory, which mathematically exactly satisfies the renormalization group formalisms developed by Gell-Mann-Low, Shankar and Zinn-Justin. However, the cutoff parameter for the ionization energy theory relies on the energy-level spacing, instead of lattice point spacing in k-space. Subsequently, we apply the earlier proofs to prove that the mathematical structure of the ionization-energy dressed electron-electron screened Coulomb potential is exactly the same as the ionization-energy dressed electron-phonon interaction potential. The latter proof is proven by means of the second-order time-independent perturbation theory with the heavier effective mass condition,more » as required by the electron-electron screened Coulomb potential. The outcome of this proof is that we can derive the heat capacity and the Debye frequency as a function of ionization energy, which can be applied in strongly correlated matter and nanostructures.« less

Electron affinities and ionization energies of Cu and Ag delafossite compounds: A hybrid functional study

NASA Astrophysics Data System (ADS)

Miao, Mao-Sheng; Yarbro, Sam; Barton, Phillip T.; Seshadri, Ram

2014-01-01

Using density functional theory with a hybrid functional, we calculate the ionization energies and electron affinities of a series of delafossite compounds (AMO2: A =Cu, Ag; M =B, Al, Ga, In, Sc). The alignments of the valence band maximum and the conduction band minimum, which directly relate to the ionization energies and electron affinities, were obtained by calculations of supercell slab models constructed in a nonpolar orientation. Our calculations reveal that the ionization energy decreases with an increasing atomic number of group-III elements, and thus suggest an improved p-type doping propensity for heavier compounds. For keeping both a low ionization energy and a band gap of sufficient size, CuScO2 is superior to the Cu-based group-III delafossites. By analyzing the electronic structures, we demonstrate that the compositional trend of the ionization energies and electron affinities is the result of a combined effect of d-band broadening due to Cu(Ag)-Cu(Ag) coupling and a repositioning of the d-band center.

Self-organization and self-limitation in high power impulse magnetron sputtering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anders, Andre

The plasma over the racetrack in high power impulse magnetron sputtering develops in traveling ionization zones. Power densities can locally reach 10{sup 9} W/m{sup 2}, which is much higher than usually reported. Ionization zones move because ions are 'evacuated' by the electric field, exposing neutrals to magnetically confined, drifting electrons. Drifting secondary electrons amplify ionization of the same ionization zone where the primary ions came from, while sputtered and outgassing atoms are supplied to the following zone(s). Strong density gradients parallel to the target disrupt electron confinement: a negative feedback mechanism that stabilizes ionization runaway.

Quantifying the Spatial and Temporal Properties of Microbursts with Multi-spacecraft Missions

NASA Astrophysics Data System (ADS)

Shumko, M.; Turner, D. L.; Sample, J. G.; O'Brien, T. P., III; Claudepierre, S. G.; Fennell, J. F.; Johnson, A.; Blake, J. B.; Agapitov, O. V.; Crew, A. B.; Klumpar, D. M.; Spence, H. E.

2017-12-01

The outer electron Van Allen radiation belt is highly variable, and is at times, depleted on the order of one day or less. One loss mechanism potentially capable of depleting the belts on such timescales is electron microbursts, a sporadic and sudden burst of electrons, routinely observed in Low Earth Orbit (LEO). To quantify their contribution to radiation belt electron loss, their spatio-temporal morphology must be well characterized and constrained. These properties can be investigated by multi-spacecraft missions e.g. Focused Investigations of Relativistic Electron Burst Intensity, Range, and Dynamics (FIREBIRD-II), AeroCube 6 (AC6) and the Van Allen Probes (VAP). We present results of microburst scale sizes derived using FIREBIRD-II and AC-6 CubeSats pairs. In addition, we present results of a conjunction between AC6 and VAP at L 5. Lower band chorus was observed by the EMFISIS instrument, while microbursts were observed with its MagEIS instrument, and AC6 in LEO. We believe that this MagEIS observation is the first known measurement of an electron microburst outside of LEO.

Sequential Double lonization: The Timing of Release

NASA Astrophysics Data System (ADS)

Pfeiffer, A.

2011-05-01

The timing of electron release in strong field double ionization poses great challenges both for conceptual definition and for conducting experimental measurement. Here we present coincidence momentum measurements of the doubly charged ion and of the two electrons arising from double ionization of Argon using elliptically (close to circularly) polarized laser pulses. Based on a semi-classical model, the ionization times are calculated from the measured electron momenta across a large intensity range. Exploiting the attoclock technique we have direct access to timings on a coarse and on a fine scale, similar to the hour and the minute hand of a clock. In our attoclock, the magnitude of the electron momenta follows the envelope of the laser pulse and gives a coarse timing for the electron releases (the hour hand), while the fine timing (the minute hand) is provided by the emission angle of the electrons. The first of our findings is that due to depletion the averaged ionization time moves towards the beginning of the pulse with increasing intensity, confirming the results of Maharjan et al., and that the ion momentum distribution projected onto the minor polarization axis shows a bifurcation from a 3-peak to a 4-peak structure. This effect can be fully understood by modeling the process semi-classically in the independent electron approximation following the simple man's model. The ionization time measurement performed with the attoclock shows that the release time of the first electron is in good agreement with the semi-classical simulation performed on the basis of Sequential Double lonization (SDI), whereas the ionization of the second electron occurs significantly earlier than predicted. This observation suggests that electron correlation and other Non-Sequential Double lonization (NSDI) mechanisms may play an important role also in the case of strong field double ionization by close-to-circularly polarized laser pulses. The timing of electron release in strong field double ionization poses great challenges both for conceptual definition and for conducting experimental measurement. Here we present coincidence momentum measurements of the doubly charged ion and of the two electrons arising from double ionization of Argon using elliptically (close to circularly) polarized laser pulses. Based on a semi-classical model, the ionization times are calculated from the measured electron momenta across a large intensity range. Exploiting the attoclock technique we have direct access to timings on a coarse and on a fine scale, similar to the hour and the minute hand of a clock. In our attoclock, the magnitude of the electron momenta follows the envelope of the laser pulse and gives a coarse timing for the electron releases (the hour hand), while the fine timing (the minute hand) is provided by the emission angle of the electrons. The first of our findings is that due to depletion the averaged ionization time moves towards the beginning of the pulse with increasing intensity, confirming the results of Maharjan et al., and that the ion momentum distribution projected onto the minor polarization axis shows a bifurcation from a 3-peak to a 4-peak structure. This effect can be fully understood by modeling the process semi-classically in the independent electron approximation following the simple man's model. The ionization time measurement performed with the attoclock shows that the release time of the first electron is in good agreement with the semi-classical simulation performed on the basis of Sequential Double lonization (SDI), whereas the ionization of the second electron occurs significantly earlier than predicted. This observation suggests that electron correlation and other Non-Sequential Double lonization (NSDI) mechanisms may play an important role also in the case of strong field double ionization by close-to-circularly polarized laser pulses. In collaboration with C. Cirelli and M. Smolarski, Physics Department, ETH Zurich, 8093 Zurich, Switzerland; R. Doerner, Institut fiir Kernphysik, Johann Wolfgang Goethe Universitat, 60438 Frankfurt am Main, Germany; and U. Keller, ETH Zurich.

THE MYSTERIOUS CASE OF THE SOLAR ARGON ABUNDANCE NEAR SUNSPOTS IN FLARES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doschek, G. A.; Warren, H. P.

Recently we discussed an enhancement of the abundance of Ar xiv relative to Ca xiv near a sunspot during a flare, observed in spectra recorded by the Extreme-ultraviolet Imaging Spectrometer (EIS) on the Hinode spacecraft. The observed Ar xiv/Ca xiv ratio yields an argon/calcium abundance ratio seven times greater than expected from the photospheric abundance. Such a large abundance anomaly is unprecedented in the solar atmosphere. We interpreted this result as being due to an inverse first ionization potential (FIP) effect. In the published work, two lines of Ar xiv were observed, and one line was tentatively identified as anmore » Ar xi line. In this paper, we report observing a similar enhancement in a full-CCD EIS flare spectrum in 13 argon lines that lie within the EIS wavelength ranges. The observed lines include two Ar xi lines, four Ar xiii lines, six Ar xiv lines, and one Ar xv line. The enhancement is far less than reported in Doschek et al. but exhibits similar morphology. The argon abundance is close to a photospheric abundance in the enhanced area, and the abundance could be photospheric. This enhancement occurs in association with a sunspot in a small area only a few arcseconds (1″ = about 700 km) in size. There is no enhancement effect observed in the normally high-FIP sulfur and oxygen line ratios relative to lines of low-FIP elements available to EIS. Calculations of path lengths in the strongest enhanced area in Doschek et al. indicate a depletion of low-FIP elements.« less

Elucidating the Chemical Complexity of Organic Aerosol Constituents Measured During the Southeastern Oxidant and Aerosol Study (SOAS)

NASA Astrophysics Data System (ADS)

Yee, L.; Isaacman, G. A.; Spielman, S. R.; Worton, D. R.; Zhang, H.; Kreisberg, N. M.; Wilson, K. R.; Hering, S. V.; Goldstein, A. H.

2013-12-01

Thousands of volatile organic compounds are uniquely created in the atmosphere, many of which undergo chemical transformations that result in more highly-oxidized and often lower vapor pressure species. These species can contribute to secondary organic aerosol, a complex mixture of organic compounds that is still not chemically well-resolved. Organic aerosol collected on filters taken during the Southeastern Oxidant and Aerosol Study (SOAS) constitute hundreds of unique chemical compounds. Some of these include known anthropogenic and biogenic tracers characterized using standardized analytical techniques (e.g. GC-MS, UPLC, LC-MS), but the majority of the chemical diversity has yet to be explored. By employing analytical techniques involving sample derivatization and comprehensive two-dimensional gas chromatography (GC x GC) with high-resolution-time-of-flight mass spectrometry (HR-ToF-MS), we elucidate the chemical complexity of the organic aerosol matrix along the volatility and polarity grids. Further, by utilizing both electron impact (EI) and novel soft vacuum ultraviolet (VUV) ionization mass spectrometry, a greater fraction of the organic mass is fully speciated. The GC x GC-HR-ToF-MS with EI/VUV technique efficiently provides an unprecedented level of speciation for complex ambient samples. We present an extensive chemical characterization and quantification of organic species that goes beyond typical atmospheric tracers in the SOAS samples. We further demonstrate that complex organic mixtures can be chemically deconvoluted by elucidation of chemical formulae, volatility, functionality, and polarity. These parameters provide insight into the sources (anthropogenic vs. biogenic), chemical processes (oxidation pathways), and environmental factors (temperature, humidity), controlling organic aerosol growth in the Southeastern United States.

Spontaneous-Desorption Ionizer for a TOF-MS

NASA Technical Reports Server (NTRS)

Schultz, J. Albert

2006-01-01

A time-of-flight mass spectrometer (TOF-MS) like the one mentioned in the immediately preceding article has been retrofitted with an ionizer based on a surface spontaneous-desorption process. This ionizer includes an electron multiplier in the form of a microchannel plate (MCP). Relative to an ionizer based on a hot-filament electron source, this ionizer offers advantages of less power consumption and greater mechanical ruggedness. The current density and stability characteristics of the electron emission of this ionizer are similar to those of a filament-based ionizer. In tests of various versions of this ionizer in the TOF-MS, electron currents up to 100 nA were registered. Currents of microamperes or more - great enough to satisfy requirements in most TOFMS applications - could be obtained by use of MCPs different from those used in the tests, albeit at the cost of greater bulk. One drawback of this ionizer is that the gain of the MCP decreases as a function of the charge extracted thus far; the total charge that can be extracted over the operational lifetime is about 1 coulomb. An MCP in the ion-detector portion of the TOF-MS is subject to the same limitation.

Correlation-driven charge migration following double ionization and attosecond transient absorption spectroscopy

NASA Astrophysics Data System (ADS)

Hollstein, Maximilian; Santra, Robin; Pfannkuche, Daniela

2017-05-01

We theoretically investigate charge migration following prompt double ionization. Thereby, we extend the concept of correlation-driven charge migration, which was introduced by Cederbaum and coworkers for single ionization [Chem. Phys. Lett. 307, 205 (1999), 10.1016/S0009-2614(99)00508-4], to doubly ionized molecules. This allows us to demonstrate that compared to singly ionized molecules, in multiply ionized molecules, electron dynamics originating from electronic relaxation and correlation are particularly prominent. In addition, we also discuss how these correlation-driven electron dynamics might be evidenced and traced experimentally using attosecond transient absorption spectroscopy. For this purpose, we determine the time-resolved absorption cross section and find that the correlated electron dynamics discussed are reflected in it with exceptionally great detail. Strikingly, we find that features in the cross section can be traced back to electron hole populations and time-dependent partial charges and hence, can be interpreted with surprising ease. By taking advantage of element-specific core-to-valence transitions even atomic spatial resolution can be achieved. Thus, with the theoretical considerations presented, not only do we predict particularly diverse and correlated electron dynamics in molecules to follow prompt multiple ionization but we also identify a promising route towards their experimental investigation.

Two types of fundamental luminescence of ionization-passive electrons and holes in optical dielectrics—Intraband-electron and interband-hole luminescence (theoretical calculation and comparison with experiment)

NASA Astrophysics Data System (ADS)

Vaisburd, D. I.; Kharitonova, S. V.

1997-11-01

A short high-power pulse of ionizing radiation creates a high concentration of nonequilibrium electrons and holes in a dielectric. They quickly lose their energy, generating a multiplicity of secondary quasiparticles: electron—hole pairs, excitons, plasmons, phonons of all types, and others. When the kinetic energy of an electron becomes less that some value EΔ≈(1.3-2)Eg it loses the ability to perform collisional ionization and electron excitations of the dielectric medium. Such an electron is said to be ionization-passive. It relaxes to the bottom of the lower conduction band by emitting phonons. Similarly a hole becomes ionization-passive when it “floats up” above some level EH and loses the ability for Auger ionization of the dielectric medium. It continues to float upward to the ceiling of the upper valance band only by emitting phonons. The concentrations of ionization-passive electrons and holes are larger by several orders of magnitude than those of the active electrons and holes and consequently make of a far larger contribution to many kinetic processes such as luminescence. Intraband and interband quantum transitions make the greatest contribution to the fundamental (independent of impurities and intrinsic defects) electromagnetic radiation of ionization-passive electrons and holes. Consequently the brightest types of purely fundamental luminescence of strongly nonequilibrium electrons and holes are intraband and interband luminescence. These forms of luminescence, discovered relatively recently, carry valuable information on the high-energy states of the electrons in the conduction band and of the holes in the valence band of a dielectric. Experimental investigations of these types of luminescence were made, mainly on alkali halide crystals which were excited by nanoseconal pulses of high-current-density electrons and by two-photon absorption of the ultraviolet harmonics of pulsed laser radiation beams of nanosecond and picosecond duration. The present article gives the results of theoretical calculations of the spectra and other characteristics of intraband electron and interband hole luminescence which are compared with the experimental data.

Electron impact ionization of metastable 2P-state hydrogen atoms in the coplanar geometry

NASA Astrophysics Data System (ADS)

Dhar, S.; Nahar, N.

Triple differential cross sections (TDCS) for the ionization of metastable 2P-state hydrogen atoms by electrons are calculated for various kinematic conditions in the asymmetric coplanar geometry. In this calculation, the final state is described by a multiple-scattering theory for ionization of hydrogen atoms by electrons. Results show qualitative agreement with the available experimental data and those of other theoretical computational results for ionization of hydrogen atoms from ground state, and our first Born results. There is no available other theoretical results and experimental data for ionization of hydrogen atoms from the 2P state. The present study offers a wide scope for the experimental study for ionization of hydrogen atoms from the metastable 2P state.

Observation of two-center interference effects for electron impact ionization of N2

NASA Astrophysics Data System (ADS)

Chaluvadi, Hari; Nur Ozer, Zehra; Dogan, Mevlut; Ning, Chuangang; Colgan, James; Madison, Don

2015-08-01

In 1966, Cohen and Fano (1966 Phys. Rev. 150 30) suggested that one should be able to observe the equivalent of Young’s double slit interference if the double slits were replaced by a diatomic molecule. This suggestion inspired many experimental and theoretical studies searching for double slit interference effects both for photon and particle ionization of diatomic molecules. These effects turned out to be so small for particle ionization that this work proceeded slowly and evidence for interference effects were only found by looking at cross section ratios. Most of the early particle work concentrated on double differential cross sections for heavy particle scattering and the first evidence for two-center interference for electron-impact triple differential cross section (TDCS) did not appear until 2006 for ionization of H2. Subsequent work has now firmly established that two-center interference effects can be seen in the TDCS for electron-impact ionization of H2. However, in spite of several experimental and theoretical studies, similar effects have not been found for electron-impact ionization of N2. Here we report the first evidence for two-center interference for electron-impact ionization of N2.

Electron-impact-ionization dynamics of S F6

NASA Astrophysics Data System (ADS)

Bull, James N.; Lee, Jason W. L.; Vallance, Claire

2017-10-01

A detailed understanding of the dissociative electron ionization dynamics of S F6 is important in the modeling and tuning of dry-etching plasmas used in the semiconductor manufacture industry. This paper reports a crossed-beam electron ionization velocity-map imaging study on the dissociative ionization of cold S F6 molecules, providing complete, unbiased kinetic energy distributions for all significant product ions. Analysis of these distributions suggests that fragmentation following single ionization proceeds via formation of S F5 + or S F3 + ions that then dissociate in a statistical manner through loss of F atoms or F2, until most internal energy has been liberated. Similarly, formation of stable dications is consistent with initial formation of S F4 2 + ions, which then dissociate on a longer time scale. These data allow a comparison between electron ionization and photoionization dynamics, revealing similar dynamical behavior. In parallel with the ion kinetic energy distributions, the velocity-map imaging approach provides a set of partial ionization cross sections for all detected ionic fragments over an electron energy range of 50-100 eV, providing partial cross sections for S2 +, and enables the cross sections for S F4 2 + from S F+ to be resolved.

Supression of laser breakdown by pulsed nonequilibrium ns discharge

NASA Astrophysics Data System (ADS)

Starikovskiy, A. Y.; Semenov, I. E.; Shneider, M. N.

2016-10-01

The avalanche ionization induced by infrared laser pulses was investigated in a pre-ionized argon gas. Pre-ionization was created by a high-voltage pulsed nanosecond discharge developed in the form of a fast ionization wave. Then, behind the front of ionization wave additional avalanche ionization was initiated by the focused Nd-YAG laser pulse. It was shown that the gas pre-ionization inhibits the laser spark generation. It was demonstrated that the suppression of laser spark development in the case of strong gas pre-ionization is because of fast electron energy transfer from the laser beam focal region. The main mechanism of this energy transfer is free electrons diffusion.

Differential cross sections for the electron impact ionization of Ar (3 p) atoms for equal energy final state electrons

NASA Astrophysics Data System (ADS)

Purohit, Ghanshyam; Singh, Prithvi

2017-06-01

The electron-impact ionization of inert gases for asymmetric final state energy sharing conditions has been studied in detail. However, there have been relatively few studies examining equal energy final state electrons. We report in this communication the results of triple differential cross sections (TDCSs) for electron impact ionization of Ar (3 p) for equal energy sharing of the outgoing electrons. We calculate TDCS in the modified distorted wave Born approximation (DWBA) formalism including post collision interaction (PCI) and polarization potential. We compare the results of our calculation with available measurements [Phys. Rev. A 87, 022712 (2013)]. We study the effect of PCI, target polarization on the trends of TDCS for the single ionization of Ar (3 p) targets.

Theoretical Calculations for Electron Impact Ionization of Atoms and Molecules

NASA Astrophysics Data System (ADS)

Amami, Sadek Mohamed Fituri

In the last twenty years, significant progress has been made for the theoretical treatment of electron impact ionization (e,2e) of atoms and molecules and, for some cases, very nice agreement between experiment and theory has been achieved. In particular, excellent agreement between theory and experiment and theory has been achieved for ionization of hydrogen and helium. However, agreement between experiment and theory is not nearly as good for ionization of larger atoms and molecules. In the first part of this dissertation, different theoretical approaches will be employed to study the triply differential cross section (TDCS) for low and intermediate energy electron-impact ionization of Neon and Argon for different orbital states. There is a very recent interest in studying ionization of Laser aligned atoms in order to get a better understanding about electron impact ionization of molecules. In the next part of this dissertation, results will be presented for electron-impact ionization of three laser aligned atoms, Mg, Ca, and Na. The comparison between the theory and experiment showed that our three body distorted wave (3DW) model gave excellent agreement with experiment in the scattering plane but very poor agreement perpendicular to the scattering plane. An explanation for this poor agreement out of the scattering plane has been provided by comparing our theoretical results with those of the time depended close coupling (TDCC) model and this explanation is also provided in this dissertation. Recently, significant attention has been directed towards obtaining a better under-standing of electron-impact ionization of molecules which are significantly more challenging than atoms. In the last part of this dissertation, results will be presented for electron-impact ionization of three different molecules (N2 , H2O, and CH4) which have been studied comprehensively using different theoretical approximations for different types of geometries. The published papers in section two contain a detailed analysis and discussion for each of these topics.

Degradation spectra and ionization yields of electrons in gases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Inokuti, M.; Douthat, D.A.; Rau, A.R.P.

1975-01-01

Progress in the microscopic theory of electron degradation in gases by Platzman, Fano, and co-workers is outlined. The theory consists of (1) the cataloging of all major inelastic-collision cross sections for electrons (including secondary-electron energy distribution in a single ionizing collision) and (2) the evaluation of cumulative consequences of individual electron collisions for the electrons themselves as well as for target molecules. For assessing the data consistency and reliability and extrapolating the data to the unexplored ranges of variables (such as electron energy), a series of plots devised by Platzman are very powerful. Electron degradation spectra were obtained through numericalmore » solution of the Spencer--Fano equation for all electron energies down to the first ionization thresholds for a few examples such as He and Ne. The systematics of the solutions resulted in the recognition of approximate scaling properties of the degradation spectra for different initial electron energies and pointed to new methods of more efficient treatment. Systematics of the ionization yields and their energy dependence on the initial electron energy were also recognized. Finally, the Spencer--Fano equation for the degradation spectra and the Fowler equation for the ionization and other yields are tightly linked with each other by a set of variational principles. (52 references, 7 figures) (DLC)« less

Population kinetics on K alpha lines of partially ionized Cl atoms.

PubMed

Kawamura, Tohru; Nishimura, Hiroaki; Koike, Fumihiro; Ochi, Yoshihiro; Matsui, Ryoji; Miao, Wen Yong; Okihara, Shinichiro; Sakabe, Shuji; Uschmann, Ingo; Förster, Eckhart; Mima, Kunioki

2002-07-01

A population kinetics code was developed to analyze K alpha emission from partially ionized chlorine atoms in hydrocarbon plasmas. Atomic processes are solved under collisional-radiative equilibrium for two-temperature plasmas. It is shown that the fast electrons dominantly contribute to ionize the K-shell bound electrons (i.e., inner-shell ionization) and the cold electrons to the outer-shell bound ones. Ratios of K alpha lines of partially ionized atoms are presented as a function of cold-electron temperature. The model was validated by observation of the K alpha lines from a chlorinated plastic target irradiated with 1 TW Ti:sapphire laser pulses at 1.5 x 10(17) W/cm(2), inferring a plasma temperature of about 100 eV on the target surface.

Electron impact ionization of cycloalkanes, aldehydes, and ketones

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gupta, Dhanoj; Antony, Bobby, E-mail: bka.ism@gmail.com

The theoretical calculations of electron impact total ionization cross section for cycloalkane, aldehyde, and ketone group molecules are undertaken from ionization threshold to 2 keV. The present calculations are based on the spherical complex optical potential formalism and complex scattering potential ionization contribution method. The results of most of the targets studied compare fairly well with the recent measurements, wherever available and the cross sections for many targets are predicted for the first time. The correlation between the peak of ionization cross sections with number of target electrons and target parameters is also reported. It was found that the crossmore » sections at their maximum depend linearly with the number of target electrons and with other target parameters, confirming the consistency of the values reported here.« less

Fragmentation pathways of O-alkyl methylphosphonothionocyanidates in the gas phase: toward unambiguous structural characterization of chemicals in the Chemical Weapons Convention framework.

PubMed

Saeidian, Hamid; Babri, Mehran; Ashrafi, Davood; Sarabadani, Mansour; Naseri, Mohammad Taghi

2013-08-01

The electron-impact (EI) mass spectra of a series of O-alkyl methylphosphonothionocyanidates were studied for Chemical Weapons Convention (CWC) purposes. General EI fragmentation pathways were constructed and discussed, and collision-induced dissociation studies of the major EI ions were performed to confirm proposed fragment structures by analyzing fragment ions of deuterated analogs and by use of density functional theory (DFT) calculations. Thiono-thiolo rearrangement, McLafferty-type rearrangement, and a previously unknown intramolecular electrophilic aromatic substitution reaction were observed and confirmed. The study also focused on differentiation of isomeric compounds. Retention indices for all compounds, and an electrophilicity index for several compounds, are reported and interpreted.

FAST TRACK COMMUNICATION: Attosecond correlation dynamics during electron tunnelling from molecules

NASA Astrophysics Data System (ADS)

Walters, Zachary B.; Smirnova, Olga

2010-08-01

In this communication, we present an analytical theory of strong-field ionization of molecules, which takes into account the rearrangement of multiple interacting electrons during the ionization process. We show that such rearrangement offers an alternative pathway to the ionization of orbitals more deeply bound than the highest occupied molecular orbital. This pathway is not subject to the full exponential suppression characteristic of direct tunnel ionization from the deeper orbitals. The departing electron produces an 'attosecond correlation pulse' which controls the rearrangement during the tunnelling process. The shape and duration of this pulse are determined by the electronic structure of the relevant states, molecular orientation and laser parameters.

Demonstration of self-truncated ionization injection for GeV electron beams

PubMed Central

Mirzaie, M.; Li, S.; Zeng, M.; Hafz, N. A. M.; Chen, M.; Li, G. Y.; Zhu, Q. J.; Liao, H.; Sokollik, T.; Liu, F.; Ma, Y. Y.; Chen, L.M.; Sheng, Z. M.; Zhang, J.

2015-01-01

Ionization-induced injection mechanism was introduced in 2010 to reduce the laser intensity threshold for controllable electron trapping in laser wakefield accelerators (LWFA). However, usually it generates electron beams with continuous energy spectra. Subsequently, a dual-stage target separating the injection and acceleration processes was regarded as essential to achieve narrow energy-spread electron beams by ionization injection. Recently, we numerically proposed a self-truncation scenario of the ionization injection process based upon overshooting of the laser-focusing in plasma which can reduce the electron injection length down to a few hundred micrometers, leading to accelerated beams with extremely low energy-spread in a single-stage. Here, using 100 TW-class laser pulses we report experimental observations of this injection scenario in centimeter-long plasma leading to the generation of narrow energy-spread GeV electron beams, demonstrating its robustness and scalability. Compared with the self-injection and dual-stage schemes, the self-truncated ionization injection generates higher-quality electron beams at lower intensities and densities, and is therefore promising for practical applications. PMID:26423136

Injection and trapping of tunnel-ionized electrons into laser-produced wakes.

PubMed

Pak, A; Marsh, K A; Martins, S F; Lu, W; Mori, W B; Joshi, C

2010-01-15

A method, which utilizes the large difference in ionization potentials between successive ionization states of trace atoms, for injecting electrons into a laser-driven wakefield is presented. Here a mixture of helium and trace amounts of nitrogen gas was used. Electrons from the K shell of nitrogen were tunnel ionized near the peak of the laser pulse and were injected into and trapped by the wake created by electrons from majority helium atoms and the L shell of nitrogen. The spectrum of the accelerated electrons, the threshold intensity at which trapping occurs, the forward transmitted laser spectrum, and the beam divergence are all consistent with this injection process. The experimental measurements are supported by theory and 3D OSIRIS simulations.

Indirect contributions to electron-impact ionization of Li+ (1 s 2 s S31 ) ions: Role of intermediate double-K -vacancy states

NASA Astrophysics Data System (ADS)

Müller, A.; Borovik, A.; Huber, K.; Schippers, S.; Fursa, D. V.; Bray, I.

2018-02-01

Fine details of the cross section for electron-impact ionization of metastable two-electron Li+(1 s 2 s S31) ions are scrutinized by both experiment and theory. Beyond direct knockoff ionization, indirect ionization mechanisms proceeding via formation of intermediate double-K-vacancy (hollow) states either in a Li+ ion or in a neutral lithium atom and subsequent emission of one or two electrons, respectively, can contribute to the net production of Li2 + ions. The partial cross sections for such contributions are less than 4% of the total single-ionization cross section. The characteristic steps, resonances, and interference phenomena in the indirect ionization contribution are measured with an experimental energy spread of less than 0.9 eV and with a statistical relative uncertainty of the order of 1.7%, requiring a level of statistical uncertainty in the total single-ionization cross section of better than 0.05%. The measurements are accompanied by convergent-close-coupling calculations performed on a fine energy grid. Theory and experiment are in remarkable agreement concerning the fine details of the ionization cross section. Comparison with previous R-matrix results is less favorable.

Technology-based functional assessment in early childhood intervention: a pilot study.

PubMed

Khetani, Mary A; McManus, Beth M; Arestad, Kristen; Richardson, Zachary; Charlifue-Smith, Renee; Rosenberg, Cordelia; Rigau, Briana

2018-01-01

Electronic patient-reported outcomes (e-PROs) may provide valid and feasible options for obtaining family input on their child's functioning for care planning and outcome monitoring, but they have not been adopted into early intervention (EI). The purpose of this pilot study was to evaluate the feasibility of implementing technology-based functional assessment into EI practice and to examine child, family, service, and environmental correlates of caregiver-reported child functioning in the home. In a cross-sectional design, eight individual EI providers participated in a 90-min technology-based functional assessment training to recruit participants and a 60-min semi-structured focus group post data collection. Participants completed the Young Children's Participation and Environment Measure (YC-PEM) home section online and Pediatric Evaluation of Disability Inventory Computer Adaptive Test (PEDI-CAT) via iPad. Participants' EI service use data were obtained from administrative records. A total of 37 caregivers of children between 6 and 35 months old (mean age = 19.4, SD = 7.7) enrolled, a rate of 44% (37/84) in 2.5 months. Providers suggested expanding staff training, gathering data during scheduled evaluations, and providing caregivers and providers with access to assessment summaries. Caregivers wanted their child's participation to change in 56% of home activities. Lower caregiver education and higher EI intensity were related to less child involvement in home activities. Implementing technology-based functional assessment is feasible with modifications, and these data can be useful for highlighting child, family, and EI service correlates of caregiver-reported child functioning that merit further study. Feasibility results informed protocol modifications related to EI provider training, timing of data collection, and management of EI service use data extraction, as preparation for a subsequent scale-up study that is underway.

Renormalization shielding effect on the Wannier-ridge mode for double-electron continua in partially ionized dense hydrogen plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Myoung-Jae; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr; Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, 110 8th Street, Troy, New York 12180-3590

2016-01-15

The influence of renormalization shielding on the Wannier threshold law for the double-electron escapes by the electron-impact ionization is investigated in partially ionized dense plasmas. The renormalized electron charge and Wannier exponent are obtained by considering the equation of motion in the Wannier-ridge including the renormalization shielding effect. It is found that the renormalization shielding effect reduces the magnitude of effective electron charge, especially, within the Bohr radius in partially ionized dense plasmas. The maximum position of the renormalized electron charge approaches to the center of the target atom with an increase of the renormalization parameter. In addition, the Wanniermore » exponent increases with an increase of the renormalization parameter. The variations of the renormalized electron charge and Wannier exponent due to the renormalization shielding effect are also discussed.« less

Effect of alprazolam on rat serum metabolic profiles.

PubMed

Li, Yan; Lin, Gaotong; Chen, Bingbao; Zhang, Jing; Wang, Lingtian; Li, Zixia; Cao, Yungang; Wen, Congcong; Yang, Xuezhi; Cao, Gaozhong; Wang, Xianqin; Cao, Guoquan

2017-09-01

We developed a serum metabolomic method by gas chromatography-mass spectrometry (GC-MS) to evaluate the effect of alprazolam in rats. The GC-MS with HP-5MS (0.25 μm × 30 m × 0.25 mm) mass was conducted in electron impact ionization (EI) mode with electron energy of 70 eV, and full-scan mode with m/z 50-550. The rats were randomly divided to four groups, three alprazolam-treated groups and a control group. The alprazolam-treated rats were given 5, 10 or 20 mg/kg (low, medium, high) of alprazolam by intragastric administration each day for 14 days. The serum samples were corrected on the seventh and fourteenth days for metabolomic study. The blood was collected for biochemical tests. Then liver and brain were rapidly isolated and immersed for pathological study. Compared with the control group, on the seventh and fourteen days, the levels of d-glucose, 9,12-octadecadienoic acid, butanoic acid, l-proline, d-mannose and malic acid had changed, indicating that alprazolam induced energy metabolism, fatty acid metabolism and amino acid metabolism perturbations in rats. There was no significant difference for alanine aminotransferase, aspartate aminotransferase, alkaline phosphatase, urea and uric acid between controls and alprazolam groups. According to the pathological results, alprazolam is not hepatotoxic. Metabolomics could distinguish different alprazolam doses in rats. Copyright © 2017 John Wiley & Sons, Ltd.

Capillary atmospheric pressure electron capture ionization (cAPECI): a highly efficient ionization method for nitroaromatic compounds.

PubMed

Derpmann, Valerie; Mueller, David; Bejan, Iustinian; Sonderfeld, Hannah; Wilberscheid, Sonja; Koppmann, Ralf; Brockmann, Klaus J; Benter, Thorsten

2014-03-01

We report on a novel method for atmospheric pressure ionization of compounds with elevated electron affinity (e.g., nitroaromatic compounds) or gas phase acidity (e.g., phenols), respectively. The method is based on the generation of thermal electrons by the photo-electric effect, followed by electron capture of oxygen when air is the gas matrix yielding O2(-) or of the analyte directly with nitrogen as matrix. Charge transfer or proton abstraction by O2(-) leads to the ionization of the analytes. The interaction of UV-light with metals is a clean method for the generation of thermal electrons at atmospheric pressure. Furthermore, only negative ions are generated and neutral radical formation is minimized, in contrast to discharge- or dopant assisted methods. Ionization takes place inside the transfer capillary of the mass spectrometer leading to comparably short transfer times of ions to the high vacuum region of the mass spectrometer. This strongly reduces ion transformation processes, resulting in mass spectra that more closely relate to the neutral analyte distribution. cAPECI is thus a soft and selective ionization method with detection limits in the pptV range. In comparison to standard ionization methods (e.g., PTR), cAPECI is superior with respect to both selectivity and achievable detection limits. cAPECI demonstrates to be a promising ionization method for applications in relevant fields as, for example, explosives detection and atmospheric chemistry.

Ionization of Interstellar Hydrogen Beyond the Termination Shock

NASA Astrophysics Data System (ADS)

Gruntman, Mike

2016-11-01

Models of solar wind interaction with the surrounding interstellar medium usually disregard ionization of interstellar hydrogen atoms beyond the solar wind termination shock. If and when included, the effects of ionization in the heliospheric interface region are often obscured by complexities of the interaction. This work assesses the importance of interstellar hydrogen ionization in the heliosheath. Photoionization could be accounted for in a straightforward way. In contrast, electron impact ionization is largely unknown because of poorly understood energy transfer to electrons at the termination shock and beyond. We first estimate the effect of photoionization and then use it as a yardstick to assess the role of electron impact ionization. The physical estimates show that ionization of interstellar hydrogen may lead to significant mass loading in the inner heliosheath which would slow down plasma flowing toward the heliotail and deplete populations of nonthermal protons, with the corresponding effect on heliospheric fluxes of energetic neutral atoms.

TIS - Beyond Electronic Mail.

DTIC Science & Technology

1979-01-01

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Biologically Inspired Radio-Frequency (RF) Direction Finding

DTIC Science & Technology

2015-12-15

estimation of an electromagnetic signal is important for many commercial and military applications including electronic warfare [1] and mobile...without scatter with scatter 1 Incident Angle (degree) 0 30 60 90 R ec ei ve d Pa tte rn (d B ) -62 -60 -58 -56 -54 -52 -50 port1 without scatter...150 without scatter with scatter 2 Incident Angle (degree) 0 30 60 90 R ec ei ve d Pa tte rn (d B ) -52 -50 -48 -46 -44 -42 port1 without scatter

A selective and sensitive method for quantitation of lysergic acid diethylamide (LSD) in whole blood by gas chromatography-ion trap tandem mass spectrometry.

PubMed

Libong, Danielle; Bouchonnet, Stéphane; Ricordel, Ivan

2003-01-01

A gas chromatography-ion trap tandem mass spectrometry (GC-ion trap MS-MS) method for detection and quantitation of LSD in whole blood is presented. The sample preparation process, including a solid-phase extraction step with Bond Elut cartridges, was performed with 2 mL of whole blood. Eight microliters of the purified extract was injected with a cold on-column injection method. Positive chemical ionization was performed using acetonitrile as reagent gas; LSD was detected in the MS-MS mode. The chromatograms obtained from blood extracts showed the great selectivity of the method. GC-MS quantitation was performed using lysergic acid methylpropylamide as the internal standard. The response of the MS was linear for concentrations ranging from 0.02 ng/mL (detection threshold) to 10.0 ng/mL. Several parameters such as the choice of the capillary column, the choice of the internal standard and that of the ionization mode (positive CI vs. EI) were rationalized. Decomposition pathways under both ionization modes were studied. Within-day and between-day stability were evaluated.

Photoelectron imaging of doped helium nanodroplets

NASA Astrophysics Data System (ADS)

Neumark, Daniel

2008-03-01

Photoelectron images of helium nanodroplets doped with Kr and Ne atoms are reported. The images and resulting photoelectron spectra were obtained using tunable synchrotron radiation to ionize the droplets. Droplets were excited at 21.6 eV, corresponding to a strong droplet electronic excitation. The rare gas dopant is then ionized via a Penning excitation transfer process. The electron kinetic energy distributions reflect complex ionization and electron escape dynamics.

Electron emission from transfer ionization reaction in 30 keV amu‑1 He 2+ on Ar collision

NASA Astrophysics Data System (ADS)

Amaya-Tapia, A.; Antillón, A.; Estrada, C. D.

2018-06-01

A model is presented that describes the transfer ionization process in H{e}2++Ar collision at a projectile energy of 30 keV amu‑1. It is based on a semiclassical independent-particle close-coupling method that yields a reasonable agreement between calculated and experimental values of the total single-ionization and single-capture cross sections. It is found that the transfer ionization reaction is predominantly carried out through simultaneous capture and ionization, rather than by sequential processes. The transfer-ionization differential cross section in energy that is obtained satisfactorily reproduces the global behavior of the experimental data. Additionally, the probabilities of capture and ionization as function of the impact parameter for H{e}2++A{r}+ and H{e}++A{r}+ collisions are calculated, as far as we know, for the first time. The results suggest that the model captures essential elements that describe the two-electron transfer ionization process and could be applied to systems and processes of two electrons.

Attosecond Electron Correlation Dynamics in Double Ionization of Benzene Probed with Two-Electron Angular Streaking

NASA Astrophysics Data System (ADS)

Winney, Alexander H.; Lee, Suk Kyoung; Lin, Yun Fei; Liao, Qing; Adhikari, Pradip; Basnayake, Gihan; Schlegel, H. Bernhard; Li, Wen

2017-09-01

With a novel three-dimensional electron-electron coincidence imaging technique and two-electron angular streaking method, we show that the emission time delay between two electrons can be measured from tens of attoseconds to more than 1 fs. Surprisingly, in benzene, the double ionization rate decays as the time delay between the first and second electron emission increases during the first 500 as. This is further supported by the decay of the Coulomb repulsion in the direction perpendicular to the laser polarization. This result reveals that laser-induced electron correlation plays a major role in strong field double ionization of benzene driven by a nearly circularly polarized field.

UV-visible degradation of boscalid--structural characterization of photoproducts and potential toxicity using in silico tests.

PubMed

Lassalle, Yannick; Kinani, Aziz; Rifai, Ahmad; Souissi, Yasmine; Clavaguera, Carine; Bourcier, Sophie; Jaber, Farouk; Bouchonnet, Stéphane

2014-05-30

Boscalid is a carboximide fungicide mainly used for vineyard protection as well as for tomato, apple, blueberry and various ornamental cultivations. The structural elucidation of by-products arising from the UV-visible photodegradation of boscalid has been investigated by gas chromatography/multi-stage mass spectrometry (GC/MS(n) ) and liquid chromatography/tandem mass spectrometry (LC/MS/MS) couplings. The potential toxicities of transformation products were estimated by in silico calculations. Aqueous solutions of boscalid were irradiated up to 150 min in a self-made reactor equipped with a mercury lamp. Analyses were carried out using a gas chromatograph coupled with an ion trap mass spectrometer operated in both electron ionization (EI) and chemical ionization (CI) modes and a liquid chromatograph coupled with a quadrupole time-of-flight (Q-TOF) mass spectrometer operated in electrospray ionization (ESI) mode. Multiple-stage collision-induced dissociation (CID) experiments were performed to establish dissociation pathways of ions. The QSAR (Quantitative Structure-Activity Relationship) T.E.S.T. program allowed the estimation of the toxicities of the by-products. Eight photoproducts were investigated. Chemical structures were proposed not only on the interpretation of multi-stage CID experiments, but also on kinetics data. These structures led us to suggest photodegradation pathways. Three photoproducts were finally detected in Lebanon in a real sample of grape leaves for which routine analysis had led to the detection of boscalid at 4 mg kg(-1). With one exception, the structures proposed for the photoproducts on the basis of mass spectra interpretation have not been reported in previous studies. In silico toxicity predictions showed that two photoproducts are potentially more toxic than the parent compound considering oral rat LD50 while five photoproducts may induce mutagenic toxicity. With the exception of one compound, all photoproducts may potentially induce developmental toxicity. Copyright © 2014 John Wiley & Sons, Ltd.

Next generation offline approaches to trace organic compound speciation: Approaching comprehensive speciation with soft ionization and very high resolution tandem mass spectrometry

NASA Astrophysics Data System (ADS)

Khare, P.; Marcotte, A.; Sheu, R.; Ditto, J.; Gentner, D. R.

2017-12-01

Intermediate- and semi-volatile organic compounds (IVOCs and SVOCs) have high secondary organic aerosol (SOA) yields, as well as significant ozone formation potentials. Yet, their emission sources and oxidation pathways remain largely understudied due to limitations in current analytical capabilities. Online mass spectrometers are able to collect real time data but their limited mass resolving power renders molecular level characterization of IVOCs and SVOCs from the unresolved complex mixture unfeasible. With proper sampling techniques and powerful analytical instrumentation, our offline tandem mass spectrometry (i.e. MS×MS) techniques provide molecular-level and structural identification over wide polarity and volatility ranges. We have designed a novel analytical system for offline analysis of gas-phase SOA precursors collected on custom-made multi-bed adsorbent tubes. Samples are desorbed into helium via a gradual temperature ramp and sample flow is split equally for direct-MS×MS analysis and separation via gas chromatography (GC). The effluent from GC separation is split again for analysis via atmospheric pressure chemical ionization quadrupole time-of-flight mass spectrometry (APCI-Q×TOF) and traditional electron ionization mass spectrometry (EI-MS). The compounds for direct-MS×MS analysis are delivered via a transfer line maintained at 70ºC directly to APCI-Q×TOF, thus preserving the molecular integrity of thermally-labile, or other highly-reactive, organic compounds. Both our GC-MS×MS and direct-MS×MS analyses report high accuracy parent ion masses as well as information on molecular structure via MS×MS, which together increase the resolution of unidentified complex mixtures. We demonstrate instrument performance and present preliminary results from urban atmospheric samples collected from New York City with a wide range of compounds including highly-functionalized organic compounds previously understudied in outdoor air. Our work offers new insights into emerging emission sources in urban environments that can have a major impact on public health and also improves understanding of anthropogenic SOA precursor emissions.

Exploration of the Dissociative Recombination following DNA ionization to DNA+ due to ionizing radiation

NASA Astrophysics Data System (ADS)

Strom, Richard A.; Zimmerly, Andrew T.; Andrianarijaona, Vola M.

2014-05-01

It is known that ionizing radiation generates low-energy secondary electrons, which may interact with the surrounding area, including biomolecules, such as triggering DNA single strand and double strand breaks as demonstrated by Sanche and coworkers (Radiat. Res. 157, 227(2002)). The bio-effects of low-energy electrons are currently a topic of high interest. Most of the studies are dedicated to dissociative electron attachments; however, the area is still mostly unexplored and still not well understood. We are computationally investigating the effect of ionizing radiation on DNA, such as its ionization to DNA+. More specifically, we are exploring the possibility of the dissociative recombination of the temporary DNA+ with one of the low-energy secondary electrons, produced by the ionizing radiation, to be another process of DNA strand breaks. Our preliminary results, which are performed with the binaries of ORCA, will be presented. Authors wish to give special thanks to Pacific Union College Student Senate in Angwin, California, for their financial support.

Electron-Impact Ionization Cross Section Database

National Institute of Standards and Technology Data Gateway

SRD 107 Electron-Impact Ionization Cross Section Database (Web, free access)   This is a database primarily of total ionization cross sections of molecules by electron impact. The database also includes cross sections for a small number of atoms and energy distributions of ejected electrons for H, He, and H2. The cross sections were calculated using the Binary-Encounter-Bethe (BEB) model, which combines the Mott cross section with the high-incident energy behavior of the Bethe cross section. Selected experimental data are included.

High-Sensitivity Ionization Trace-Species Detector

NASA Technical Reports Server (NTRS)

Bernius, Mark T.; Chutjian, Ara

1990-01-01

Features include high ion-extraction efficiency, compactness, and light weight. Improved version of previous ionization detector features in-line geometry that enables extraction of almost every ion from region of formation. Focusing electrodes arranged and shaped into compact system of space-charge-limited reversal electron optics and ion-extraction optics. Provides controllability of ionizing electron energies, greater efficiency of ionization, and nearly 100 percent ion-collection efficiency.

A highly sensitive electron spectrometer for crossed-beam collisional ionization: A retarding-type magnetic bottle analyzer and its application to collision-energy resolved Penning ionization electron spectroscopy

NASA Astrophysics Data System (ADS)

Yamakita, Yoshihiro; Tanaka, Hideyasu; Maruyama, Ryo; Yamakado, Hideo; Misaizu, Fuminori; Ohno, Koichi

2000-08-01

A highly sensitive electron energy analyzer which utilizes a "magnetic bottle" combined with a retarding electrostatic field has been developed for Penning ionization electron spectroscopy. A beam of metastable rare-gas atoms is crossed with a continuous supersonic sample beam in the source region of the analyzer. The emitted electrons are collected by an inhomogeneous magnetic field (the magnetic bottle effect) with a high efficiency of nearly 4π solid angle, which is more than 103 times higher than that of a conventional hemispherical analyzer. The kinetic energy of electrons is analyzed by scanning the retarding field in a flight tube of the analyzer in the presence of a weak magnetic field. The velocity of the metastable atoms can also be resolved by a time-of-flight method in the present instrument. Examples of Penning ionization electron energy spectra as a function of collision energy are presented for Ar and N2 with metastable He*(2 3S) atoms. This instrument has opened the possibility for extensive studies of Penning ionization electron spectroscopy for low-density species, such as clusters, ions, electronically excited species, unstable or transient species, and large molecules with low volatility.

Reduction of the ionization energy for 1s-electrons in dense aluminum plasmas

NASA Astrophysics Data System (ADS)

Lin, C.; Reinholz, H.; Röpke, G.

2017-02-01

The properties of a bound multi-electron system immersed in a plasma environment are strongly modified by the surrounding plasma. In particular, the modification of the ionization energy is described by the electronic self-energy within the framework of the quantum statistical theory. We present the energy shift of the eigenstates and the lowering of the continuum edge of free electrons in a plasma. The reduction of the ionization potential is determined by their difference. This ionization potential depression for the 1s-levels in dense aluminum plasmas is calculated. Comparisons with other theories and the experimental data are shown for aluminum plasma at solid density 2.7 g/cm3.

Ionizing radiation changes the electronic properties of melanin and enhances the growth of melanized fungi.

PubMed

Dadachova, Ekaterina; Bryan, Ruth A; Huang, Xianchun; Moadel, Tiffany; Schweitzer, Andrew D; Aisen, Philip; Nosanchuk, Joshua D; Casadevall, Arturo

2007-05-23

Melanin pigments are ubiquitous in nature. Melanized microorganisms are often the dominating species in certain extreme environments, such as soils contaminated with radionuclides, suggesting that the presence of melanin is beneficial in their life cycle. We hypothesized that ionizing radiation could change the electronic properties of melanin and might enhance the growth of melanized microorganisms. Ionizing irradiation changed the electron spin resonance (ESR) signal of melanin, consistent with changes in electronic structure. Irradiated melanin manifested a 4-fold increase in its capacity to reduce NADH relative to non-irradiated melanin. HPLC analysis of melanin from fungi grown on different substrates revealed chemical complexity, dependence of melanin composition on the growth substrate and possible influence of melanin composition on its interaction with ionizing radiation. XTT/MTT assays showed increased metabolic activity of melanized C. neoformans cells relative to non-melanized cells, and exposure to ionizing radiation enhanced the electron-transfer properties of melanin in melanized cells. Melanized Wangiella dermatitidis and Cryptococcus neoformans cells exposed to ionizing radiation approximately 500 times higher than background grew significantly faster as indicated by higher CFUs, more dry weight biomass and 3-fold greater incorporation of (14)C-acetate than non-irradiated melanized cells or irradiated albino mutants. In addition, radiation enhanced the growth of melanized Cladosporium sphaerospermum cells under limited nutrients conditions. Exposure of melanin to ionizing radiation, and possibly other forms of electromagnetic radiation, changes its electronic properties. Melanized fungal cells manifested increased growth relative to non-melanized cells after exposure to ionizing radiation, raising intriguing questions about a potential role for melanin in energy capture and utilization.

Relativistic runaway ionization fronts.

PubMed

Luque, A

2014-01-31

We investigate the first example of self-consistent impact ionization fronts propagating at relativistic speeds and involving interacting, high-energy electrons. These fronts, which we name relativistic runaway ionization fronts, show remarkable features such as a bulk speed within less than one percent of the speed of light and the stochastic selection of high-energy electrons for further acceleration, which leads to a power-law distribution of particle energies. A simplified model explains this selection in terms of the overrun of Coulomb-scattered electrons. Appearing as the electromagnetic interaction between electrons saturates the exponential growth of a relativistic runaway electron avalanche, relativistic runaway ionization fronts may occur in conjunction with terrestrial gamma-ray flashes and thus explain recent observations of long, power-law tails in the terrestrial gamma-ray flash energy spectrum.

Electron Impact Ionization: A New Parameterization for 100 eV to 1 MeV Electrons

NASA Technical Reports Server (NTRS)

Fang, Xiaohua; Randall, Cora E.; Lummerzheim, Dirk; Solomon, Stanley C.; Mills, Michael J.; Marsh, Daniel; Jackman, Charles H.; Wang, Wenbin; Lu, Gang

2008-01-01

Low, medium and high energy electrons can penetrate to the thermosphere (90-400 km; 55-240 miles) and mesosphere (50-90 km; 30-55 miles). These precipitating electrons ionize that region of the atmosphere, creating positively charged atoms and molecules and knocking off other negatively charged electrons. The precipitating electrons also create nitrogen-containing compounds along with other constituents. Since the electron precipitation amounts change within minutes, it is necessary to have a rapid method of computing the ionization and production of nitrogen-containing compounds for inclusion in computationally-demanding global models. A new methodology has been developed, which has parameterized a more detailed model computation of the ionizing impact of precipitating electrons over the very large range of 100 eV up to 1,000,000 eV. This new parameterization method is more accurate than a previous parameterization scheme, when compared with the more detailed model computation. Global models at the National Center for Atmospheric Research will use this new parameterization method in the near future.

Electron-electron correlation in two-photon double ionization of He-like ions

NASA Astrophysics Data System (ADS)

Hu, S. X.

2018-01-01

Electron correlation plays a crucial role in quantum many-body physics ranging from molecular bonding and strong-field-induced multielectron ionization, to superconducting in materials. Understanding the dynamic electron correlation in the photoionization of relatively simple quantum three-body systems, such as He and He-like ions, is an important step toward manipulating complex systems through photoinduced processes. Here we have performed ab initio investigations of two-photon double ionization (TPDI) of He and He-like ions (L i+,B e2 + , and C4 +) exposed to intense attosecond x-ray pulses. Results from such fully correlated quantum calculations show weaker and weaker electron correlation effects in TPDI spectra as the ionic charge increases, which is opposite to the intuition that the absolute increase of correlation in the ground state should lead to more equal energy sharing in photoionization. These findings indicate that the final-state electron-electron correlation ultimately determines the energy sharing of the two ionized electrons in TPDI.

High-quality electron beams from beam-driven plasma accelerators by wakefield-induced ionization injection.

PubMed

Martinez de la Ossa, A; Grebenyuk, J; Mehrling, T; Schaper, L; Osterhoff, J

2013-12-13

We propose a new and simple strategy for controlled ionization-induced trapping of electrons in a beam-driven plasma accelerator. The presented method directly exploits electric wakefields to ionize electrons from a dopant gas and capture them into a well-defined volume of the accelerating and focusing wake phase, leading to high-quality witness bunches. This injection principle is explained by example of three-dimensional particle-in-cell calculations using the code OSIRIS. In these simulations a high-current-density electron-beam driver excites plasma waves in the blowout regime inside a fully ionized hydrogen plasma of density 5×10(17)cm-3. Within an embedded 100  μm long plasma column contaminated with neutral helium gas, the wakefields trigger ionization, trapping of a defined fraction of the released electrons, and subsequent acceleration. The hereby generated electron beam features a 1.5 kA peak current, 1.5  μm transverse normalized emittance, an uncorrelated energy spread of 0.3% on a GeV-energy scale, and few femtosecond bunch length.

Threshold law for electron-atom impact ionization

NASA Technical Reports Server (NTRS)

Temkin, A.

1982-01-01

A derivation of the explicit form of the threshold law for electron impact ionization of atoms is presented, based on the Coulomb-dipole theory. The important generalization is made of using a dipole function whose moment is the dipole moment formed by an inner electron and the nucleus. The result is a modulated quasi-linear law for the yield of positive ions which applies to positron-atom impact ionization.

Basic Mechanisms of Radiation Effects in Electronic Materials and Devices

DTIC Science & Technology

1987-09-01

power as function of particle energy for electrons and protons Incident on silic,,n...8217-Mev 0000 Neutrons0 0 Fluenoe n/oma e 1-MeV equivalent fluenos n/orm DlSlLAOUMllW Ionizing radltlon O Stopping power (linear energy MeV/(g/om...from the interaction of radiation energy that goes Into ionization Is given by the stop- with electronic materials are Ionization (primarily ping power

Production of low kinetic energy electrons and energetic ion pairs by Intermolecular Coulombic Decay.

PubMed

Hergenhahn, Uwe

2012-12-01

The paper gives an introduction into Interatomic and Intermolecular Coulombic Decay (ICD). ICD is an autoionization process, which contrary to Auger decay involves neighbouring sites of the initial vacancy as an integral part of the decay transition. As a result of ICD, slow electrons are produced which generally are known to be active in radiation damage. The author summarizes the properties of ICD and reviews a number of important experiments performed in recent years. Intermolecular Coulombic Decay can generally take place in weakly bonded aggregates in the presence of ionizing particles or ionizing radiation. Examples collected here mostly use soft X-rays produced by synchrotron radiation to ionize, and use rare-gas clusters, water clusters or solutes in a liquid jet to observe ICD after irradiation. Intermolecular Coulombic Decay is initiated by single ionization into an excited state. The subsequent relaxation proceeds via an ultra-fast energy transfer to a neighbouring site, where a second ionization occurs. Secondary electrons from ICD have clearly been identified in numerous systems. ICD can take place after primary ionization, as the second step of a decay cascade which also involves Auger decay, or after resonant excitation with an energy which exceeds the ionization potential of the system. ICD is expected to play a role whenever particles or radiation with photon energies above the ionization energies for inner valence electrons are present in weakly bonded matter, e.g., biological tissue. The process produces at the same time a slow electron and two charged atomic or molecular fragments, which will lead to structural changes around the ionized site.

Dissociative-ionization cross sections for 12-keV-electron impact on CO{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhatt, Pragya; Singh, Raj; Yadav, Namita

The dissociative ionization of a CO{sub 2} molecule is studied at an electron energy of 12 keV using the multiple ion coincidence imaging technique. The absolute partial ionization cross sections and the precursor-specific absolute partial ionization cross sections of resulting fragment ions are obtained and reported. It is found that {approx}75% of single ionization, 22% of double ionization, and {approx}2% of triple ionization of the parent molecule contribute to the total fragment ion yield; quadruple ionization of CO{sub 2} is found to make a negligibly small contribution. Furthermore, the absolute partial ionization cross sections for ion-pair and ion-triple formation aremore » measured for nine dissociative ionization channels of up to a quadruply ionized CO{sub 2} molecule. In addition, the branching ratios for single-ion, ion-pair, and ion-triple formation are also determined.« less

Single electron dynamics in a Hall thruster electromagnetic field profile

NASA Astrophysics Data System (ADS)

Marini, Samuel; Pakter, Renato

2017-05-01

In this work, the single electron dynamics in a simplified three dimensional Hall thruster model is studied. Using Hamiltonian formalism and the concept of limiting curves, one is able to determine confinement conditions for the electron in the acceleration channel. It is shown that as a given parameter of the electromagnetic field is changed, the particle trajectory may transit from regular to chaotic without affecting the confinement, which allows one to make a detailed analysis of the role played by the chaos. The ionization volume is also computed, which measures the probability of an electron to ionize background gas atoms. It is found that there is a great correlation between chaos and increased effective ionization volume. This indicates that a complex dynamical behavior may improve the device efficiency by augmenting the ionization capability of each electron, requiring an overall lower electron current.

Modeling of Microplasmas with Nano-Engineered Electrodes

NASA Astrophysics Data System (ADS)

Macheret, Sergey; Tholeti, Siva Shashank; Alexeenko, Alina

2015-09-01

Microplasmas can potentially be used as unique tunable dielectrics for reconfigurable radio-frequency systems, if electron densities of 1010-1012 cm-3 can be sustained in cavities smaller than 100 micron. However, for low loss tangent, gas pressures below 10 mTorr would be required, whereas the physics of electron impact ionization dictates the pd scaling so that microplasmas must operate at high gas pressures, hundreds of Torr, and also high voltages. We analyze a new principle of plasma generation that goes well beyond the pd scaling by eliminating electron impact ionization. In the new concept, electrons are generated at the cathode by field emission from nanotubes, and ions are independently produced in field ionization at atomically-sharp tips on the anode. The electrons and ions then move in the opposite directions, mix, and create a plasma. The low pressure results in collisionless motion with no electron-impact ionization. One-dimensional PIC/MCC calculations show that emitters such as carbon nanotubes placed sparsely on the cathode, combined with field ionization nanorods at the anode, can indeed ensure steady-state electron densities of up to 1012 cm-3 at gas pressure lower than 10 mTorr with only 50-100 Volts applied cross a 40-50 μm gap.

Ionization rate from the electron precipitation during August 2011 storm

NASA Astrophysics Data System (ADS)

Huang, Y.; Huang, C. Y.; Su, Y.

2013-12-01

We apply a parameterization by Fang et al. [2010] (Fang2010) to the complex energy spectra measured by DMSP F16 satellites to calculate the ionization rate from electron precipitation during a moderate storm on August 6th, 2011. The DMSP electron flux measurements show that there is clear enhancement of electron fluxes in the polar cap. The mean energy in the polar cap is mostly above 100 eV, while the mean energy of auroral zone is above 1 keV. F16 also captures a strong Poynting flux enhancement in the polar cap. The electron impact ionization rates using thermospheric densities and temperatures from NRLMSISE-00, TIE-GCM and GITM show clear enhancement at F-region altitudes in the polar cap region due to the low-energy electrons precipitated. Using the default empirical formulations of electron impact ionization in GCMs, TIE-GCM and GITM do not capture the F-region ionization shown in the results of Fang2010 parameterization. Fang, X, C. E. Randall, D. Lummerzheim, W. Wang, G. Lu, S. C. Solomon, and R. A. Frahm (2010), Geophys. Res. Lett., 37, L22106, doi:10.1029/2010GL045406.

Atmospheric Gaseous Plasma with Large Dimensions

NASA Astrophysics Data System (ADS)

Korenev, Sergey

2012-10-01

The forming of atmospheric plasma with large dimensions using electrical discharge typically uses the Dielectric Barrier Discharge (DBD). The study of atmospheric DBD was shown some problems related to homogeneous volume plasma. The volume of this plasma determines by cross section and gas gap between electrode and dielectric. The using of electron beam for volume ionization of air molecules by CW relativistic electron beams was shown the high efficiency of this process [1, 2]. The main advantage of this approach consists in the ionization of gas molecules by electrons in longitudinal direction determines by their kinetic energy. A novel method for forming of atmospheric homogeneous plasma with large volume dimensions using ionization of gas molecules by pulsed non-relativistic electron beams is presented in the paper. The results of computer modeling for delivered doses of electron beams in gases and ionization are discussed. The structure of experimental bench with plasma diagnostics is considered. The preliminary results of forming atmospheric plasma with ionization gas molecules by pulsed nanosecond non-relativistic electron beam are given. The analysis of potential applications for atmospheric volume plasma is presented. Reference: [1] S. Korenev. ``The ionization of air by scanning relativistic high power CW electron beam,'' 2002 IEEE International Conference on Plasma Science. May 2002, Alberta, Canada. [2] S. Korenev, I. Korenev. ``The propagation of high power CW scanning electron beam in air.'' BEAMS 2002: 14th International Conference on High-Power Particle Beams, Albuquerque, New Mexico (USA), June 2002, AIP Conference Proceedings Vol. 650(1), pp. 373-376. December 17.

Proportional counter device for detecting electronegative species in an air sample

DOEpatents

Allman, Steve L.; Chen, Fang C.; Chen, Chung-Hsuan

1994-01-01

Apparatus for detecting an electronegative species comprises an analysis chamber, an inlet communicating with the analysis chamber for admitting a sample containing the electronegative species and an ionizable component, a radioactive source within the analysis chamber for emitting radioactive energy for ionizing a component of the sample, a proportional electron detector within the analysis chamber for detecting electrons emitted from the ionized component, and a circuit for measuring the electrons and determining the presence of the electronegative species by detecting a reduction in the number of available electrons due to capture of electrons by the electronegative species.

Proportional counter device for detecting electronegative species in an air sample

DOEpatents

Allman, S.L.; Chen, F.C.; Chen, C.H.

1994-03-08

Apparatus for detecting an electronegative species comprises an analysis chamber, an inlet communicating with the analysis chamber for admitting a sample containing the electronegative species and an ionizable component, a radioactive source within the analysis chamber for emitting radioactive energy for ionizing a component of the sample, a proportional electron detector within the analysis chamber for detecting electrons emitted from the ionized component, and a circuit for measuring the electrons and determining the presence of the electronegative species by detecting a reduction in the number of available electrons due to capture of electrons by the electronegative species. 2 figures.

Fundamental mechanisms of laser damage of dielectric crystals by ultrashort pulse: ionization dynamics for the Keldysh model

NASA Astrophysics Data System (ADS)

Gruzdev, Vitaly

2014-12-01

Laser-induced ionization is a major process that initiates and drives the initial stages of laser-induced damage (LID) of high-quality transparent solids. The ionization and its contribution to LID are characterized in terms of the time-dependent ionization rate and conduction-band electron density. Considering femtosecond pulses of various durations (from 35 to 706 fs) and variable peak irradiances (from 0.01 to 60 TW/cm2), we use a single-rate equation to simulate time variations of conduction-band electron density and rates of the photoionization and impact ionization. The photoionization rate is evaluated with the Keldysh equation. At low irradiance, the electron density and total ionization rate demonstrate power scaling characteristic of multiphoton ionization. With the increase of irradiance, there is observed a saturation of the photoionization rate due to photoionization suppression by the Keldysh-type singularity during the increase in the number of simultaneously absorbed photons by 1. A striking result is that the saturation is followed by a stepwise transition from the ionization regime which is completely dominated by the photoionization to a regime totally dominated by the impact ionization. The transition results in the increase of the electron density by a few orders of magnitude induced by a variation of peak laser irradiance by about 15% to 20%. The physical effects that are involved are discussed.

Cross sections for ionization of tetrahydrofuran by protons at energies between 300 and 3000 keV

NASA Astrophysics Data System (ADS)

Wang, Mingjie; Rudek, Benedikt; Bennett, Daniel; de Vera, Pablo; Bug, Marion; Buhr, Ticia; Baek, Woon Yong; Hilgers, Gerhard; Rabus, Hans

2016-05-01

Double-differential cross sections for ionization of tetrahydrofuran by protons with energies from 300 to 3000 keV were measured at the Physikalisch-Technische Bundesanstalt ion accelerator facility. The electrons emitted at angles between 15∘ and 150∘ relative to the ion-beam direction were detected with an electrostatic hemispherical electron spectrometer. Single-differential and total ionization cross sections have been derived by integration. The experimental results are compared to the semiempirical Hansen-Kocbach-Stolterfoht model as well as to the recently reported method based on the dielectric formalism. The comparison to the latter showed good agreement with experimental data in a broad range of emission angles and energies of secondary electrons. The scaling property of ionization cross sections for tetrahydrofuran was also investigated. Compared to molecules of different size, the ionization cross sections of tetrahydrofuran were found to scale with the number of valence electrons at large impact parameters.

Electron Impact Ionization and Dissociative Ionization of C2H2

NASA Technical Reports Server (NTRS)

Srivastava, S. K.

1995-01-01

By utilizing a crossed electron beam collision geometry, a combination of time-of-flight (TOF) and quadrupole mass spectrometers, and the relative flow technique1 normalized values of cross sections and appearance energies (AP) were obtained for the formation of singly and multiply ionized species resulting from the ionization and dissociation of C2H2. Details ont he apparatus and technique have been published previously.2,3.

Circular dichroism in photo-single-ionization of unoriented atoms.

PubMed

Feagin, James M

2002-01-28

We predict circular dichroism in photo-single-ionization angular distributions from spherically symmetric atomic states if the ionized electron is detected using two-slit interferometry. We demonstrate that the resulting electron interference pattern captures phase information on quadrupole corrections to the photoionization amplitude lost in conventional angular distributions.

Nanosecond laser-cluster interactions at 109-1012 W/cm 2

NASA Astrophysics Data System (ADS)

Singh, Rohtash; Tripathi, V. K.; Vatsa, R. K.; Das, D.

2017-08-01

An analytical model and a numerical code are developed to study the evolution of multiple charge states of ions by irradiating clusters of atoms of a high atomic number (e.g., Xe) by 1.06 μm and 0.53 μm nanosecond laser pulses of an intensity in the range of 109-1012 W/cm 2 . The laser turns clusters into plasma nanoballs. Initially, the momentum randomizing collisions of electrons are with neutrals, but soon these are taken over by collisions with ions. The ionization of an ion to the next higher state of ionization is taken to be caused by an energetic free electron impact, and the rates of impact ionization are suitably modelled by having an inverse exponential dependence of ionizing collision frequency on the ratio of ionization potential to electron temperature. Cluster expansion led adiabatic cooling is a major limiting mechanism on electron temperature. In the intensity range considered, ionization states up to 7 are expected with nanosecond pulses. Another possible mechanism, filamentation of the laser, has also been considered to account for the observation of higher charged states. However, filamentation is seen to be insufficient to cause substantial local enhancement in the intensity to affect electron heating rates.

Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory.

PubMed

Sissay, Adonay; Abanador, Paul; Mauger, François; Gaarde, Mette; Schafer, Kenneth J; Lopata, Kenneth

2016-09-07

Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.

Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sissay, Adonay; Abanador, Paul; Mauger, François

2016-09-07

Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagatingmore » the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.« less

How the laser-induced ionization of transparent solids can be suppressed

NASA Astrophysics Data System (ADS)

Gruzdev, Vitaly

2013-12-01

A capability to suppress laser-induced ionization of dielectric crystals in controlled and predictable way can potentially result in substantial improvement of laser damage threshold of optical materials. The traditional models that employ the Keldysh formula do not predict any suppression of the ionization because of the oversimplified description of electronic energy bands underlying the Keldysh formula. To fix this gap, we performed numerical simulations of time evolution of conduction-band electron density for a realistic cosine model of electronic bands characteristic of wide-band-gap cubic crystals. The simulations include contributions from the photo-ionization (evaluated by the Keldysh formula and by the formula for the cosine band of volume-centered cubic crystals) and from the avalanche ionization (evaluated by the Drude model). Maximum conduction-band electron density is evaluated from a single rate equation as a function of peak intensity of femtosecond laser pulses for alkali halide crystals. Results obtained for high-intensity femtosecond laser pulses demonstrate that the ionization can be suppressed by proper choice of laser parameters. In case of the Keldysh formula, the peak electron density exhibits saturation followed by gradual increase. For the cosine band, the electron density increases with irradiance within the low-intensity multiphoton regime and switches to decrease with intensity approaching threshold of the strong singularity of the ionization rate characteristic of the cosine band. Those trends are explained with specific modifications of band structure by electric field of laser pulses.

Calculation of total and ionization cross sections for electron scattering by primary benzene compounds

NASA Astrophysics Data System (ADS)

Singh, Suvam; Naghma, Rahla; Kaur, Jaspreet; Antony, Bobby

2016-07-01

The total and ionization cross sections for electron scattering by benzene, halobenzenes, toluene, aniline, and phenol are reported over a wide energy domain. The multi-scattering centre spherical complex optical potential method has been employed to find the total elastic and inelastic cross sections. The total ionization cross section is estimated from total inelastic cross section using the complex scattering potential-ionization contribution method. In the present article, the first theoretical calculations for electron impact total and ionization cross section have been performed for most of the targets having numerous practical applications. A reasonable agreement is obtained compared to existing experimental observations for all the targets reported here, especially for the total cross section.

Cross sections for direct and dissociative ionization of NH3 and CS2 by electron impact

NASA Technical Reports Server (NTRS)

Rao, M. V. V. S.; Srivastava, S. K.

1991-01-01

A crossed electron beam-molecular beam collision geometry is used to measure cross sections for the production of positive ions by electron impact on NH3 and CS2. Ionization cross-section data for NH3 and the values of various cross sections are presented, as well as ionization efficiency curves for CS2. Considerable differences are found between the various results on NH3. The present values are close to the data of Djuric et al. (1981). The semiempirical calculations of Hare and Meath (1987) differ considerably in the absolute values of cross sections. Discrepancies were observed in comparisons of cross sections of other fragment ions resulting from the ionization and dissociate ionization of NH3.

Dynamics of bulk electron heating and ionization in solid density plasmas driven by ultra-short relativistic laser pulses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, L. G., E-mail: lingen.huang@hzdr.de; Kluge, T.; Cowan, T. E.

The dynamics of bulk heating and ionization is investigated both in simulations and theory, which determines the crucial plasma parameters such as plasma temperature and density in ultra-short relativistic laser-solid target interactions. During laser-plasma interactions, the solid density plasma absorbs a fraction of laser energy and converts it into kinetic energy of electrons. A portion of the electrons with relativistic kinetic energy goes through the solid density plasma and transfers energy into the bulk electrons, which results in bulk electron heating. The bulk electron heating is finally translated into the processes of bulk collisional ionization inside the solid target. Amore » simple model based on the Ohmic heating mechanism indicates that the local and temporal profile of bulk return current is essential to determine the temporal evolution of bulk electron temperature. A series of particle-in-cell simulations showing the local heating model is robust in the cases of target with a preplasma and without a preplasma. Predicting the bulk electron heating is then benefit for understanding the collisional ionization dynamics inside the solid targets. The connection of the heating and ionization inside the solid target is further studied using Thomas-Fermi model.« less

STORAGE RING CROSS SECTION MEASUREMENTS FOR ELECTRON IMPACT SINGLE AND DOUBLE IONIZATION OF Fe{sup 13+} AND SINGLE IONIZATION OF Fe{sup 16+} AND Fe{sup 17+}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hahn, M.; Novotny, O.; Savin, D. W.

2013-04-10

We report measurements of electron impact ionization for Fe{sup 13+}, Fe{sup 16+}, and Fe{sup 17+} over collision energies from below threshold to above 3000 eV. The ions were recirculated using an ion storage ring. Data were collected after a sufficiently long time that essentially all the ions had relaxed radiatively to their ground state. For single ionization of Fe{sup 13+}, we find that previous single pass experiments are more than 40% larger than our results. Compared to our work, the theoretical cross section recommended by Arnaud and Raymond is more than 30% larger, while that of Dere is about 20%more » greater. Much of the discrepancy with Dere is due to the theory overestimating the contribution of excitation-autoionization via n = 2 excitations. Double ionization of Fe{sup 13+} is dominated by direct ionization of an inner shell electron accompanied by autoionization of a second electron. Our results for single ionization of Fe{sup 16+} and Fe{sup 17+} agree with theoretical calculations to within the experimental uncertainties.« less

Study of Electron Ionization and Fragmentation of Non-hydrated and Hydrated Tetrahydrofuran Clusters

NASA Astrophysics Data System (ADS)

Neustetter, Michael; Mahmoodi-Darian, Masoomeh; Denifl, Stephan

2017-05-01

Mass spectroscopic investigations on tetrahydrofuran (THF, C4H8O), a common model molecule of the DNA-backbone, have been carried out. We irradiated isolated THF and (hydrated) THF clusters with low energy electrons (electron energy 70 eV) in order to study electron ionization and ionic fragmentation. For elucidation of fragmentation pathways, deuterated TDF (C4D8O) was investigated as well. One major observation is that the cluster environment shows overall a protective behavior on THF. However, also new fragmentation channels open in the cluster. In this context, we were able to solve a discrepancy in the literature about the fragment ion peak at mass 55 u in the electron ionization mass spectrum of THF. We ascribe this ion yield to the fragmentation of ionized THF clusters.

The absorption of energetic electrons by molecular hydrogen gas

NASA Technical Reports Server (NTRS)

Cravens, T. E.; Victor, G. A.; Dalgarno, A.

1975-01-01

The processes by which energetic electrons lose energy in a weakly ionized gas of molecular hydrogen are analyzed, and calculations are carried out taking into account the discrete nature of the excitation processes. The excitation, ionization, and heating efficiencies are computed for electrons with energies up to 100 eV absorbed in a gas with fractional ionizations up to 0.01, and the mean energy per pair of neutral hydrogen atoms is calculated.

Electron and fluorescence spectra of a water molecule irradiated by an x-ray free-electron laser pulse

NASA Astrophysics Data System (ADS)

Schäfer, Julia M.; Inhester, Ludger; Son, Sang-Kil; Fink, Reinhold F.; Santra, Robin

2018-05-01

With the highly intense x-ray light generated by x-ray free-electron lasers (XFELs), molecular samples can be ionized many times in a single pulse. Here we report on a computational study of molecular spectroscopy at the high x-ray intensity provided by XFELs. Calculated photoelectron, Auger electron, and x-ray fluorescence spectra are presented for a single water molecule that reaches many electronic hole configurations through repeated ionization steps. The rich details shown in the spectra depend on the x-ray pulse parameters in a nonintuitive way. We discuss how the observed trends can be explained by the competition of microscopic electronic transition processes. A detailed comparison between spectra calculated within the independent-atom model and within the molecular-orbital framework highlights the chemical sensitivity of the spectral lines of multiple-hole configurations. Our results demonstrate how x-ray multiphoton ionization-related effects such as charge-rearrangement-enhanced x-ray ionization of molecules and frustrated absorption manifest themselves in the electron and fluorescence spectra.

Electron-helium S-wave model benchmark calculations. II. Double ionization, single ionization with excitation, and double excitation

NASA Astrophysics Data System (ADS)

Bartlett, Philip L.; Stelbovics, Andris T.

2010-02-01

The propagating exterior complex scaling (PECS) method is extended to all four-body processes in electron impact on helium in an S-wave model. Total and energy-differential cross sections are presented with benchmark accuracy for double ionization, single ionization with excitation, and double excitation (to autoionizing states) for incident-electron energies from threshold to 500 eV. While the PECS three-body cross sections for this model given in the preceding article [Phys. Rev. A 81, 022715 (2010)] are in good agreement with other methods, there are considerable discrepancies for these four-body processes. With this model we demonstrate the suitability of the PECS method for the complete solution of the electron-helium system.

Ionizing Radiation Changes the Electronic Properties of Melanin and Enhances the Growth of Melanized Fungi

PubMed Central

Dadachova, Ekaterina; Bryan, Ruth A.; Huang, Xianchun; Moadel, Tiffany; Schweitzer, Andrew D.; Aisen, Philip; Nosanchuk, Joshua D.; Casadevall, Arturo

2007-01-01

Background Melanin pigments are ubiquitous in nature. Melanized microorganisms are often the dominating species in certain extreme environments, such as soils contaminated with radionuclides, suggesting that the presence of melanin is beneficial in their life cycle. We hypothesized that ionizing radiation could change the electronic properties of melanin and might enhance the growth of melanized microorganisms. Methodology/Principal Findings Ionizing irradiation changed the electron spin resonance (ESR) signal of melanin, consistent with changes in electronic structure. Irradiated melanin manifested a 4-fold increase in its capacity to reduce NADH relative to non-irradiated melanin. HPLC analysis of melanin from fungi grown on different substrates revealed chemical complexity, dependence of melanin composition on the growth substrate and possible influence of melanin composition on its interaction with ionizing radiation. XTT/MTT assays showed increased metabolic activity of melanized C. neoformans cells relative to non-melanized cells, and exposure to ionizing radiation enhanced the electron-transfer properties of melanin in melanized cells. Melanized Wangiella dermatitidis and Cryptococcus neoformans cells exposed to ionizing radiation approximately 500 times higher than background grew significantly faster as indicated by higher CFUs, more dry weight biomass and 3-fold greater incorporation of 14C-acetate than non-irradiated melanized cells or irradiated albino mutants. In addition, radiation enhanced the growth of melanized Cladosporium sphaerospermum cells under limited nutrients conditions. Conclusions/Significance Exposure of melanin to ionizing radiation, and possibly other forms of electromagnetic radiation, changes its electronic properties. Melanized fungal cells manifested increased growth relative to non-melanized cells after exposure to ionizing radiation, raising intriguing questions about a potential role for melanin in energy capture and utilization. PMID:17520016

FLARE FOOTPOINT REGIONS AND A SURGE OBSERVED BY HINODE/EIS, RHESSI, AND SDO/AIA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doschek, G. A.; Warren, H. P.; Dennis, B. R.

2015-11-01

The Extreme-ultraviolet Imaging Spectrometer (EIS) on the Hinode spacecraft observed flare footpoint regions coincident with a surge for an M3.7 flare observed on 2011 September 25 at N12 E33 in active region 11302. The flare was observed in spectral lines of O vi, Fe x, Fe xii, Fe xiv, Fe xv, Fe xvi, Fe xvii, Fe xxiii, and Fe xxiv. The EIS observations were made coincident with hard X-ray bursts observed by RHESSI. Overlays of the RHESSI images on the EIS raster images at different wavelengths show a spatial coincidence of features in the RHESSI images with the EIS upflowmore » and downflow regions, as well as loop-top or near-loop-top regions. A complex array of phenomena were observed, including multiple evaporation regions and the surge, which was also observed by the Solar Dynamics Observatory/Atmospheric Imaging Assembly telescopes. The slit of the EIS spectrometer covered several flare footpoint regions from which evaporative upflows in Fe xxiii and Fe xxiv lines were observed with Doppler speeds greater than 500 km s{sup −1}. For ions such as Fe xv both evaporative outflows (∼200 km s{sup −1}) and downflows (∼30–50 km s{sup −1}) were observed. Nonthermal motions from 120 to 300 km s{sup −1} were measured in flare lines. In the surge, Doppler speeds are found from about 0 to over 250 km s{sup −1} in lines from ions such as Fe xiv. The nonthermal motions could be due to multiple sources slightly Doppler-shifted from each other or turbulence in the evaporating plasma. We estimate the energetics of the hard X-ray burst and obtain a total flare energy in accelerated electrons of ≥7 × 10{sup 28} erg. This is a lower limit because only an upper limit can be determined for the low-energy cutoff to the electron spectrum. We find that detailed modeling of this event would require a multithreaded model owing to its complexity.« less

Development Status of the Helicon Hall Thruster

DTIC Science & Technology

2009-09-15

Hall thruster , the Helicon Hall Thruster , is presented. The Helicon Hall Thruster combines the efficient ionization mechanism of a helicon source with the favorable plasma acceleration properties of a Hall thruster . Conventional Hall thrusters rely on direct current electron bombardment to ionize the flow in order to generate thrust. Electron bombardment typically results in an ionization cost that can be on the order of ten times the ionization potential, leading to reduced efficiency, particularly at low

Electron impact ionization of plasma important SiClX (X = 1-4) molecules: theoretical cross sections

NASA Astrophysics Data System (ADS)

Kothari, Harshit N.; Pandya, Siddharth H.; Joshipura, K. N.

2011-06-01

Electron impact ionization of SiClX (X = 1-4) molecules is less studied but an important process for understanding and modelling the interactions of silicon-chlorine plasmas with different materials. The SiCl3 radical is a major chloro-silicon species involved in the CVD (chemical vapour deposition) of silicon films from SiCl4/Ar microwave plasmas. We report in this paper the total ionization cross sections for electron collisions on these silicon compounds at incident energies from the ionization threshold to 2000 eV. We employ the 'complex scattering potential-ionization contribution' method and identify the relative importance of various channels, with ionization included in the cumulative inelastic scattering. New results are also presented on these exotic molecular targets. This work is significant in view of the paucity of theoretical studies on the radicals SiClX (X = 1-3) and on SiCl4.

Newly Calibrated Observations from the MagEIS Proton Telescopes Aboard the Van Allen Probes

NASA Astrophysics Data System (ADS)

Looper, M. D.; Claudepierre, S. G.; O'Brien, T. P.; Blake, J. B.; Fennell, J. F.; Guild, T. B.; Mazur, J. E.

2017-12-01

In addition to electron detectors, the MagEIS (Magnetic Electron Ion Spectrometer) sensors aboard the Van Allen Probes include telescopes designed to measure protons from about 60 keV to 20 MeV. While both MagEIS telescopes measure protons in the 60-1200 keV energy range, the telescope on Van Allen Probe B houses an additional detector that measures protons in the 1-20 MeV energy range. With the addition of the 1-20 MeV proton measurements, these telescopes bridge the energy ranges of the HOPE and REPT sensors that are also part of the Energetic Particle, Composition, and Thermal Plasma (ECT) sensor suite. We have used the Geant4 radiation-transport code to model the response of the proton telescopes, including backgrounds, and have used this new understanding to prepare a calibrated dataset of their measurements. The newly-calibrated 1-20 MeV proton measurements will be made available to the community for the first time as part of an upcoming ECT data release. We present results from this new dataset during geomagnetically active periods when changes are observed in the outer regions of the inner zone.

Pulsed, high-current, in-line reversal electron attachment detector

NASA Technical Reports Server (NTRS)

Bernius, Mark T.; Chutjian, Ara

1989-01-01

A new, pulsed, high-current, in-line reversal electron attachment ionizer/detector is described. The ionizer is capable of delivering a beam of electrons into an electrostatic mirror field to form a planar wall of electrons having zero kinetic energy. Electron attachment to a molecular target at the reversal point produces either parent or fragment negative ions through a zero-energy (s-wave) state. The atomic or molecular ion is pulsed out of the attachment region approximately 2 microsec after the electrons are pulsed off, and focused onto the entrance plane of a quadrupole mass analyzer. The sensitivity of the apparatus is preliminarily assessed, and its higher-energy behavior with regard to molecular attachment and ionization is described.

A practical theoretical formalism for atomic multielectron processes: direct multiple ionization by a single auger decay or by impact of a single electron or photon

NASA Astrophysics Data System (ADS)

Liu, Pengfei; Zeng, Jiaolong; Yuan, Jianmin

2018-04-01

Multiple electron processes occur widely in atoms, molecules, clusters, and condensed matters when they are interacting with energetic particles or intense laser fields. Direct multielectron processes (DMEP) are the most complicated among the general multiple electron processes and are the most difficult to describe theoretically. In this work, a unified and accurate theoretical formalism is proposed on the DMEP of atoms including the multiple auger decay and multiple ionization by an impact of a single electron or a single photon based on the atomic collision theory described by a correlated many-body Green's function. Such a practical treatment is made possible by taking consideration of the different coherence features of the atoms (matter waves) in the initial and final states. We first explain how the coherence characteristics of the ejected continuum electrons is largely destructed, by taking the electron impact direct double ionization process as an example. The direct double ionization process is completely different from the single ionization where the complete interference can be maintained. The detailed expressions are obtained for the energy correlations among the continuum electrons and energy resolved differential and integral cross sections according to the separation of knock-out (KO) and shake-off (SO) mechanisms for the electron impact direct double ionization, direct double and triple auger decay, and double and triple photoionization (TPI) processes. Extension to higher order DMEP than triple ionization is straight forward by adding contributions of the following KO and SO processes. The approach is applied to investigate the electron impact double ionization processes of C+, N+, and O+, the direct double and triple auger decay of the K-shell excited states of C+ 1s2{s}22{p}2{}2D and {}2P, and the double and TPI of lithium. Comparisons with the experimental and other theoretical investigations wherever available in the literature show that our theoretical formalism is accurate and effective in treating the atomic multielectron processes.

Carotenoids of two freshwater amphipod species (Gammarus pulex and G. roeseli) and their common acanthocephalan parasite Polymorphus minutus.

PubMed

Gaillard, Maria; Juillet, Cédrik; Cézilly, Frank; Perrot-Minnot, Marie-Jeanne

2004-09-01

Carotenoid compositions of two freshwater Gammarus species (Crustacea: Amphipoda) and of their common acanthocephalan parasite Polymorphus minutus were characterized. The effect of carotenoid uptake by the parasite was addressed by comparing the carotenoid content of uninfected and infected female hosts. Using high-pressure liquid chromatography (HPLC), co-chromatography of reference pigments and electron ionization mass spectrometry of collected HPLC fractions (EI-MS), several xanthophylls and non-polar compounds were identified. Seven kinds of carotenoids, mainly xanthophylls, were identified in gammarids. Astaxanthin was predominant, amounting to 40 wt.% of total carotenoid in both uninfected G. pulex and G. roeseli. By contrast, we found only non-polar compounds with a predominance of esterified forms of astaxanthin in P. minutus larvae. No significant effect of infection on carotenoid content was evidenced in G. pulex and G. roeseli females. Our study highlights the use of a Matrix Solid Phase Dispersion as an efficient extraction method of both xanthophylls and non-polar pigments in small samples, including lipid-rich ones as P. minutus parasite. We discuss on the presumptive pathway leading to the formation of free astaxanthin in gammarids via hydroxy compounds, and on the accumulation of esters of astaxanthin in parasites.

A detailed mechanistic fragmentation analysis of methamphetamine and select regioisomers by GC/MS.

PubMed

Sachs, Sandra B; Woo, Francis

2007-03-01

A novel ring-substituted methamphetamine regioisomer, N,alpha,4-trimethyl phenmethylamine, was synthesized in order to study the validity of proposed structures for various mass spectrometry (MS)-derived peaks in a methamphetamine fragmentation pattern. While other research efforts have studied aspects of methamphetamine in detail, a full fragmentation study has not been reported previously. In addition to showing molecular structures represented by fragment peaks, mechanisms for selected processes are detailed. An empirically derived procedure to easily determine by simple spectral peak pattern recognition the geometry of dimethyl- or ethyl-substituted immonium ions (RRC = N+ RR) where m/z = 58 is outlined. These results are platform independent for electron ionization (EI) instruments, but have also proven to be helpful in explaining spectral peaks observed in spectra from ion trap systems. The spectrum for the synthesized methamphetamine regioisomer was accurately predicted using this methodology. While this approach is useful in some casework, the converse may be more useful: when an unexpected or unusual peak pattern arises in a spectrum, being able to analyze it to determine the structure of the molecule. This paper gives an analyst the means to begin such retro-synthetic analyses.

Electron Impact Excitation-Ionization of Molecules

NASA Astrophysics Data System (ADS)

Ali, Esam Abobakr A.

In the last few decades, the study of atomic collisions by electron-impact has made significant advances. The most difficult case to study is electron impact ionization of molecules for which many approximations have to be made and the validity of these approximations can only be checked by comparing with experiment. In this thesis, I have examined the Molecular three-body distorted wave (M3DW) or Molecular four-body distorted wave (M4DW) approximations for electron-impact ionization. These models use a fully quantum mechanical approach where all particles are treated quantum mechanically and the post collision interaction (PCI) is treated to all orders of perturbation. These electron impact ionization collisions play central roles in the physics and chemistry of upper atmosphere, biofuel, the operation of discharges and lasers, radiation induced damage in biological material like damage to DNA by secondary electrons, and plasma etching processes. For the M3DW model, I will present results for electron impact single ionization of small molecules such as Water, Ethane, and Carbon Dioxide and the much larger molecules Tetrahydrofuran, phenol, furfural, 1-4 Benzoquinone. I will also present results for the four-body problem in which there are two target electrons involved in the collision. M4DW results will be presented for dissociative excitation-ionization of orientated D2. I will show that M4DW calculations using a variational wave function for the ground state that included s- and p- orbital states give better agreement to the experimental measurements than a ground state approximated as a product of two 1s-type Dyson orbitals.

Transition-matrix theory for two-photon ionization of rare-gas atoms and isoelectronic ions with application to argon

NASA Astrophysics Data System (ADS)

Starace, Anthony F.; Jiang, Tsin-Fu

1987-08-01

A transition-matrix theory for two-photon ionization processes in rare-gas atoms or isoelectronic ions is presented. Uncoupled ordinary differential equations are obtained for the radial functions needed to calculate the two-photon transition amplitude. The implications of these equations are discussed in detail. In particular, the role of correlations involving virtually excited electron pairs, which are known to be essential to the description of single-photon processes, is examined for multiphoton ionization processes. Additionally, electron scattering interactions between two electron-hole pairs are introduced into our transition amplitude in the boson approximation since these have been found important in two-photon ionization of xenon by L'Huillier and Wendin [J. Phys. B 20, L37 (1987)]. Application of our theory is made to two-photon ionization of the 3p subshell of argon below the one-photon ionization threshold. Our results are compared to previous calculations of McGuire [Phys. Rev. A 24, 835 (1981)], of Moccia, Rahman, and Rizzo [J. Phys. B 16, 2737 (1983)], and of Pindzola and Kelly [Phys. Rev. A 11, 1543 (1975)]. Results are presented for both circularly and linearly polarized photons. Among our findings are, firstly, that the electron scattering interactions, which have not been included in previous calculations for argon, produce a substantial reduction in the two-photon single-ionization cross section below the one-photon ionization threshold, which is in agreement with findings of L'Huillier and Wendin for xenon. Secondly, we find that de-excitation of virtually excited electron pairs by absorption of a photon is important for describing the interaction of the atom with the photon field, as in the case of single-photon ionization processes, but that further excitation of virtually excited electron pairs by the photon field has completely negligible effects, indicating a major simplification of the theory for higher-order absorption processes.

Electron-electron correlation in two-photon double ionization of He-like ions [Counterintuitive electron correlation in two-photon double ionization of He-like ions

DOE PAGES

Hu, S. X.

2018-01-18

Electron correlation plays a crucial role in quantum many-body physics ranging from molecular bonding, strong-field–induced multi-electron ionization, to superconducting in materials. Understanding the dynamic electron correlation in the photoionization of relatively simple quantum three-body systems, such as He and He-like ions, is an important step toward manipulating complex systems through photo-induced processes. Here we have performed ab initio investigations of two-photon double ionization (TPDI) of He and He-like ions [Li +, Be 2+, and C 4+] exposed to intense attosecond x-ray pulses. Results from such fully correlated quantum calculations show weaker and weaker electron correlation effects in TPDI spectra asmore » the ionic charge increases, which is counterintuitive to the belief that the strongly correlated ground state and the strong Coulomb field of He-like ions should lead to more equal-energy sharing in photoionization. Lastly, these findings indicate that the final-state electron–electron correlation ultimately determines their energy sharing in TPDI.« less

Electron-electron correlation in two-photon double ionization of He-like ions [Counterintuitive electron correlation in two-photon double ionization of He-like ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, S. X.

Electron correlation plays a crucial role in quantum many-body physics ranging from molecular bonding, strong-field–induced multi-electron ionization, to superconducting in materials. Understanding the dynamic electron correlation in the photoionization of relatively simple quantum three-body systems, such as He and He-like ions, is an important step toward manipulating complex systems through photo-induced processes. Here we have performed ab initio investigations of two-photon double ionization (TPDI) of He and He-like ions [Li +, Be 2+, and C 4+] exposed to intense attosecond x-ray pulses. Results from such fully correlated quantum calculations show weaker and weaker electron correlation effects in TPDI spectra asmore » the ionic charge increases, which is counterintuitive to the belief that the strongly correlated ground state and the strong Coulomb field of He-like ions should lead to more equal-energy sharing in photoionization. Lastly, these findings indicate that the final-state electron–electron correlation ultimately determines their energy sharing in TPDI.« less

Selective ion source

DOEpatents

Leung, K.N.

1996-05-14

A ion source is described wherein selected ions maybe extracted to the exclusion of unwanted ion species of higher ionization potential. Also described is a method of producing selected ions from a compound, such as P{sup +} from PH{sub 3}. The invention comprises a plasma chamber, an electron source, a means for introducing a gas to be ionized by electrons from the electron source, means for limiting electron energy from the electron source to a value between the ionization energy of the selected ion species and the greater ionization energy of an unwanted ion specie, and means for extracting the target ion specie from the plasma chamber. In one embodiment, the electrons are generated in a plasma cathode chamber immediately adjacent to the plasma chamber. A small extractor draws the electrons from the plasma cathode chamber into the relatively positive plasma chamber. The energy of the electrons extracted in this manner is easily controlled. The invention is particularly useful for doping silicon with P{sup +}, As{sup +}, and B{sup +} without the problematic presence of hydrogen, helium, water, or carbon oxide ions. Doped silicon is important for manufacture of semiconductors and semiconductor devices. 6 figs.

Selective ion source

DOEpatents

Leung, Ka-Ngo

1996-01-01

A ion source is described wherein selected ions maybe extracted to the exclusion of unwanted ion species of higher ionization potential. Also described is a method of producing selected ions from a compound, such as P.sup.+ from PH.sub.3. The invention comprises a plasma chamber, an electron source, a means for introducing a gas to be ionized by electrons from the electron source, means for limiting electron energy from the electron source to a value between the ionization energy of the selected ion species and the greater ionization energy of an unwanted ion specie, and means for extracting the target ion specie from the plasma chamber. In one embodiment, the electrons are generated in a plasma cathode chamber immediately adjacent to the plasma chamber. A small extractor draws the electrons from the plasma cathode chamber into the relatively positive plasma chamber. The energy of the electrons extracted in this manner is easily controlled. The invention is particularly useful for doping silicon with P.sup.+, AS.sup.+, and B.sup.+ without the problematic presence of hydrogen, helium, water, or carbon oxide ions. Doped silicon is important for manufacture of semiconductors and semiconductor devices.

Cascade Model of Ionization Multiplication of Electrons in Glow Discharge Plasma

NASA Astrophysics Data System (ADS)

Romanenko, V. A.; Solodky, S. A.; Kudryavtsev, A. A.; Suleymanov, I. A.

1996-10-01

For determination of EDF in non-uniform fields a Monte-Carlo simulation(Tran Ngoc An et al., J.Phys.D: Appl. Phys. 10, 2317 (1977))^,(J.P. Boeuf et al., Phys.D: Appl.Phys. 15, 2169 (1982)) is applied. As alternative multi-beam cascade model(H.B. Valentini, Contrib.Plasma Phys. 27, 331 (1987)) is offered. Our model eliminates defects of that model and enables to determine EDF of low pressure plasma in non-uniform fields. A cascade model (with EDF dividing in monoenergetic electron groups) for arbitrary electric potential profile was used. Modeling was carried out for electron forward scattering only, constant electron mean free path; ionization was considered only. The equation system was solved for the region with kinetic energies more than ionization energy. The boundary conditions (on ionization energy curve) take into account electron transitions from higher-lying level in the less than ionization energy region and secondary electron production. The problem solution in analytical functions was obtained. The insertion of additional processes does not make significant difficulties. EDF and electrokinetical parameters in helium from numerical calculations are well agreed with above-mentioned authors. Work was carried out under RFFI (project N 96-02-18417) support.

Measurements of the structure of an ionizing shock wave in a hydrogen-helium mixture

NASA Technical Reports Server (NTRS)

Leibowitz, L. P.

1972-01-01

Shock structure during ionization of a hydrogen-helium mixture was studied using hydrogen line and continuum emission measurements. A reaction scheme is proposed which includes hydrogen dissociation and a two-step excitation-ionization mechanism for hydrogen ionization by atom-atom and atom-electron collisions. Agreement was achieved between numerical calculations and measurements of emission intensity as a function of time for shock velocities from 13 to 20 km/sec in a 0.208 H2 - 0.792 He mixture. The electron temperature was found to be significantly different from the heavy particle temperature during much of the ionization process. Similar time histories for H beta and continuum emission indicate upper level populations of hydrogen in equilibrium with the electron concentration during the relaxation process.

Measurements of the structure of an ionizing shock wave in a hydrogen-helium mixture.

NASA Technical Reports Server (NTRS)

Leibowitz, L. P.

1973-01-01

Shock structure during ionization of a hydrogen-helium mixture has been followed using hydrogen line and continuum emission measurements. A reaction scheme is proposed which includes hydrogen dissociation and a two-step excitation-ionization mechanism for hydrogen ionization by atom-atom and atom-electron collisions. Agreement has been achieved between numerical calculations and measurements of emission intensity as a function of time for shock velocities from 13 to 20 km/sec in a 0.208 H2-0.792 He mixture. The electron temperature was found to be significantly different from the heavy particle temperature during much of the ionization process. Similar time histories for H beta and continuum emission indicate upper level populations of hydrogen in equilibrium with the electron concentration during the relaxation process.

Calculation on spectrum of direct DNA damage induced by low-energy electrons including dissociative electron attachment.

PubMed

Liu, Wei; Tan, Zhenyu; Zhang, Liming; Champion, Christophe

2017-03-01

In this work, direct DNA damage induced by low-energy electrons (sub-keV) is simulated using a Monte Carlo method. The characteristics of the present simulation are to consider the new mechanism of DNA damage due to dissociative electron attachment (DEA) and to allow determining damage to specific bases (i.e., adenine, thymine, guanine, or cytosine). The electron track structure in liquid water is generated, based on the dielectric response model for describing electron inelastic scattering and on a free-parameter theoretical model and the NIST database for calculating electron elastic scattering. Ionization cross sections of DNA bases are used to generate base radicals, and available DEA cross sections of DNA components are applied for determining DNA-strand breaks and base damage induced by sub-ionization electrons. The electron elastic scattering from DNA components is simulated using cross sections from different theoretical calculations. The resulting yields of various strand breaks and base damage in cellular environment are given. Especially, the contributions of sub-ionization electrons to various strand breaks and base damage are quantitatively presented, and the correlation between complex clustered DNA damage and the corresponding damaged bases is explored. This work shows that the contribution of sub-ionization electrons to strand breaks is substantial, up to about 40-70%, and this contribution is mainly focused on single-strand break. In addition, the base damage induced by sub-ionization electrons contributes to about 20-40% of the total base damage, and there is an evident correlation between single-strand break and damaged base pair A-T.

Simplified Numerical Description of SPT Operations

NASA Technical Reports Server (NTRS)

Manzella, David H.

1995-01-01

A simplified numerical model of the plasma discharge within the SPT-100 stationary plasma thruster was developed to aid in understanding thruster operation. A one dimensional description was used. Non-axial velocities were neglected except for the azimuthal electron velocity. A nominal operating condition of 4.5 mg/s of xenon anode flow was considered with 4.5 Amperes of discharge current, and a peak radial magnetic field strength of 130 Gauss. For these conditions, the calculated results indicated ionization fractions of 0.99 near the thruster exit with a potential drop across the discharge of approximately 250 Volts. Peak calculated electron temperatures were found to be sensitive to the choice of total ionization cross section for ionization of atomic xenon by electron bombardment and ranged from 51 eV to 60 eV. The calculated ionization fraction, potential drop, and electron number density agree favorably with previous experiments. Calculated electron temperatures are higher than previously measured.

A rocket-borne airglow photometer

NASA Technical Reports Server (NTRS)

Paarmann, L. D.; Smith, L. G.

1977-01-01

The design of a rocket-borne photometer to measure the airglow emission of ionized molecular nitrogen in the 391.4 nm band is presented. This airglow is a well known and often observed phenomenon of auroras, where the principal source of ionization is energetic electrons. It is believed that at some midlatitude locations energetic electrons are also a source of nighttime ionization in the E region of the ionosphere. If this is so, then significant levels of 391.4 nm airglow should be present. The intensity of this airglow will be measured in a rocket payload which also contains instrumentation to measured in a rocket payload which also contains instrumentation to measure energetic electron differential flux and the ambient electron density. An intercomparison of the 3 experiments in a nightime launch will allow a test of the importance of energetic electrons as a nighttime source of ionization in the upper E region.

Are the argon metastables important in high power impulse magnetron sputtering discharges?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gudmundsson, J. T., E-mail: tumi@hi.is; Science Institute, University of Iceland, Dunhaga 3, IS-107 Reykjavik; Lundin, D.

2015-11-15

We use an ionization region model to explore the ionization processes in the high power impulse magnetron sputtering (HiPIMS) discharge in argon with a titanium target. In conventional dc magnetron sputtering (dcMS), stepwise ionization can be an important route for ionization of the argon gas. However, in the HiPIMS discharge stepwise ionization is found to be negligible during the breakdown phase of the HiPIMS pulse and becomes significant (but never dominating) only later in the pulse. For the sputtered species, Penning ionization can be a significant ionization mechanism in the dcMS discharges, while in the HiPIMS discharge Penning ionization ismore » always negligible as compared to electron impact ionization. The main reasons for these differences are a higher plasma density in the HiPIMS discharge, and a higher electron temperature. Furthermore, we explore the ionization fraction and the ionized flux fraction of the sputtered vapor and compare with recent experimental work.« less

Experimental setups for FEL-based four-wave mixing experiments at FERMI

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bencivenga, Filippo; Zangrando, Marco; Svetina, Cristian

2016-01-01

The recent advent of free-electron laser (FEL) sources is driving the scientific community to extend table-top laser research to shorter wavelengths adding elemental selectivity and chemical state specificity. Both a compact setup (mini-TIMER) and a separate instrument (EIS-TIMER) dedicated to four-wave-mixing (FWM) experiments has been designed and constructed, to be operated as a branch of the Elastic and Inelastic Scattering beamline: EIS. The FWM experiments that are planned at EIS-TIMER are based on the transient grating approach, where two crossed FEL pulses create a controlled modulation of the sample excitations while a third time-delayed pulse is used to monitor themore » dynamics of the excited state. This manuscript describes such experimental facilities, showing the preliminary results of the commissioning of the EIS-TIMER beamline, and discusses original experimental strategies being developed to study the dynamics of matter at the fs–nm time–length scales. In the near future such experimental tools will allow more sophisticated FEL-based FWM applications, that also include the use of multiple and multi-color FEL pulses.« less

A field-deployable GC-EI-HRTOF-MS for in situ characterization of volatile organic compounds

NASA Astrophysics Data System (ADS)

Lerner, B. M.; Herndon, S. C.; Yacovitch, T. I.; Roscioli, J. R.; Fortner, E.; Knighton, W. B.; Sueper, D.; Isaacman-VanWertz, G. A.; Jayne, J. T.; Worsnop, D. R.

2017-12-01

Previous authors have demonstrated the value of coupling conventional gas chromatograph (GC) separation techniques with the new generation of electron-impact high-resolution time-of-flight mass spectrometry (EI-HR-ToF-MS) detectors for the measurement of halocarbons and semi-volatile organic species. Here, we present new instrumentation, analytical techniques and field data from the deployment of a GC-EI-HR-ToF-MS system in the mini Aerodyne mobile laboratory to sites upwind and downwind of San Antonio, Texas in May 2017. The instrument employed a multi-component adsorbent trap pre-concertation system followed by single-column separation. We will show results from the field work, including inter-comparison with other VOC measurements and characterization of C5-C10 hydrocarbon mixing ratios to distinguish urban and oil/gas emission sources in characterized air. We will discuss practical aspects of deployment of the GC-EI-HRTOF-MS in a mobile laboratory and system performance in the field. Will we also present further development of Aerodyne's TERN software package for chromatographic data analysis to processing of HRTOF-MS datasets.

Experimental setups for FEL-based four-wave mixing experiments at FERMI

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bencivenga, Filippo; Zangrando, Marco; Svetina, Cristian

The recent advent of free-electron laser (FEL) sources is driving the scientific community to extend table-top laser research to shorter wavelengths adding elemental selectivity and chemical state specificity. Both a compact setup (mini-TIMER) and a separate instrument (EIS-TIMER) dedicated to four-wave-mixing (FWM) experiments has been designed and constructed, to be operated as a branch of the Elastic and Inelastic Scattering beamline: EIS. The FWM experiments that are planned at EIS-TIMER are based on the transient grating approach, where two crossed FEL pulses create a controlled modulation of the sample excitations while a third time-delayed pulse is used to monitor themore » dynamics of the excited state. This manuscript describes such experimental facilities, showing the preliminary results of the commissioning of the EIS-TIMER beamline, and discusses original experimental strategies being developed to study the dynamics of matter at the fs–nm time–length scales. In the near future such experimental tools will allow more sophisticated FEL-based FWM applications, that also include the use of multiple and multi-color FEL pulses.« less

Calculation of H2-He Flow with Nonequilibrium Ionization and Radiation: an Interim Report

NASA Technical Reports Server (NTRS)

Furudate, Michiko; Chang, Keun-Shik

2005-01-01

The nonequilibrium ionization process in hydrogen-helium mixture behind a strong shock wave is studied numerically using the detailed ionization rate model developed recently by Park which accounts for emission and absorption of Lyman lines. The study finds that, once the avalanche ionization is started, the Lyman line is self-absorbed. The intensity variation of the radiation at 5145 Angstroms found by Leibowitz in a shock tube experiment can be numerically reproduced by assuming that ionization behind the shock wave prior to the onset of avalanche ionization is 1.3%. Because 1.3% initial ionization is highly unlikely, Leibowitz s experimental data is deemed questionable. By varying the initial electron density value in the calculation, the calculated ionization equilibration time is shown to increase approximately as inverse square-root of the initial electron density value. The true ionization equilibration time is most likely much longer than the value found by Leibowitz.

Identifying the Tunneling Site in Strong-Field Ionization of H_{2}^{+}.

PubMed

Liu, Kunlong; Barth, Ingo

2017-12-15

The tunneling site of the electron in a molecule exposed to a strong laser field determines the initial position of the ionizing electron and, as a result, has a large impact on the subsequent ultrafast electron dynamics on the polyatomic Coulomb potential. Here, the tunneling site of the electron of H_{2}^{+} ionized by a strong circularly polarized (CP) laser pulse is studied by numerically solving the time-dependent Schrödinger equation. We show that the electron removed from the down-field site is directly driven away by the CP field and the lateral photoelectron momentum distribution (LPMD) exhibits a Gaussian-like distribution, whereas the corresponding LPMD of the electron removed from the up-field site differs from the Gaussian shape due to the Coulomb focusing and scattering by the down-field core. Our current study presents the direct evidence clarifying a long-standing controversy over the tunneling site in H_{2}^{+} and raises the important role of the tunneling site in strong-field molecular ionization.

Wavelength dependent photoelectron circular dichroism of limonene studied by femtosecond multiphoton laser ionization and electron-ion coincidence imaging

NASA Astrophysics Data System (ADS)

Rafiee Fanood, Mohammad M.; Janssen, Maurice H. M.; Powis, Ivan

2016-09-01

Enantiomers of the monoterpene limonene have been investigated by (2 + 1) resonance enhanced multiphoton ionization and photoelectron circular dichroism employing tuneable, circularly polarized femtosecond laser pulses. Electron imaging detection provides 3D momentum measurement while electron-ion coincidence detection can be used to mass-tag individual electrons. Additional filtering, by accepting only parent ion tagged electrons, can be then used to provide discrimination against higher energy dissociative ionization mechanisms where more than three photons are absorbed to better delineate the two photon resonant, one photon ionization pathway. The promotion of different vibrational levels and, tentatively, different electronic ion core configurations in the intermediate Rydberg states can be achieved with different laser excitation wavelengths (420 nm, 412 nm, and 392 nm), in turn producing different state distributions in the resulting cations. Strong chiral asymmetries in the lab frame photoelectron angular distributions are quantified, and a comparison made with a single photon (synchrotron radiation) measurement at an equivalent photon energy.

Footprints of electron correlation in strong-field double ionization of Kr close to the sequential-ionization regime

NASA Astrophysics Data System (ADS)

Li, Xiaokai; Wang, Chuncheng; Yuan, Zongqiang; Ye, Difa; Ma, Pan; Hu, Wenhui; Luo, Sizuo; Fu, Libin; Ding, Dajun

2017-09-01

By combining kinematically complete measurements and a semiclassical Monte Carlo simulation we study the correlated-electron dynamics in the strong-field double ionization of Kr. Interestingly, we find that, as we step into the sequential-ionization regime, there are still signatures of correlation in the two-electron joint momentum spectrum and, more intriguingly, the scaling law of the high-energy tail is completely different from early predictions on the low-Z atom (He). These experimental observations are well reproduced by our generalized semiclassical model adapting a Green-Sellin-Zachor potential. It is revealed that the competition between the screening effect of inner-shell electrons and the Coulomb focusing of nuclei leads to a non-inverse-square central force, which twists the returned electron trajectory at the vicinity of the parent core and thus significantly increases the probability of hard recollisions between two electrons. Our results might have promising applications ranging from accurately retrieving atomic structures to simulating celestial phenomena in the laboratory.

Low-energy electron-impact single ionization of helium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Colgan, J.; Pindzola, M. S.; Childers, G.

2006-04-15

A study is made of low-energy electron-impact single ionization of ground-state helium. The time-dependent close-coupling method is used to calculate total integral, single differential, double differential, and triple differential ionization cross sections for impact electron energies ranging from 32 to 45 eV. For all quantities, the calculated cross sections are found to be in very good agreement with experiment, and for the triple differential cross sections, good agreement is also found with calculations made using the convergent close-coupling technique.

Short rise time intense electron beam generator

DOEpatents

Olson, Craig L.

1987-01-01

A generator for producing an intense relativistic electron beam having a subnanosecond current rise time includes a conventional generator of intense relativistic electrons feeding into a short electrically conductive drift tube including a cavity containing a working gas at a low enough pressure to prevent the input beam from significantly ionizing the working gas. Ionizing means such as a laser simultaneously ionize the entire volume of working gas in the cavity to generate an output beam having a rise time less than one nanosecond.

Short rise time intense electron beam generator

DOEpatents

Olson, C.L.

1984-03-16

A generator for producing an intense relativisitc electron beam having a subnanosecond current rise time includes a conventional generator of intense relativistic electrons feeding into a short electrically conductive drift tube including a cavity containing a working gas at a low enough pressure to prevent the input beam from significantly ionizing the working gas. Ionizing means such as a laser simultaneously ionize the entire volume of working gas in the cavity to generate an output beam having a rise time less than one nanosecond.

Electron Acceleration and Ionization Production in High-Power Heating Experiments at HAARP

NASA Astrophysics Data System (ADS)

Mishin, E. V.; Pedersen, T.

2012-12-01

Recent ionospheric modification experiments with the 3.6 MW transmitter at the High Frequency Active Auroral Research Program (HAARP) facility in Alaska led to discovery of artificial ionization descending from the nominal interaction altitude in the background F-region ionosphere by ~60-80 km. Artificial ionization production is indicated by significant 427.8 nm emissions from the 1st negative band of N2+ and the appearance of transmitter-induced bottomside traces in ionosonde data during the periods of most intense optical emissions. However, the exact mechanisms producing the artificial plasmas remain to be determined. Yet the only existing theoretical models explain the development of artificial plasma as an ionizing wavefront moving downward due to ionization by electrons accelerated by HF-excited strong Langmuir turbulence (SLT) generated near the plasma resonance, where the pump frequency matches the plasma frequency. However, the observations suggest also the significance of interactions with upper hybrid and electron Bernstein waves near multiples of the electron gyrofrequency. We describe recent observations and discuss suitable acceleration mechanisms.

Signature of charge migration in modulations of double ionization

NASA Astrophysics Data System (ADS)

Mauger, François; Abanador, Paul M.; Bruner, Adam; Sissay, Adonay; Gaarde, Mette B.; Lopata, Kenneth; Schafer, Kenneth J.

2018-04-01

We present a theoretical investigation of charge migration following strong-field ionization in a multielectron system. We study a model homonuclear molecule with two electrons, each restricted to one dimension (1 +1 D ), interacting with a strong, static electric field. We show that in this system charge migration results from the interplay between multiple ionization channels that overlap in space, creating a coherent electron-hole wave packet in the cation. We also find that, in our case, charge migration following the first ionization manifests as a modulation of the subsequent double-ionization signal. We derive a parametrized semiclassical model from the full multielectron system and we discuss the importance of the choice of cation electronic-structure basis for the efficacy of the semiclassical representation. We use the ab initio solution of the full 1 +1 D system as a reference for the qualitative and quantitative results of the parametrized semiclassical model. We discuss the extension of our model to long-wavelength time-dependent fields with full-dimension, many-electron targets.

Temporal correlation and correlated momentum distribution in nonsequential double ionization of Mg by circularly polarized laser fields

NASA Astrophysics Data System (ADS)

Xu, Tong-Tong; Ben, Shuai; Guo, Pei-Ying; Song, Kai-Li; Zhang, Jun; Liu, Xue-Shen

2017-07-01

We use the classical ensemble method to investigate the nonsequential double ionization (NSDI) process of Mg atoms in circularly polarized laser fields at a lower laser intensity. We illustrate the temporal correlation of the ‘side-by-side’ and the ‘back-to-back emission’. It indicates that the two electrons are more likely to be emitted at the same time for the ‘side-by-side emission’. We demonstrate the electronic trajectories from recollision-induced ionization (RII) and recollision-induced excitation with subsequent ionization (RESI). The distribution of the angle between the two ionized directions of the two electrons and the ion momentum distribution show that the anticorrelation distribution is dominant in the RESI mechanism and correlation distribution is dominant in the RII mechanism. The momentum distributions of Mg atoms for the slow and the fast electrons present a similar structure to the experimental observation of Ar atoms by Liu et al 2014 (Phys. Rev. Lett. 112 013003).

Quantum-mechanical predictions of electron-induced ionization cross sections of DNA components

NASA Astrophysics Data System (ADS)

Champion, Christophe

2013-05-01

Ionization of biomolecules remains still today rarely investigated on both the experimental and the theoretical sides. In this context, the present work appears as one of the first quantum mechanical approaches providing a multi-differential description of the electron-induced ionization process of the main DNA components for impact energies ranging from the target ionization threshold up to about 10 keV. The cross section calculations are here performed within the 1st Born approximation framework in which the ejected electron is described by a Coulomb wave whereas the incident and the scattered electrons are both described by a plane wave. The biological targets of interest, namely, the DNA nucleobases and the sugar-phosphate backbone, are here described by means of the GAUSSIAN 09 system using the restricted Hartree-Fock method with geometry optimization. The theoretical predictions also obtained have shown a reasonable agreement with the experimental total ionization cross sections while huge discrepancies have been pointed out with existing theoretical models, mainly developed within a semi-classical framework.

Correlated electronic decay in expanding clusters triggered by intense XUV pulses from a Free-Electron-Laser

PubMed Central

Oelze, Tim; Schütte, Bernd; Müller, Maria; Müller, Jan P.; Wieland, Marek; Frühling, Ulrike; Drescher, Markus; Al-Shemmary, Alaa; Golz, Torsten; Stojanovic, Nikola; Krikunova, Maria

2017-01-01

Irradiation of nanoscale clusters and large molecules with intense laser pulses transforms them into highly-excited non- equilibrium states. The dynamics of intense laser-cluster interaction is encoded in electron kinetic energy spectra, which contain signatures of direct photoelectron emission as well as emission of thermalized nanoplasma electrons. In this work we report on a so far not observed spectrally narrow bound state signature in the electron kinetic energy spectra from mixed Xe core - Ar shell clusters ionized by intense extreme-ultraviolet (XUV) pulses from a free-electron-laser. This signature is attributed to the correlated electronic decay (CED) process, in which an excited atom relaxes and the excess energy is used to ionize the same or another excited atom or a nanoplasma electron. By applying the terahertz field streaking principle we demonstrate that CED-electrons are emitted at least a few picoseconds after the ionizing XUV pulse has ended. Following the recent finding of CED in clusters ionized by intense near-infrared laser pulses, our observation of CED in the XUV range suggests that this process is of general relevance for the relaxation dynamics in laser produced nanoplasmas. PMID:28098175

SIMULTANEOUS IRIS AND HINODE/EIS OBSERVATIONS AND MODELING OF THE 2014 OCTOBER 27 X2.0 CLASS FLARE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Polito, V.; Reep, J. W.; Del Zanna, G.

We present a study of the X2-class flare which occurred on 2014 October 27 and was observed with the Interface Region Imaging Spectrograph (IRIS) and the EUV Imaging Spectrometer (EIS) on board the Hinode satellite. Thanks to the high cadence and spatial resolution of the IRIS and EIS instruments, we are able to compare simultaneous observations of the Fe xxi 1354.08 Å and Fe xxiii 263.77 Å high-temperature emission (≳10 MK) in the flare ribbon during the chromospheric evaporation phase. We find that IRIS observes completely blueshifted Fe xxi line profiles, up to 200 km s{sup −1} during the rise phase of the flare, indicatingmore » that the site of the plasma upflows is resolved by IRIS. In contrast, the Fe xxiii line is often asymmetric, which we interpret as being due to the lower spatial resolution of EIS. Temperature estimates from SDO/AIA and Hinode/XRT show that hot emission (log(T[K]) > 7.2) is first concentrated at the footpoints before filling the loops. Density-sensitive lines from IRIS and EIS give estimates of electron number density of ≳10{sup 12} cm{sup −3} in the transition region lines and 10{sup 10} cm{sup −3} in the coronal lines during the impulsive phase. In order to compare the observational results against theoretical predictions, we have run a simulation of a flare loop undergoing heating using the HYDRAD 1D hydro code. We find that the simulated plasma parameters are close to the observed values that are obtained with IRIS, Hinode, and AIA. These results support an electron beam heating model rather than a purely thermal conduction model as the driving mechanism for this flare.« less

Electron-Atom Ionization Calculations using Propagating Exterior Complex Scaling

NASA Astrophysics Data System (ADS)

Bartlett, Philip

2007-10-01

The exterior complex scaling method (Science 286 (1999) 2474), pioneered by Rescigno, McCurdy and coworkers, provided highly accurate ab initio solutions for electron-hydrogen collisions by directly solving the time-independent Schr"odinger equation in coordinate space. An extension of this method, propagating exterior complex scaling (PECS), was developed by Bartlett and Stelbovics (J. Phys. B 37 (2004) L69, J. Phys. B 39 (2006) R379) and has been demonstrated to provide computationally efficient and accurate calculations of ionization and scattering cross sections over a large range of energies below, above and near the ionization threshold. An overview of the PECS method for three-body collisions and the computational advantages of its propagation and iterative coupling techniques will be presented along with results of: (1) near-threshold ionization of electron-hydrogen collisions and the Wannier threshold laws, (2) scattering cross section resonances below the ionization threshold, and (3) total and differential cross sections for electron collisions with excited targets and hydrogenic ions from low through to high energies. Recently, the PECS method has been extended to solve four-body collisions using time-independent methods in coordinate space and has initially been applied to the s-wave model for electron-helium collisions. A description of the extensions made to the PECS method to facilitate these significantly more computationally demanding calculations will be given, and results will be presented for elastic, single-excitation, double-excitation, single-ionization and double-ionization collisions.

Microstructures and electrochemical behaviors of the friction stir welding dissimilar weld.

PubMed

Shen, Changbin; Zhang, Jiayan; Ge, Jiping

2011-06-01

By using optical microscope, the microstructures of 5083/6082 friction stir welding (FSW) weld and parent materials were analyzed. Meanwhile, at ambient temperature and in 0.2 mol/L NaHS03 and 0.6 mol/L NaCl solutionby gravimetric test, potentiodynamic polarization curve test, electrochemical impedance spectra (EIS) and scanning electron microscope (SEM) observation, the electrochemical behavior of 5083/6082 friction stir welding weld and parent materials were comparatively investigated by gravimetric test, potentiodynamic polarization curve test, electrochemical impedance spectra (EIS) and scanning electron microscope (SEM) observation. The results indicated that at given processing parameters, the anti-corrosion property of the dissimilar weld was superior to those of the 5083 and 6082 parent materials. Copyright © 2011 The Research Centre for Eco-Environmental Sciences, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

Semiconductor detector with smoothly tunable effective thickness for the study of ionization loss by moderately relativistic electrons

NASA Astrophysics Data System (ADS)

Shchagin, A. V.; Shul'ga, N. F.; Trofymenko, S. V.; Nazhmudinov, R. M.; Kubankin, A. S.

2016-11-01

The possibility of measurement of electrons ionization loss in Si layer of smoothly tunable thickness is shown in the proof-of-principle experiment. The Si surface-barrier detector with the depleted layer thickness controlled by the value of high voltage power supply has been used. Ionization loss spectra for electrons emitted by radioactive source 207Bi are presented and discussed. Experimental results for the most probable ionization loss in the Landau spectral peak are compared with theoretical calculations. The possibility of research of evolution of electromagnetic field of ultra-relativistic particles traversing media interface with the use of detectors with smoothly tunable thickness is proposed.

Calculation of total electron excitation cross-sections and partial electron ionization cross-sections for the elements. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Green, T. J.

1973-01-01

Computer programs were used to calculate the total electron excitation cross-section for atoms and the partial ionization cross-section. The approximations to the scattering amplitude used are as follows: (1) Born, Bethe, and Modified Bethe for non-exchange excitation; (2) Ochkur for exchange excitation; and (3) Coulomb-Born of non-exchange ionization. The amplitudes are related to the differential cross-sections which are integrated to give the total excitation (or partial ionization) cross-section for the collision. The atomic wave functions used are Hartree-Fock-Slater functions for bound states and the coulomb wave function for the continuum. The programs are presented and the results are examined.

Scaling of X-Ray Preionized Mercury Bromide Lasers

DTIC Science & Technology

1981-11-01

H £* [ft T3 (0 0) H Q) W (d U w w S Ü 1° in W...CM I |M (U ■ H I fa 2-11 Table 2-4 Comparison of HgBr Discharge Lasers Laboratory NOSC MSNW Type Ionization Source Length/Energy...o o CN m in CN co r- o o o, i- H CN CO ^ ^ h > t^ +-^ e <-J W ^ in o E-i dP U <: D •—" « EH d< W .J H X 53 O P u W > O D W > H

Ultrafast laser-induced modifications of energy bands of non-metal crystals

NASA Astrophysics Data System (ADS)

Gruzdev, Vitaly

2009-10-01

Ultrafast laser-induced variations of electron energy bands of transparent solids significantly influence ionization and conduction-band electron absorption driving the initial stage of laser-induced damage (LID). The mechanisms of the variations are attributed to changing electron functions from bonding to anti-bonding configuration via laser-induced ionization; laser-driven electron oscillations in quasi-momentum space; and direct distortion of the inter-atomic potential by electric field of laser radiation. The ionization results in the band-structure modification via accumulation of broken chemical bonds between atoms and provides significant contribution to the overall modification only when enough excited electrons are accumulated in the conduction band. The oscillations are associated with modification of electron energy by pondermotive potential of the oscillations. The direct action of radiation's electric field leads to specific high-frequency Franz-Keldysh effect (FKE) spreading the allowed electron states into the bands of forbidden energy. Those processes determine the effective band gap that is a laser-driven energy gap between the modified electron energy bands. Among those mechanisms, the latter two provide reversible band-structure modification that takes place from the beginning of the ionization and are, therefore, of special interest due to their strong influence on the initial stage of the ionization. The pondermotive potential results either in monotonous increase or oscillatory variations of the effective band gap that has been taken into account in some ionization models. The classical FKE provides decrease of the band gap. We analyzing the competition between those two opposite trends of the effective-band-gap variations and discuss applications of those effects for considerations of the laser-induced damage and its threshold in transparent solids.

Valence ionized states of iron pentacarbonyl and eta5-cyclopentadienyl cobalt dicarbonyl studied by symmetry-adapted cluster-configuration interaction calculation and collision-energy resolved Penning ionization electron spectroscopy.

PubMed

Fukuda, Ryoichi; Ehara, Masahiro; Nakatsuji, Hiroshi; Kishimoto, Naoki; Ohno, Koichi

2010-02-28

Valence ionized states of iron pentacarbonyl Fe(CO)(5) and eta(5)-cyclopentadienyl cobalt dicarbonyl Co(eta(5)-C(5)H(5))(CO)(2) have been studied by ultraviolet photoelectron spectroscopy, two-dimensional Penning ionization electron spectroscopy (2D-PIES), and symmetry-adapted cluster-configuration interaction calculations. Theory provided reliable assignments for the complex ionization spectra of these molecules, which have metal-carbonyl bonds. Theoretical ionization energies agreed well with experimental observations and the calculated wave functions could explain the relative intensities of PIES spectra. The collision-energy dependence of partial ionization cross sections (CEDPICS) was obtained by 2D-PIES. To interpret these CEDPICS, the interaction potentials between the molecules and a Li atom were examined in several coordinates by calculations. The relation between the slope of the CEDPICS and the electronic structure of the ionized states, such as molecular symmetry and the spatial distribution of ionizing orbitals, was analyzed. In Fe(CO)(5), an attractive interaction was obtained for the equatorial CO, while the interaction for the axial CO direction was repulsive. For Co(eta(5)-C(5)H(5))(CO)(2), the interaction potential in the direction of both Co-C-O and Co-Cp ring was attractive. These anisotropic interactions and ionizing orbital distributions consistently explain the relative slopes of the CEDPICS.

Compendium of Current Total Ionizing Dose and Displacement Damage Results from NASA Goddard Space Flight Center and NASA Electronic Parts and Packaging Program

NASA Technical Reports Server (NTRS)

Topper, Alyson D.; Campola, Michael J.; Chen, Dakai; Casey, Megan C.; Yau, Ka-Yen; Cochran, Donna J.; Label, Kenneth A.; Ladbury, Raymond L.; Mondy, Timothy K.; O'Bryan, Martha V.;

Parametrization of electron impact ionization cross sections for CO, CO2, NH3 and SO2

NASA Technical Reports Server (NTRS)

Srivastava, Santosh K.; Nguyen, Hung P.

1987-01-01

The electron impact ionization and dissociative ionization cross section data of CO, CO2, CH4, NH3, and SO2, measured in the laboratory, were parameterized utilizing an empirical formula based on the Born approximation. For this purpose an chi squared minimization technique was employed which provided an excellent fit to the experimental data.

Compendium of Total Ionizing Dose and Displacement Damage for Candidate Spacecraft Electronics for NASA

NASA Technical Reports Server (NTRS)

Cochran, Donna J.; Boutte, Alvin J.; Chen, Dakai; Pellish, Jonathan A.; Ladbury, Raymond L.; Casey, Megan C.; Campola, Michael J.; Wilcox, Edward P.; Obryan, Martha V.; LaBel, Kenneth A.;

The Use of Electronic Information Services and Information Literacy: A Glasgow Caledonian University Study

ERIC Educational Resources Information Center

Crawford, John

2006-01-01

The study was undertaken as part of the LIRG/SCONUL Value and Impact study and sought to establish direct evidence of the impact of electronic information services (EIS) on Glasgow Caledonian University students, both past and present. Evidence of the spread of information literacy among students and alumni was also sought. An electronic…

Nonsequential double ionization with mid-infrared laser fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Ying -Bin; Wang, Xu; Yu, Ben -Hai

Using a full-dimensional Monte Carlo classical ensemble method, we present a theoretical study of atomic nonsequential double ionization (NSDI) with mid-infrared laser fields, and compare with results from near-infrared laser fields. Unlike single-electron strong-field processes, double ionization shows complex and unexpected interplays between the returning electron and its parent ion core. As a result of these interplays, NSDI for mid-IR fields is dominated by second-returning electron trajectories, instead of first-returning trajectories for near-IR fields. Here, some complex NSDI channels commonly happen with near-IR fields, such as the recollision-excitation-with-subsequent-ionization (RESI) channel, are virtually shut down by mid-IR fields. Besides, the finalmore » energies of the two electrons can be extremely unequal, leading to novel e-e momentum correlation spectra that can be measured experimentally.« less

Nonsequential double ionization with mid-infrared laser fields

DOE PAGES

Li, Ying -Bin; Wang, Xu; Yu, Ben -Hai; ...

2016-11-18

Using a full-dimensional Monte Carlo classical ensemble method, we present a theoretical study of atomic nonsequential double ionization (NSDI) with mid-infrared laser fields, and compare with results from near-infrared laser fields. Unlike single-electron strong-field processes, double ionization shows complex and unexpected interplays between the returning electron and its parent ion core. As a result of these interplays, NSDI for mid-IR fields is dominated by second-returning electron trajectories, instead of first-returning trajectories for near-IR fields. Here, some complex NSDI channels commonly happen with near-IR fields, such as the recollision-excitation-with-subsequent-ionization (RESI) channel, are virtually shut down by mid-IR fields. Besides, the finalmore » energies of the two electrons can be extremely unequal, leading to novel e-e momentum correlation spectra that can be measured experimentally.« less

Role of plasma electrons in the generation of a gas discharge plasma

NASA Astrophysics Data System (ADS)

Gruzdev, V. A.; Zalesski, V. G.; Rusetski, I. S.

2012-12-01

The role of different ionization mechanisms in penning-type gas discharges used to generate an emitting plasma in plasma electron sources is considered. It is shown that, under certain conditions, a substantial contribution to the process of gas ionization is provided by plasma electrons.

Miniature Free-Space Electrostatic Ion Thrusters

NASA Technical Reports Server (NTRS)

Hartley, Frank T.; Stephens, James B.

2006-01-01

A miniature electrostatic ion thruster is proposed for maneuvering small spacecraft. In a thruster based on this concept, one or more propellant gases would be introduced into an ionizer based on the same principles as those of the device described in an earlier article, "Miniature Bipolar Electrostatic Ion Thruster". On the front side, positive ions leaving an ionizer element would be accelerated to high momentum by an electric field between the ionizer and an accelerator grid around the periphery of the concave laminate structure. On the front side, electrons leaving an ionizer element would be ejected into free space by a smaller accelerating field. The equality of the ion and electron currents would eliminate the need for an additional electron- or ion-emitting device to keep the spacecraft charge-neutral. In a thruster design consisting of multiple membrane ionizers in a thin laminate structure with a peripheral accelerator grid, the direction of thrust could then be controlled (without need for moving parts in the thruster) by regulating the supply of gas to specific ionizer.

Resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy of p-vinylaniline

NASA Astrophysics Data System (ADS)

Tzeng, Sheng Yuan; Dong, Changwu; Tzeng, Wen Bih

2012-10-01

We report the vibronic and cation spectra of p-vinylaniline, which are recorded by using the resonant two-photon ionization and the mass-analyzed threshold ionization spectroscopic techniques. The band origin of the S1 ← S0 electronic transition appears at 31,490 ± 2 cm-1 and the adiabatic ionization energy is determined to be 59,203 ± 5 cm-1. Due to the nature of the substituent, the amino and vinyl groups lead to lower electronic excitation and ionization energies by a few thousand wave numbers. Most of the observed active modes result from the in-plane ring deformation and substituent-sensitive vibrations of this molecule in the electronically excited S1 and cationic ground D0 states. By comparing the frequencies of the observed active vibrations, one may conclude that the molecular geometry and the vibrational coordinates of these modes of the p-vinylaniline cation in the D0 state resemble those of the neutral species in the S1 state.

Two-color ionization injection using a plasma beatwave accelerator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schroeder, C. B.; Benedetti, C.; Esarey, E.

Two-color laser ionization injection is a method to generate ultra-low emittance (sub-100 nm transverse normalized emittance) beams in a laser-driven plasma accelerator. A plasma beatwave accelerator is proposed to drive the plasma wave for ionization injection, where the beating of the lasers effectively produces a train of long-wavelength pulses. The plasma beatwave accelerator excites a large amplitude plasma wave with low peak laser electric fields, leaving atomically-bound electrons with low ionization potential. A short-wavelength, low-amplitude ionization injection laser pulse (with a small ponderomotive force and large peak electric field) is used to ionize the remaining bound electrons at a wakemore » phase suitable for trapping, generating an ultra-low emittance electron beam that is accelerated in the plasma wave. Using a plasma beatwave accelerator for wakefield excitation, compared to short-pulse wakefield excitation, allows for a lower amplitude injection laser pulse and, hence, a lower emittance beam may be generated.« less

Two-color ionization injection using a plasma beatwave accelerator

DOE PAGES

Schroeder, C. B.; Benedetti, C.; Esarey, E.; ...

2018-01-10

Two-color laser ionization injection is a method to generate ultra-low emittance (sub-100 nm transverse normalized emittance) beams in a laser-driven plasma accelerator. A plasma beatwave accelerator is proposed to drive the plasma wave for ionization injection, where the beating of the lasers effectively produces a train of long-wavelength pulses. The plasma beatwave accelerator excites a large amplitude plasma wave with low peak laser electric fields, leaving atomically-bound electrons with low ionization potential. A short-wavelength, low-amplitude ionization injection laser pulse (with a small ponderomotive force and large peak electric field) is used to ionize the remaining bound electrons at a wakemore » phase suitable for trapping, generating an ultra-low emittance electron beam that is accelerated in the plasma wave. Using a plasma beatwave accelerator for wakefield excitation, compared to short-pulse wakefield excitation, allows for a lower amplitude injection laser pulse and, hence, a lower emittance beam may be generated.« less

Explosive Chromospheric Evaporation and Warm Rain in a GOES C3 Flare Observed by IRIS, Hinode/EIS, and RHESSI

NASA Astrophysics Data System (ADS)

Brosius, J. W.; Inglis, A. R.

2017-12-01

IRIS and Hinode/EIS observed a C3.1 flare in AR 12002 in stare mode on 2014 March 15.GOES observed the flare to start at 00:21:35 UT and peak at 00:26:30 UT. The IRIS slitwas pointed near the center of the flare while the EIS slit was pointed 35 arcsec westof the IRIS slit. About 4 minutes before the GOES flare start, the C II and Si IV lineintensities observed by IRIS became (and remained) significantly greater than theirpre-flare average values; this indicates that the flare had begun and that thechromosphere and transition region were involved. IRIS first detected significant,blueshifted Fe XXI emission at 00:22:42 UT, by which time the C II and Si IV lineintensities had increased by factors around 100 and their profiles were significantlyredshifted. This combination of simultaneous, cospatial blueshifted Fe XXI emissionwith redshifted C II and Si IV emission indicates explosive chromospheric evaporation.SDO's HMI observed a localized area of enhanced magnetic field strength toward thesouthernmost portion of the EIS slit's position that appears to be connected to theflare site by faint loops evident in AIA 131 A emission. EIS spectra at this locationreveal intensity enhancements by factors up to about 1.7 in the Fe XIV and Fe XVI lineemission, and the emergence of faint Fe XXIII emission that is too weak to measurevelocities. Emission lines from the two coronal ions show redshifts of about 9 km/saround 00:24:00 UT. The density sensitive line intensity ratio of Fe XIV 264.7/274.2observed by EIS reveals an increase of electron density from (1.03+/-0.20)X10^9 /cm^3before the flare to (3.58+/-0.68)X10^9 /cm^3 during the flare. This combination ofredshifted coronal line emission and increased coronal electron density is consistentwith explosively evaporated flare material observed by IRIS falling as warm rain andaccumulating in the remote area observed by EIS. A thermal/nonthermal fit to the hardX-ray spectrum observed by RHESSI yields a nonthermal energy injection rate of4.9X10^26 ergs/s; combining this with an estimated injection area of (2.1+/-1.7)X10^17cm^2 based on IRIS slit-jaw images, we estimate a HXR beam energy flux of(6.7+/-5.5)X10^9 ergs/cm^2/s, a wide range whose larger values are consistent withexplosive chromospheric evaporation.

Time-dependent quantum chemistry of laser driven many-electron molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen-Dang, Thanh-Tung; Couture-Bienvenue, Étienne; Viau-Trudel, Jérémy

2014-12-28

A Time-Dependent Configuration Interaction approach using multiple Feshbach partitionings, corresponding to multiple ionization stages of a laser-driven molecule, has recently been proposed [T.-T. Nguyen-Dang and J. Viau-Trudel, J. Chem. Phys. 139, 244102 (2013)]. To complete this development toward a fully ab-initio method for the calculation of time-dependent electronic wavefunctions of an N-electron molecule, we describe how tools of multiconfiguration quantum chemistry such as the management of the configuration expansion space using Graphical Unitary Group Approach concepts can be profitably adapted to the new context, that of time-resolved electronic dynamics, as opposed to stationary electronic structure. The method is applied tomore » calculate the detailed, sub-cycle electronic dynamics of BeH{sub 2}, treated in a 3–21G bound-orbital basis augmented by a set of orthogonalized plane-waves representing continuum-type orbitals, including its ionization under an intense λ = 800 nm or λ = 80 nm continuous-wave laser field. The dynamics is strongly non-linear at the field-intensity considered (I ≃ 10{sup 15} W/cm{sup 2}), featuring important ionization of an inner-shell electron and strong post-ionization bound-electron dynamics.« less

Variability of a Stellar Corona on a Time Scale of Days: Evidence for Abundance Fractionation in an Emerging Coronal Active Region

NASA Technical Reports Server (NTRS)

Nordon, R.; Behar, E.; Drake, S. A.

2013-01-01

Elemental abundance effects in active coronae have eluded our understanding for almost three decades, since the discovery of the first ionization potential (FIP) effect on the sun. The goal of this paper is to monitor the same coronal structures over a time interval of six days and resolve active regions on a stellar corona through rotational modulation. We report on four iso-phase X-ray spectroscopic observations of the RS CVn binary EI Eri with XMM-Newton, carried out approximately every two days, to match the rotation period of EI Eri. We present an analysis of the thermal and chemical structure of the EI Eri corona as it evolves over the six days. Although the corona is rather steady in its temperature distribution, the emission measure and FIP bias both vary and seem to be correlated. An active region, predating the beginning of the campaign, repeatedly enters into our view at the same phase as it rotates from beyond the stellar limb. As a result, the abundances tend slightly, but consistently, to increase for high FIP elements (an inverse FIP effect) with phase. We estimate the abundance increase of high FIP elements in the active region to be of about 75% over the coronal mean. This observed fractionation of elements in an active region on time scales of days provides circumstantial clues regarding the element enrichment mechanism of non-flaring stellar coronae.

Efficient approach for the detection and identification of new androgenic metabolites by applying SRM GC-CI-MS/MS: a methandienone case study.

PubMed

Polet, Michael; Van Gansbeke, Wim; Van Eenoo, Peter; Deventer, Koen

2016-07-01

Identification of anabolic androgenic steroids (AAS) is a vital issue in doping control and toxicology, and searching for metabolites with longer detection times remains an important task. Recently, a gas chromatography chemical ionization triple quadrupole mass spectrometry (GC-CI-MS/MS) method was introduced, and CI, in comparison with electron ionization (EI), proved to be capable of increasing the sensitivity significantly. In addition, correlations between AAS structure and fragmentation behavior could be revealed. This enables the search for previously unknown but expected metabolites by selection of their predicted transitions. The combination of both factors allows the setup of an efficient approach to search for new metabolites. The approach uses selected reaction monitoring which is inherently more sensitive than full scan or precursor ion scan. Additionally, structural information obtained from the structure specific CI fragmentation pattern facilitates metabolite identification. The procedure was demonstrated by a methandienone case study. Its metabolites have been studied extensively in the past, and this allowed an adequate evaluation of the efficiency of the approach. Thirty three metabolites were detected, including all relevant previously discovered metabolites. In our study, the previously reported long-term metabolite (18-nor-17β-hydroxymethyl,17α-methyl-androst-1,4,13-trien-3-one) could be detected up to 26 days by using GC-CI-MS/MS. The study proves the validity of the approach to search for metabolites of new synthetic AAS and new long-term metabolites of less studied AAS and illustrates the increase in sensitivity by using CI. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

A new challenge in forensic toxicology exemplified by a case of murder under the influence of a synthetic cannabinoid - AM-2201.

PubMed

Rojek, Sebastian; Kłys, Małgorzata; Maciów-Głąb, Martyna; Kula, Karol

2017-07-01

Among new psychoactive substances (NPS) available on the narcotic market, a significant number consists of synthetic cannabinoids commonly known as smokable herbal "spice" and "K2", and which are legally treated as a legal alternative to marijuana. The dearth of information on the pharmacology of these intoxicants as they are introduced into the market has created the urgent need among healthcare providers for case studies on the substances belonging to this group, both in terms of the consequences of using such intoxicants, and in methods of detection. The subject of the present report is a multi-parameter analysis of a criminal case of an 18-year-old male who was charged with murder of his female relative and attempted murder of two other victims by stabbing. The defendant pleaded guilty, but he claimed that he had been acting without volition, because he was under the influence of the synthetic cannabinoid AM-2201, which had been purchased from a dealer as a 10g package labelled "Mr Green - No bad trip". Analytical methods including gas chromatography - electron ionization - quadrupole ion trap mass spectrometry (GC-EI-QIT/MS) and liquid chromatography, electrospray ionization, tandem mass spectrometry (LC-ESI-MS-MS) were developed to determine the presence of AM-2201 in the Mr Green - No Bad Trip, and in the blood of the perpetrator, respectively. Toxicological findings are discussed in the context of psychoactive and adverse physical effects resulting from the presence of AM-2201 in the human body; the observations were also analyzed in conjunction with data from the literature. Copyright © 2017. Published by Elsevier B.V.

Fragmentation pathways of tungsten hexacarbonyl clusters upon electron ionization.

PubMed

Neustetter, M; Jabbour Al Maalouf, E; Limão-Vieira, P; Denifl, S

2016-08-07

Electron ionization of neat tungsten hexacarbonyl (W(CO)6) clusters has been investigated in a crossed electron-molecular beam experiment coupled with a mass spectrometer system. The molecule is used for nanofabrication processes through electron beam induced deposition and ion beam induced deposition techniques. Positive ion mass spectra of W(CO)6 clusters formed by electron ionization at 70 eV contain the ion series of the type W(CO)n (+) (0 ≤ n ≤ 6) and W2(CO)n (+) (0 ≤ n ≤ 12). In addition, a series of peaks are observed and have been assigned to WC(CO)n (+) (0 ≤ n ≤ 3) and W2C(CO)n (+) (0 ≤ n ≤ 10). A distinct change of relative fragment ion intensity can be observed for clusters compared to the single molecule. The characteristic fragmentation pattern obtained in the mass spectra can be explained by a sequential decay of the ionized organometallic, which is also supported by the study of the clusters when embedded in helium nanodroplets. In addition, appearance energies for the dissociative ionization channels for singly charged ions have been estimated from experimental ion efficiency curves.

Pulse length of ultracold electron bunches extracted from a laser cooled gas

PubMed Central

Franssen, J. G. H.; Frankort, T. L. I.; Vredenbregt, E. J. D.; Luiten, O. J.

2017-01-01

We present measurements of the pulse length of ultracold electron bunches generated by near-threshold two-photon photoionization of a laser-cooled gas. The pulse length has been measured using a resonant 3 GHz deflecting cavity in TM110 mode. We have measured the pulse length in three ionization regimes. The first is direct two-photon photoionization using only a 480 nm femtosecond laser pulse, which results in short (∼15 ps) but hot (∼104 K) electron bunches. The second regime is just-above-threshold femtosecond photoionization employing the combination of a continuous-wave 780 nm excitation laser and a tunable 480 nm femtosecond ionization laser which results in both ultracold (∼10 K) and ultrafast (∼25 ps) electron bunches. These pulses typically contain ∼103 electrons and have a root-mean-square normalized transverse beam emittance of 1.5 ± 0.1 nm rad. The measured pulse lengths are limited by the energy spread associated with the longitudinal size of the ionization volume, as expected. The third regime is just-below-threshold ionization which produces Rydberg states which slowly ionize on microsecond time scales. PMID:28396879

Localized heating of electrons in ionization zones: Going beyond the Penning-Thornton paradigm in magnetron sputtering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anders, Andre

2014-12-07

The fundamental question of how energy is supplied to a magnetron discharge is commonly answered by the Penning-Thornton paradigm invoking secondary electrons. Huo et al. (Plasma Sources Sci. Technol. 22, 045005, (2013)) used a global discharge model to show that electron heating in the electric field of the magnetic presheath is dominant. In this contribution, this concept is applied locally taking into account the electric potential structure of ionization zones. Images of ionization zones can and should be interpreted as diagrams of the localization of electric potential and related electron energy, where certain collisions promote or dampen their formation.

Total Ionizing Dose and Displacement Damage Compendium of Candidate Spacecraft Electronics for NASA

NASA Technical Reports Server (NTRS)

Cochran, Donna J.; Chen, Dakai; Oldham, Timothy R.; Sanders, Anthony B.; Kim, Hak S.; Campola, Michael J.; Buchner, Stephen P.; LaBel, Kenneth A.; Marshall, Cheryl J.; Pellish, Jonathan A.;

Corrosion product layers on magnesium alloys AZ31 and AZ61: Surface chemistry and protective ability

NASA Astrophysics Data System (ADS)

Feliu, S.; Llorente, I.

2015-08-01

This paper studies the chemical composition of the corrosion product layers formed on magnesium alloys AZ31 and AZ61 following immersion in 0.6 M NaCl, with a view to better understanding their protective action. Relative differences in the chemical nature of the layers were quantified by X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), energy dispersive analysis of X-ray (EDX) and low-angle X-ray diffraction (XRD). Corrosion behavior was investigated by Electrochemical Impedance Spectroscopy (EIS) and hydrogen evolution measurement. An inhibitive effect from the corrosion product layers was observed from EIS, principally in the case of AZ31, as confirmed by hydrogen evolution tests. A link was found between carbonate enrichment observed by XPS in the surface of the corrosion product layer, concomitant with the increase in the protective properties observed by EIS.

An (e, 2e+ ion) study of electron-impact ionization and fragmentation of tetrafluoromethane at low energies

NASA Astrophysics Data System (ADS)

Hossen, Khokon; Ren, Xueguang; Wang, Enliang; Kumar, S. V. K.; Dorn, Alexander

2018-03-01

We study ionization and fragmentation of tetrafluoromethane (CF4) molecule induced by electron impact at low energies ( E 0 = 38 and 67 eV). We use a reaction microscope combined with a pulsed photoemission electron beam for our experimental investigation. The momentum vectors of the two outgoing electrons (energies E 1, E 2) and one fragment ion are detected in triple coincidence (e, 2e+ ion). After dissociation, the fragment products observed are CF3 +, CF2 +, CF+, F+ and C+. For CF3 + and CF2 + channels, we measure the ionized orbitals binding energies, the kinetic energy (KE) of the charged fragments and the two-dimensional (2D) correlation map between binding energy (BE) and KE of the fragments. From the BE and KE spectra, we conclude which molecular orbitals contribute to particular fragmentation channels of CF4. We also measure the total ionization cross section for the formation of CF3 + and CF2 + ions as function of projectile energy. We compare our results with earlier experiments and calculations for electron-impact and photoionization. The major contribution to CF3 + formation originates from ionization of the 4t2 orbital while CF2 + is mainly formed after 3t2 orbital ionization. We also observe a weak contribution of the (4a1)-1 state for the channel CF3 +.

Complete solution of electronic excitation and ionization in electron-hydrogen molecule scattering

DOE PAGES

Zammit, Mark C.; Savage, Jeremy S.; Fursa, Dmitry V.; ...

2016-06-08

The convergent close-coupling method has been used to solve the electron-hydrogen molecule scattering problem in the fixed-nuclei approximation. Excellent agreement with experiment is found for the grand total, elastic, electronic-excitation, and total ionization cross sections from the very low to the very high energies. This shows that for the electronic degrees of freedom the method provides a complete treatment of electron scattering on molecules as it does for atoms.

PIC simulations of post-pulse field reversal and secondary ionization in nanosecond argon discharges

NASA Astrophysics Data System (ADS)

Kim, H. Y.; Gołkowski, M.; Gołkowski, C.; Stoltz, P.; Cohen, M. B.; Walker, M.

2018-05-01

Post-pulse electric field reversal and secondary ionization are investigated with a full kinetic treatment in argon discharges between planar electrodes on nanosecond time scales. The secondary ionization, which occurs at the falling edge of the voltage pulse, is induced by charge separation in the bulk plasma region. This process is driven by a reverse in the electric field from the cathode sheath to the formerly driven anode. Under the influence of the reverse electric field, electrons in the bulk plasma and sheath regions are accelerated toward the cathode. The electron movement manifests itself as a strong electron current generating high electron energies with significant electron dissipated power. Accelerated electrons collide with Ar molecules and an increased ionization rate is achieved even though the driving voltage is no longer applied. With this secondary ionization, in a single pulse (SP), the maximum electron density achieved is 1.5 times higher and takes a shorter time to reach using 1 kV 2 ns pulse as compared to a 1 kV direct current voltage at 1 Torr. A bipolar dual pulse excitation can increase maximum density another 50%–70% above a SP excitation and in half the time of RF sinusoidal excitation of the same period. The first field reversal is most prominent but subsequent field reversals also occur and correspond to electron temperature increases. Targeted pulse designs can be used to condition plasma density as required for fast discharge applications.

Electronic structures of elements according to ionization energies.

PubMed

Zadeh, Dariush H

2017-11-28

The electronic structures of elements in the periodic table were analyzed using available experimental ionization energies. Two new parameters were defined to carry out the study. The first parameter-apparent nuclear charge (ANC)-quantified the overall charge of the nucleus and inner electrons observed by an outer electron during the ionization process. This parameter was utilized to define a second parameter, which presented the shielding ability of an electron against the nuclear charge. This second parameter-electron shielding effect (ESE)-provided an insight into the electronic structure of atoms. This article avoids any sort of approximation, interpolation or extrapolation. First experimental ionization energies were used to obtain the two aforementioned parameters. The second parameter (ESE) was then graphed against the electron number of each element, and was used to read the corresponding electronic structure. The ESE showed spikes/peaks at the end of each electronic shell, providing insight into when an electronic shell closes and a new one starts. The electronic structures of elements in the periodic table were mapped using this methodology. These graphs did not show complete agreement with the previously known "Aufbau" filling rule. A new filling rule was suggested based on the present observations. Finally, a new way to organize elements in the periodic table is suggested. Two earlier topics of effective nuclear charge, and shielding factor were also briefly discussed and compared numerically to demonstrate the capability of the new approach.

Penicillin biosensor based on a capacitive field-effect structure functionalized with a dendrimer/carbon nanotube multilayer.

PubMed

Siqueira, José R; Abouzar, Maryam H; Poghossian, Arshak; Zucolotto, Valtencir; Oliveira, Osvaldo N; Schöning, Michael J

2009-10-15

Silicon-based sensors incorporating biomolecules are advantageous for processing and possible biological recognition in a small, reliable and rugged manufactured device. In this study, we report on the functionalization of field-effect (bio-)chemical sensors with layer-by-layer (LbL) films containing single-walled carbon nanotubes (SWNTs) and polyamidoamine (PAMAM) dendrimers. A capacitive electrolyte-insulator-semiconductor (EIS) structure modified with carbon nanotubes (EIS-NT) was built, which could be used as a penicillin biosensor. From atomic force microscopy (AFM) and field-emission scanning electron microscopy (FESEM) images, the LbL films were shown to be highly porous due to interpenetration of SWNTs into the dendrimer layers. Capacitance-voltage (C/V) measurements pointed to a high pH sensitivity of ca. 55 mV/pH for the EIS-NT structures. The biosensing ability towards penicillin of an EIS-NT-penicillinase biosensor was also observed as the flat-band voltage shifted to lower potentials at different penicillin concentrations. A dynamic response of penicillin concentrations, ranging from 5.0 microM to 25 mM, was evaluated for an EIS-NT with the penicillinase enzyme immobilized onto the surfaces, via constant-capacitance (ConCap) measurements, achieving a sensitivity of ca. 116 mV/decade. The presence of the nanostructured PAMAM/SWNT LbL film led to sensors with higher sensitivity and better performance.

Chapter 6 Quantum Mechanical Methods for Loss-Excitation and Loss-Ionization in Fast Ion-Atom Collisions

NASA Astrophysics Data System (ADS)

Belkic, Dzevad

Inelastic collisions between bare nuclei and hydrogen-like atomic systems are characterized by three main channels: electron capture, excitation, and ionization. Capture dominates at lower energies, whereas excitation and ionization prevail at higher impact energies. At intermediate energies and in the region of resonant scattering near the Massey peak, all three channels become competitive. For dressed or clothed nuclei possessing electrons, such as hydrogen-like ions, several additional channels open up, including electron loss (projectile ionization or stripping). The most important aspect of electron loss is the competition between one- and two-electron processes. Here, in a typical one-electron process, the projectile emits an electron, whereas the target final and initial states are the same. A prototype of double-electron transitions in loss processes is projectile ionization accompanied with an alteration of the target state. In such a two-electron process, the target could be excited or ionized. The relative importance of these loss channels with single- and double-electron transitions involving collisions of dressed projectiles with atomic systems is also strongly dependent on the value of the impact energy. Moreover, impact energies determine which theoretical method is likely to be more appropriate to use for predictions of cross sections. At low energies, an expansion of total scattering wave functions in terms of molecular orbitals is adequate. This is because the projectile spends considerable time in the vicinity of the target, and as a result, a compound system comprised of the projectile and the target can be formed in a metastable molecular state which is prone to decay. At high energies, a perturbation series expansion is more appropriate in terms of powers of interaction potentials. In the intermediate energy region, atomic orbitals are often used with success while expanding the total scattering wave functions. The present work is focused on quantum mechanical perturbation theories applied to electron loss collisions involving two hydrogen-like atoms. Both the one- and two-electron transitions (target unaffected by collision, as well as loss-ionization) are thoroughly examined in various intervals of impact energies varying from the threshold via the Massey peak to the Bethe asymptotic region. Systematics are established for the fast, simple, and accurate computations of cross sections for loss-excitation and loss-ionization accounting for the entire spectra of all four particles, including two free electrons and two free protons. The expounded algorithmic strategy of quantum mechanical methodologies is of great importance for wide applications to particle transport physics, especially in fusion research and hadron radiotherapy. This should advantageously replace the current overwhelming tendency in these fields for using phenomenological modeling with artificial functions extracted from fitting the existing experimental/theoretical data bases for cross sections.

Heater-induced ionization inferred from spectrometric airglow measurements

NASA Astrophysics Data System (ADS)

Hysell, D. L.; Miceli, R. J.; Varney, R. H.; Schlatter, N.; Huba, J. D.

2013-12-01

Spectrographic airglow measurements were made during an ionospheric modification experiment at HAARP on March 12, 2013. Artificial airglow enhancements at 427.8, 557.7, 630.0, 777.4, and 844.6 nm were observed. On the basis of these emissions and using a methodology based on the method of Backus and Gilbert [1968, 1970], we estimate the suprathermal electron population and the subsequent equilibrium electron density profile, including contributions from electron impact ionization. We find that the airglow is consistent with significant induced ionization in view of the spatial intermittency of the airglow.

Generation of electron vortex states in ionization by intense and short laser pulses

NASA Astrophysics Data System (ADS)

Vélez, F. Cajiao; Krajewska, K.; Kamiński, J. Z.

2018-04-01

The generation of electron vortex states in ionization by intense and short laser pulses is analyzed under the scope of the lowest-order Born approximation. For near-infrared laser fields and nonrelativistic intensities of the order of 1016 W /cm2 , we show that one has to modify the nonrelativistic treatment of ionization by accounting for recoil and relativistic mass corrections. By using the corrected quasirelativistic theory, the requirements for the observation of electron vortex states with non-negligible probability and large topological charge are determined.

Recollision induced excitation-ionization with counter-rotating two-color circularly polarized laser field

NASA Astrophysics Data System (ADS)

Ben, Shuai; Guo, Pei-Ying; Pan, Xue-Fei; Xu, Tong-Tong; Song, Kai-Li; Liu, Xue-Shen

2017-07-01

Nonsequential double ionization of Ar by a counter-rotating two-color circularly polarized laser field is theoretically investigated. At the combined intensity in the "knee" structure range, the double ionization occurs mainly through recollision induced excitation followed by subsequent ionization of Ar+∗ . By tracing the history of the recollision trajectories, we explain how the relative intensity ratio of the two colors controls the correlated electron dynamics and optimizes the ionization yields. The major channels contributing to enhancing the double ionization are through the elliptical trajectories with smaller travel time but not through the triangle shape or the other long cycle trajectories. Furthermore, the correlated electron dynamics could be limited to the attosecond time scale by adjusting the relative intensity ratio. Finally, the double ionization from doubly excited complex at low laser intensity is qualitatively discussed.

Ionization equilibrium and radiative energy loss rates for C, N, and O ions in low-density plasmas

NASA Technical Reports Server (NTRS)

Jacobs, V. L.; Davis, J.; Rogerson, J. E.; Blaha, M.

1978-01-01

The results of calculations of the ionization equilibrium and radiative energy loss rates for C, N and O ions in low-density plasmas are presented for electron temperatures in the range 10,000-10,000,000 K. The ionization structure is determined by using the steady-state corona model, in which electron impact ionization from the ground states is balanced by direct radiative and dielectronic recombination. With an improved theory, detailed calculations are carried out for the dielectronic recombination rates in which account is taken of all radiative and autoionization processes involving a single-electron electric-dipole transition of the recombining ion. The radiative energy loss processes considered are electron-impact excitation of resonance line emission, direct radiative recombination, dielectronic recombination, and electron-ion bremsstrahlung. For all three elements, resonance line emission resulting from 2s-2p transitions produces a broad maximum in the energy loss rate near 100,000 K.

Energetic electrons in the midlatitude nighttime E region

NASA Technical Reports Server (NTRS)

Smith, L. G.; Geller, M. A.; Voss, H. D.

1973-01-01

Nike Apache 14.439 was launched from Wallops Island at 0003 EST on 1 November 1972, a very disturbed night (K sub P = 8). A Geiger counter in the payload detected electrons ( keV) with a maximum flux of 1086 + or -261/sq cm/sec/ster. The height-averaged ionization rate in the upper E region is calculated from the measured electron density profile and has a value of 35 1/cu/cm/sec. The ionization rate can be reconciled with the observed flux of electrons ( 70 2 keV) if the spectrum ( keV) is of the form J ( E) = J sub O exp(-E/E sub O) with E sub O equal to 8.3 keV. The ionization rate on this and other nights is found to be strongly dependent on geomagnetic activity. It is suggested that energetic electrons are the principal source of ionization at midlatitudes in the upper E region near midnight, even under rather quiet geomagnetic conditions.

Deceleration processes of secondary electrons produced by a high-energy Auger electron in a biological context.

PubMed

Kai, Takeshi; Yokoya, Akinari; Ukai, Masatoshi; Fujii, Kentaro; Watanabe, Ritsuko

2016-11-01

To simulate the deceleration processes of secondary electrons produced by a high-energy Auger electron in water, and particularly to focus on the spatial and temporal distributions of the secondary electron and the collision events (e.g. ionization, electronic excitation, and dissociative electron attachment) that are involved in the multiplication of lesions at sites of DNA damage. We developed a dynamic Monte Carlo code that considers the Coulombic force between an ejected electron and its parent cation produced by the Auger electron in water. Thus our code can simulate some return electrons to the parent cations. Using the code, we calculated to within the order of femtoseconds the temporal evolution of collision events, the mean energy, and the mean traveling distance (including its spatial probability distribution) of the electron at an ejected energy of 20 eV. Some of the decelerating electrons in water in the Coulombic field were attracted to the ionized atoms (cations) by the Coulombic force within hundreds of femtoseconds, although the force did not significantly enhance the number of ionization, electronic excitation, and dissociative electron attachment collision events leading to water radiolysis. The secondary electrons are decelerated in water by the Coulombic force and recombined to the ionized atoms (cations). Furthermore, the some return electrons might be prehydrated in water layer near the parent cation in DNA if the electrons might be emitted from the DNA. The prehydrated electron originated from the return electron might play a significant role in inducing DNA damage.

The Importance of Electron Source Population to the Remarkable Enhancement of Radiation belt Electrons during the October 2012 Storm

NASA Astrophysics Data System (ADS)

Tu, W.; Cunningham, G.; Reeves, G. D.; Chen, Y.; Henderson, M. G.; Blake, J. B.; Baker, D. N.; Spence, H.

2013-12-01

During the October 8-9 2012 storm, the MeV electron fluxes in the heart of the outer radiation belt are first wiped out then exhibit a three-orders-of-magnitude increase on the timescale of hours, as observed by the MagEIS and REPT instruments aboard the Van Allen Probes. There is strong observational evidence that the remarkable enhancement is due to local acceleration by chorus waves, as shown in the recent Science paper by Reeves et al.1. However, the importance of the dynamic electron source population transported in from the plasma sheet, to the observed remarkable enhancement, has not been studied. We illustrate the importance of the source population with our simulation of the event using the DREAM 3D diffusion model. Three new modifications have been implemented in the model: 1) incorporating a realistic and time-dependent low-energy boundary condition at 100 keV obtained from the MagEIS data; 2) utilizing event-specific chorus wave distributions derived from the low-energy electron precipitation observed by POES and validated against the in situ wave data from EMFISIS; 3) using an ';open' boundary condition at L*=11 and implementing electron lifetimes on the order of the drift period outside the solar-wind driven last closed drift shell. The model quantitatively reproduces the MeV electron dynamics during this event, including the fast dropout at the start of Oct. 8th, low electron flux during the first Dst dip, and the remarkable enhancement peaked at L*=4.2 during the second Dst dip. By comparing the model results with realistic source population against those with constant low-energy boundary (see figure), we find that the realistic electron source population is critical to reproduce the observed fast and significant increase of MeV electrons. 1Reeves, G. D., et al. (2013), Electron Acceleration in the Heart of the Van Allen Radiation Belts, Science, DOI:10.1126/science.1237743. Comparison between data and model results during the October 2012 storm for electrons at μ=3168 MeV/G and K=0.1 G1/2Re. Top plot is the electron phase space density data measured by the two Van Allen Probes; middle plot shows the results from the DREAM 3D diffusion model with a realistic electron source population derived from MagEIS data; and the bottom plot is the model results with a constant source population.

Modeling the gain of inner-shell X-ray laser transitions in neon, argon, and copper driven by X-ray free electron laser radiation using photo-ionization and photo-excitation processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nilsen, Joseph

2015-12-16

Using an X-ray free electron laser (XFEL) at 960 eV to photo-ionize the 1s electron in neutral neon followed by lasing on the 2p-1s transition in singly-ionized neon, an inner-shell X-ray laser was demonstrated at 849 eV in singly-ionized neon gas several years ago. It took decades to demonstrate this scheme, because it required a very strong X-ray source that could photo-ionize the 1s (K shell) electron in neon on a timescale comparable to the intrinsic Auger lifetime in neon of 2 fs. In this paper, we model the neon inner shell X-ray laser under similar conditions to those usedmore » in the XFEL experiments at the SLAC Linac Coherent Light Source (LCLS), and show how we can improve the efficiency of the neon laser and reduce the drive requirements by tuning the XFEL to the 1s-3p transition in neutral neon in order to create gain on the 2p-1s line in neutral neon. We also show how the XFEL could be used to photo-ionize L-shell electrons to drive gain on n = 3–2 transitions in singly-ionized Ar and Cu plasmas. Furthermore, these bright, coherent, and monochromatic X-ray lasers may prove very useful for doing high-resolution spectroscopy and for studying non-linear process in the X-ray regime.« less

Electron impact ionization in plasma technologies; studies on atomic boron and BN molecule

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joshi, Foram M., E-mail: foram29@gmail.com; Joshipura, K. N., E-mail: knjoshipura22@gmail.com; Chaudhari, Asha S., E-mail: ashaschaudhari@gmail.com

2016-05-06

Electron impact ionization plays important role in plasma technologies. Relevant cross sections on atomic boron are required to understand the erosion processes in fusion experiments. Boronization of plasma exposed surfaces of tokomaks has proved to be an effective way to produce very pure fusion plasmas. This paper reports comprehensive theoretical investigations on electron scattering with atomic Boron and Boron Nitride in solid phases. Presently we determine total ionization cross-section Q{sub ion} and the summed-electronic excitation cross section ΣQ{sub exc} in a standard quantum mechanical formalism called SCOP and CSP-ic methods. Our calculated cross sections are examined as functions of incidentmore » electron energy along with available comparisons.« less

Dosimetry for electron Intra-Operative RadioTherapy: Comparison of output factors obtained through alanine/EPR pellets, ionization chamber and Monte Carlo-GEANT4 simulations for IORT mobile dedicate accelerator

NASA Astrophysics Data System (ADS)

Marrale, Maurizio; Longo, Anna; Russo, Giorgio; Casarino, Carlo; Candiano, Giuliana; Gallo, Salvatore; Carlino, Antonio; Brai, Maria

2015-09-01

In this work a comparison between the response of alanine and Markus ionization chamber was carried out for measurements of the output factors (OF) of electron beams produced by a linear accelerator used for Intra-Operative Radiation Therapy (IORT). Output factors (OF) for conventional high-energy electron beams are normally measured using ionization chamber according to international dosimetry protocols. However, the electron beams used in IORT have characteristics of dose per pulse, energy spectrum and angular distribution quite different from beams usually used in external radiotherapy, so the direct application of international dosimetry protocols may introduce additional uncertainties in dosimetric determinations. The high dose per pulse could lead to an inaccuracy in dose measurements with ionization chamber, due to overestimation of ks recombination factor. Furthermore, the electron fields obtained with IORT-dedicated applicators have a wider energy spectrum and a wider angular distribution than the conventional fields, due to the presence of electrons scattered by the applicator's wall. For this reason, a dosimetry system should be characterized by a minimum dependence from the beam energy and from angle of incidence of electrons. This become particularly critical for small and bevelled applicators. All of these reasons lead to investigate the use of detectors different from the ionization chamber for measuring the OFs. Furthermore, the complete characterization of the radiation field could be accomplished also by the use of Monte Carlo simulations which allows to obtain detailed information on dose distributions. In this work we compare the output factors obtained by means of alanine dosimeters and Markus ionization chamber. The comparison is completed by the Monte Carlo calculations of OFs determined through the use of the Geant4 application "iort _ therapy" . The results are characterized by a good agreement of response of alanine pellets and Markus ionization chamber and Monte Carlo results (within about 3%) for both flat and bevelled applicators.

E-beam ionized channel guiding of an intense relativistic electron beam

DOEpatents

Frost, Charles A.; Godfrey, Brendon B.; Kiekel, Paul D.; Shope, Steven L.

1988-01-01

An IREB is guided through a curved path by ionizing a channel in a gas with electrons from a filament, and confining the electrons to the center of the path with a magnetic field extending along the path. The magnetic field is preferably generated by a solenoid extending along the path.

Trends in Ionization Energy of Transition-Metal Elements

ERIC Educational Resources Information Center

Matsumoto, Paul S.

2005-01-01

A rationale for the difference in the periodic trends in the ionization energy of the transition-metal elements versus the main-group elements is presented. The difference is that in the transition-metal elements, the electrons enter an inner-shell electron orbital, while in the main-group elements, the electrons enter an outer-shell electron…

Influence of field emission on the propagation of cylindrical fast ionization wave in atmospheric-pressure nitrogen

DOE Office of Scientific and Technical Information (OSTI.GOV)

Levko, Dmitry; Raja, Laxminarayan L.

2016-04-21

The influence of field emission of electrons from surfaces on the fast ionization wave (FIW) propagation in high-voltage nanosecond pulse discharge in the atmospheric-pressure nitrogen is studied by a one-dimensional Particle-in-Cell Monte Carlo Collisions model. A strong influence of field emission on the FIW dynamics and plasma parameters is obtained. Namely, the accounting for the field emission makes possible the bridging of the cathode–anode gap by rather dense plasma (∼10{sup 13 }cm{sup −3}) in less than 1 ns. This is explained by the generation of runaway electrons from the field emitted electrons. These electrons are able to cross the entire gap pre-ionizingmore » it and promoting the ionization wave propagation. We have found that the propagation of runaway electrons through the gap cannot be accompanied by the streamer propagation, because the runaway electrons align the plasma density gradients. In addition, we have obtained that the field enhancement factor allows controlling the speed of ionization wave propagation.« less

Double ionization in R -matrix theory using a two-electron outer region

NASA Astrophysics Data System (ADS)

Wragg, Jack; Parker, J. S.; van der Hart, H. W.

2015-08-01

We have developed a two-electron outer region for use within R -matrix theory to describe double ionization processes. The capability of this method is demonstrated for single-photon double ionization of He in the photon energy region between 80 and 180 eV. The cross sections are in agreement with established data. The extended R -matrix with time dependence method also provides information on higher-order processes, as demonstrated by the identification of signatures for sequential double ionization processes involving an intermediate He+ state with n =2 .

Recombination of H3(+) and D3(+) Ions in a Flowing Afterglow Plasma

NASA Technical Reports Server (NTRS)

Gougousi, T.; Johnsen, R.; Golde, M. F.

1995-01-01

The analysis of flowing afterglow plasmas containing H3(+) or D3(+) ions indicates that the de-ionization of such plasmas does not occur by simple dissociative recombination of ions with electrons. An alternative model of de-ionization is proposed in which electrons are captured into H3(**) auto-ionization Rydberg states that are stabilized by collisional mixing of the Rydberg molecules' angular momenta. The proposed mechanism would enable de-ionization to occur without the need for dissociative recombination by the mechanisms of potential-surface crossings.

Negative ion source

DOEpatents

Leung, Ka-Ngo; Ehlers, Kenneth W.

1984-01-01

An ionization vessel is divided into an ionizing zone and an extraction zone by a magnetic filter. The magnetic filter prevents high-energy electrons from crossing from the ionizing zone to the extraction zone. A small positive voltage impressed on a plasma grid, located adjacent an extraction grid, positively biases the plasma in the extraction zone to thereby prevent positive ions from migrating from the ionizing zone to the extraction zone. Low-energy electrons, which would ordinarily be dragged by the positive ions into the extraction zone, are thereby prevented from being present in the extraction zone and being extracted along with negative ions by the extraction grid. Additional electrons are suppressed from the output flux using ExB drift provided by permanent magnets and the extractor grid electrical field.

Negative ion source

DOEpatents

Leung, K.N.; Ehlers, K.W.

1982-08-06

An ionization vessel is divided into an ionizing zone and an extraction zone by a magnetic filter. The magnetic filter prevents high-energy electrons from crossing from the ionizing zone to the extraction zone. A small positive voltage impressed on a plasma grid, located adjacent an extraction grid, positively biases the plasma in the extraction zone to thereby prevent positive ions from migrating from the ionizing zone to the extraction zone. Low-energy electrons, which would ordinarily be dragged by the positive ions into the extraction zone, are thereby prevented from being present in the extraction zone and being extracted along with negative ions by the extraction grid. Additional electrons are suppressed from the output flux using ExB drift provided by permanent magnets and the extractor grid electrical field.

Negative ion source

DOEpatents

Leung, K.N.; Ehlers, K.W.

1984-12-04

An ionization vessel is divided into an ionizing zone and an extraction zone by a magnetic filter. The magnetic filter prevents high-energy electrons from crossing from the ionizing zone to the extraction zone. A small positive voltage impressed on a plasma grid, located adjacent an extraction grid, positively biases the plasma in the extraction zone to thereby prevent positive ions from migrating from the ionizing zone to the extraction zone. Low-energy electrons, which would ordinarily be dragged by the positive ions into the extraction zone, are thereby prevented from being present in the extraction zone and being extracted along with negative ions by the extraction grid. Additional electrons are suppressed from the output flux using ExB drift provided by permanent magnets and the extractor grid electrical field. 14 figs.

Recent Total Ionizing Dose and Displacement Damage Compendium of Candidate Electronics for NASA Space Systems

NASA Technical Reports Server (NTRS)

Cochran, Donna J.; Boutte, Alvin J.; Campola, Michael J.; Carts, Martin A.; Casey, Megan C.; Chen, Dakai; LaBel, Kenneth A.; Ladbury, Raymond L.; Lauenstein, Jean-Marie; Marshall, Cheryl J.;

Energy of the quasi-free electron in supercritical krypton near the critical point.

PubMed

Li, Luxi; Evans, C M; Findley, G L

2005-12-01

Field ionization measurements of high-n CH(3)I and C(2)H(5)I Rydberg states doped into krypton are presented as a function of krypton number density along the critical isotherm. These data exhibit a decrease in the krypton-induced shift of the dopant ionization energy near the critical point. This change in shift is modeled to within +/-0.2% of experiment using a theory that accounts for the polarization of krypton by the dopant ion, the polarization of krypton by the quasi-free electron that arises from field ionization of the dopant, and the zero point kinetic energy of the free electron. The overall decrease in the shift of the dopant ionization energy near the critical point of krypton, which is a factor of 2 larger than that observed in argon, is dominated by the increase in the zero point kinetic energy of the quasi-free electron.

Photoionization and electron-impact ionization of Ar5+

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, J.C.; Lu, M.; Esteves, D.

2007-02-27

Absolute cross sections for photoionization andelectron-impact Photionization of Ar5+ have been measuredusing twodifferent interacting-beams setups. The spectra consist of measurementsof the yield of products dueto single ionization as a function ofelectron or photon energy. In addition, absolute photoionization andelectron-impact ionization cross sections were measured to normalize themeasured Ar6+ product-ion yield spectra. In the energy range from 90 to111 eV, both electron-impact ionization and photoionization of Ar5+aredominated by indirect 3s subshell excitation-autoionization. In theenergy range from 270 to 285 eV, resonances due to 2p-3dexcitation-autoionization are prominent in the photoionization spectrum.In the range from 225 to 335 eV, an enhancement due tomore » 2p-nl (n>2>excitations are evident in the electron-impactionization cross section.The electron and photon impact data show some features due to excitationof the same intermediate autoionizing states.« less

Electron-Impact Excitation and Ionization in Air

DTIC Science & Technology

2009-09-01

average collision frequency, is more than 100 times larger. Even in the slightly ionized regime with only 1% electrons, the frequency of electron...information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and...physics-based model of nonequilibrium chemistry and radiation in hypersonic flow, it is timely to investigate and update the electron collision cross

Simulation of Ionization Effects for High-Density Positron Drivers in future Plasma Wakefield Experiments

NASA Astrophysics Data System (ADS)

Dimitrov, D. A.; Bruhwiler, D. L.; Busby, R.; Cary, J. R.; Esarey, E.; Leemans, W.

2003-10-01

Recent particle-in-cell simulations have shown [1] that the self-fields of an electron beam driver in a plasma wakefield accelerator can tunnel ionize neutral Li, leading to plasma wake dynamics differing significantly from that of a preionized plasma. It has also been shown, for the case of a preionized plasma, that the plasma wake of a positron driver differs strongly [2] from that of an electron driver. We will present particle- in-cell simulations, using the OOPIC [3] code, showing the effects of tunneling ionization on the plasma wake generated by high-density electron and positron drivers. The results will be compared to previous work on electron drivers with tunneling ionization and positron drivers without ionization. Parameters relevant to the E-164 and E-164x experiments at SLAC will be considered. [1] D.L. Bruhwiler et al., Phys. Plasmas 10 (2003), p. 2022. [2] S. Lee et al., Phys. Rev. E 64, 045501(R) (2001). [3] D.L. Bruhwiler et al., Phys. Rev. ST-AB 4, 101302 (2001).

The use of nanomaterials for mass spectrometry can be uplifting for analyte detection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, J.; Lipson, R. H.

2014-03-31

Surface-Assisted Laser Desorption Ionization (SALDI) involves desorbing and ionizing analyte molecules from a nanoporous substrate by laser irradiation for detection in a mass spectrometer. In this work experiments were designed to better understand the mechanisms governing desorption and ionization for Desorption Ionization On Silicon (DIOS), a variant of SALDI which uses porous silicon (pSi) as a substrate. Experiments are also reported for other nanoporous semiconducting materials (WO{sub 3}, TiO{sub 2}) which exhibit very similar behaviors; specifically, that both protonated analyte ions and analyte radical cations can be generated with relative intensities that depend on the position of the incident lasermore » focus relative to substrate surface. While thermal desorption appears to be important, preliminary evidence suggests that the ionization mechanism leading to protonated analytes involves in part electrons and holes formed when photoexciting the substrate above its electronic band gap, and the presence of defect states within the band gap. Radical cation formation appears to be driven in part by electron transfer due to the large electron affinity of each substrate used in this work.« less

Dynamics of tunneling ionization using Bohmian mechanics

NASA Astrophysics Data System (ADS)

Douguet, Nicolas; Bartschat, Klaus

2018-01-01

Recent attoclock experiments and theoretical studies regarding the strong-field ionization of atoms by few-cycle infrared pulses revealed features that have attracted much attention. Here we investigate tunneling ionization and the dynamics of the electron probability using Bohmian mechanics. We consider a one-dimensional problem to illustrate the underlying mechanisms of the ionization process. It is revealed that in the major part of the below-the-barrier ionization regime, in an intense and short infrared pulse, the electron does not tunnel through the entire barrier, but rather starts already from the classically forbidden region. Moreover, we highlight the correspondence between the probability of locating the electron at a particular initial position and its asymptotic momentum. Bohmian mechanics also provides a natural definition of mean tunneling time and exit position, taking account of the time dependence of the barrier. Finally, we find that the electron can exit the barrier with significant kinetic energy, thereby corroborating the results of a recent study [N. Camus et al., Phys. Rev. Lett. 119, 023201 (2017), 10.1103/PhysRevLett.119.023201].

Use of the Bethe equation for inner-shell ionization by electron impact

DOE Office of Scientific and Technical Information (OSTI.GOV)

Powell, Cedric J.; Llovet, Xavier; Salvat, Francesc

2016-05-14

We analyzed calculated cross sections for K-, L-, and M-shell ionization by electron impact to determine the energy ranges over which these cross sections are consistent with the Bethe equation for inner-shell ionization. Our analysis was performed with K-shell ionization cross sections for 26 elements, with L-shell ionization cross sections for seven elements, L{sub 3}-subshell ionization cross sections for Xe, and M-shell ionization cross sections for three elements. The validity (or otherwise) of the Bethe equation could be checked with Fano plots based on a linearized form of the Bethe equation. Our Fano plots, which display theoretical cross sections andmore » available measured cross sections, reveal two linear regions as predicted by de Heer and Inokuti [in Electron Impact Ionization, edited by T. D. Märk and G. H. Dunn, (Springer-Verlag, Vienna, 1985), Chap. 7, pp. 232–276]. For each region, we made linear fits and determined values of the two element-specific Bethe parameters. We found systematic variations of these parameters with atomic number for both the low- and the high-energy linear regions of the Fano plots. We also determined the energy ranges over which the Bethe equation can be used.« less

Coincidence studies of He ionized by C{sup 6+}, Au{sup 24+}, and Au{sup 53+}

DOE Office of Scientific and Technical Information (OSTI.GOV)

McGovern, M.; Walters, H. R. J.; Assafrao, D.

2010-04-15

A recently developed [Phys. Rev. A 79, 042707 (2009)] impact parameter coupled pseudostate approximation (CP) is applied to calculate triple differential cross sections for single ionization of He by C{sup 6+}, Au{sup 24+}, and Au{sup 53+} projectiles at impact energies of 100 and 2 MeV/amu for C{sup 6+} and 3.6 MeV/amu for Au{sup 24+} and Au{sup 53+}. For C{sup 6+}, satisfactory, but not perfect, agreement is found with experimental measurements in coplanar geometry, but there is substantial disagreement with data taken in a perpendicular plane geometry. The CP calculations firmly contradict a projectile-nucleus interaction model which has been used tomore » support the perpendicular plane measurements. For Au{sup 24+} and Au{sup 53+}, there is a complete lack of accord with the available experiments. However, for Au{sup 24+} the theoretical position appears to be quite firm with clear indications of convergence in the CP approximation and very good agreement between CP and the completely different three-distorted-waves eikonal-initial-state (3DW-EIS) approximation. The situation for Au{sup 53+} is different. At the momentum transfers at which the measurements were made, there are doubts about the convergence of the CP approximation and a factor of 2 difference between the CP and 3DW-EIS predictions. The discord between theory and experiment is even greater with the experiment giving cross sections a factor of 10 larger than the theory. A study of the convergence of the CP approximation shows that it improves rapidly with reducing momentum transfer. As a consequence, lower-order cross sections than the triple are quite well converged and present an opportunity for a more reliable test of the experiment.« less

Electron ionization of SiCl4

NASA Astrophysics Data System (ADS)

King, Simon J.; Price, Stephen D.

2011-02-01

Relative partial ionization cross sections (PICS) for the formation of fragment ions following electron ionization of SiCl4, in the electron energy range 30-200 eV, have been determined using time-of-flight mass spectrometry coupled with an ion coincidence technique. By this method, the contributions to the yield of each fragment ion from dissociative single, double, and triple ionization, are distinguished. These yields are quantified in the form of relative precursor-specific PICS, which are reported here for the first time for SiCl4. For the formation of singly charged ionic fragments, the low-energy maxima appearing in the PICS curves are due to contributions from single ionization involving predominantly indirect ionization processes, while contributions to the yields of these ions at higher electron energies are often dominated by dissociative double ionization. Our data, in the reduced form of relative PICS, are shown to be in good agreement with a previous determination of the PICS of SiCl4. Only for the formation of doubly charged fragment ions are the current relative PICS values lower than those measured in a previous study, although both datasets agree within combined error limits. The relative PICS data presented here include the first quantitative measurements of the formation of Cl2+ fragment ions and of the formation of ion pairs via dissociative double ionization. The peaks appearing in the 2D ion coincidence data are analyzed to provide further information concerning the mechanism and energetics of the charge-separating dissociations of SiCl42+. The lowest energy dicationic precursor state, leading to SiCl3+ + Cl+ formation, lies 27.4 ± 0.3 eV above the ground state of SiCl4 and is in close agreement with a calculated value of the adiabatic double ionization energy (27.3 eV).

Electron ionization of SiCl4.

PubMed

King, Simon J; Price, Stephen D

2011-02-21

Relative partial ionization cross sections (PICS) for the formation of fragment ions following electron ionization of SiCl(4), in the electron energy range 30-200 eV, have been determined using time-of-flight mass spectrometry coupled with an ion coincidence technique. By this method, the contributions to the yield of each fragment ion from dissociative single, double, and triple ionization, are distinguished. These yields are quantified in the form of relative precursor-specific PICS, which are reported here for the first time for SiCl(4). For the formation of singly charged ionic fragments, the low-energy maxima appearing in the PICS curves are due to contributions from single ionization involving predominantly indirect ionization processes, while contributions to the yields of these ions at higher electron energies are often dominated by dissociative double ionization. Our data, in the reduced form of relative PICS, are shown to be in good agreement with a previous determination of the PICS of SiCl(4). Only for the formation of doubly charged fragment ions are the current relative PICS values lower than those measured in a previous study, although both datasets agree within combined error limits. The relative PICS data presented here include the first quantitative measurements of the formation of Cl(2) (+) fragment ions and of the formation of ion pairs via dissociative double ionization. The peaks appearing in the 2D ion coincidence data are analyzed to provide further information concerning the mechanism and energetics of the charge-separating dissociations of SiCl(4) (2+). The lowest energy dicationic precursor state, leading to SiCl(3) (+) + Cl(+) formation, lies 27.4 ± 0.3 eV above the ground state of SiCl(4) and is in close agreement with a calculated value of the adiabatic double ionization energy (27.3 eV).

Full-Scale Model of Subionospheric VLF Signal Propagation Based on First-Principles Charged Particle Transport Calculations

NASA Astrophysics Data System (ADS)

Kouznetsov, A.; Cully, C. M.; Knudsen, D. J.

2016-12-01

Changes in D-Region ionization caused by energetic particle precipitation are monitored by the Array for Broadband Observations of VLF/ELF Emissions (ABOVE) - a network of receivers deployed across Western Canada. The observed amplitudes and phases of subionospheric-propagating VLF signals from distant artificial transmitters depend sensitively on the free electron population created by precipitation of energetic charged particles. Those include both primary (electrons, protons and heavier ions) and secondary (cascades of ionized particles and electromagnetic radiation) components. We have designed and implemented a full-scale model to predict the received VLF signals based on first-principle charged particle transport calculations coupled to the Long Wavelength Propagation Capability (LWPC) software. Calculations of ionization rates and free electron densities are based on MCNP-6 (a general-purpose Monte Carlo N- Particle) software taking advantage of its capability of coupled neutron/photon/electron transport and novel library of cross-sections for low-energetic electron and photon interactions with matter. Cosmic ray calculations of background ionization are based on source spectra obtained both from PAMELA direct Cosmic Rays spectra measurements and based on the recently-implemented MCNP 6 galactic cosmic-ray source, scaled using our (Calgary) neutron monitor measurement results. Conversion from calculated fluxes (MCNP F4 tallies) to ionization rates for low-energy electrons are based on the total ionization cross-sections for oxygen and nitrogen molecules from the National Institute of Standard and Technology. We use our model to explore the complexity of the physical processes affecting VLF propagation.

Plasma diagnosis as a tool for the determination of the parameters of electron beam evaporation and sources of ionization

NASA Astrophysics Data System (ADS)

Mukherjee, Jaya; Dileep Kumar, V.; Yadav, S. P.; Barnwal, Tripti A.; Dikshit, Biswaranjan

2016-07-01

The atomic vapor generated by electron beam heating is partially ionized due to atom-atom collisions (Saha ionization) and electron impact ionization, which depend upon the source temperature and area of evaporation as compared to the area of electron beam bombardment on the target. When electron beam evaporation is carried out by inserting the target inside an insulating liner to reduce conductive heat loss, it is expected that the area of evaporation becomes significantly more than the area of electron beam bombardment on the target, resulting in reduced electron impact ionization. To assess this effect and to quantify the parameters of evaporation, such as temperature and area of evaporation, we have carried out experiments using zirconium, tin and aluminum as a target. By measuring the ion content using a Langmuir probe, in addition to measuring the atomic vapor flux at a specific height, and by combining the experimental data with theoretical expressions, we have established a method for simultaneously inferring the source temperature, evaporation area and ion fraction. This assumes significance because the temperature cannot be reliably measured by an optical pyrometer due to the wavelength dependent source emissivity and reflectivity of thin film mirrors. In addition, it also cannot be inferred from only the atomic flux data at a certain height as the area of evaporation is unknown (it can be much more than the area of electron bombardment, especially when the target is placed in a liner). Finally, the reason for the lower observed electron temperatures of the plasma for all the three cases is found to be the energy loss due to electron impact excitation of the atomic vapor during its expansion from the source.

Electron ionisation induced fragmentation of ethyl 5(1H)-oxo- and 7(1H)-oxo-1-aryl-2,3-dihydroimidazo[1,2-a]-pyrimidine-6-carboxylates: evidence for an unusually regioselective rearrangement of M(+*) ions.

PubMed

Ovcharenko, V V; Pihlaja, K; Matosiuk, D

2001-01-01

The 70-eV electron ionisation (EI) mass spectra of the title compounds show clear differences between the 5-oxo and 7-oxo isomers due to regioselective fragmentations involving the ester function. Exceptionally abundant metastable peaks due to molecular ions fragmenting to [M -CO2](+.) were observed exclusively for the 7-oxo isomers, suggesting that the sufficiently long-lived molecular ions undergo a slow rearrangement preceding this fragmentation reaction. The results are contrasted to the available literature data on the ester group fragmentations involving the loss of CO2 and the EI mass spectrometry of pyrimidone beta-oxo esters. A reaction mechanism is proposed for the elimination of CO2 following ethyl group migration to the pyrimidone carbonyl oxygen. Copyright 2001 John Wiley & Sons, Ltd.

Electrochemical impedance spectroscopy for quantitative interface state characterization of planar and nanostructured semiconductor-dielectric interfaces

NASA Astrophysics Data System (ADS)

Meng, Andrew C.; Tang, Kechao; Braun, Michael R.; Zhang, Liangliang; McIntyre, Paul C.

2017-10-01

The performance of nanostructured semiconductors is frequently limited by interface defects that trap electronic carriers. In particular, high aspect ratio geometries dramatically increase the difficulty of using typical solid-state electrical measurements (multifrequency capacitance- and conductance-voltage testing) to quantify interface trap densities (D it). We report on electrochemical impedance spectroscopy (EIS) to characterize the energy distribution of interface traps at metal oxide/semiconductor interfaces. This method takes advantage of liquid electrolytes, which provide conformal electrical contacts. Planar Al2O3/p-Si and Al2O3/p-Si0.55Ge0.45 interfaces are used to benchmark the EIS data against results obtained from standard electrical testing methods. We find that the solid state and EIS data agree very well, leading to the extraction of consistent D it energy distributions. Measurements carried out on pyramid-nanostructured p-Si obtained by KOH etching followed by deposition of a 10 nm ALD-Al2O3 demonstrate the application of EIS to trap characterization of a nanostructured dielectric/semiconductor interface. These results show the promise of this methodology to measure interface state densities for a broad range of semiconductor nanostructures such as nanowires, nanofins, and porous structures.

Compendium of Current Total Ionizing Dose Results and Displacement Damage Results for Candidate Spacecraft Electronics for NASA

NASA Technical Reports Server (NTRS)

Cochran, Donna J.; O'Bryan, Martha V.; Buchner, Stephen P.; Poivey, Christian; Ladbury, Ray L.; LaBel, Kenneth A.

2007-01-01

Sensitivity of a variety of candidate spacecraft electronics to total ionizing dose and displacement damage is studied. Devices tested include optoelectronics, digital, analog, linear bipolar devices, and hybrid devices.

Bound-Electron Nonlinearity Beyond the Ionization Threshold.

PubMed

Wahlstrand, J K; Zahedpour, S; Bahl, A; Kolesik, M; Milchberg, H M

2018-05-04

We present absolute space- and time-resolved measurements of the ultrafast laser-driven nonlinear polarizability in argon, krypton, xenon, nitrogen, and oxygen up to ionization fractions of a few percent. These measurements enable determination of the strongly nonperturbative bound-electron nonlinear polarizability well beyond the ionization threshold, where it is found to remain approximately quadratic in the laser field, a result normally expected at much lower intensities where perturbation theory applies.

Bound-Electron Nonlinearity Beyond the Ionization Threshold

NASA Astrophysics Data System (ADS)

Wahlstrand, J. K.; Zahedpour, S.; Bahl, A.; Kolesik, M.; Milchberg, H. M.

2018-05-01

We present absolute space- and time-resolved measurements of the ultrafast laser-driven nonlinear polarizability in argon, krypton, xenon, nitrogen, and oxygen up to ionization fractions of a few percent. These measurements enable determination of the strongly nonperturbative bound-electron nonlinear polarizability well beyond the ionization threshold, where it is found to remain approximately quadratic in the laser field, a result normally expected at much lower intensities where perturbation theory applies.

Oxidation of Carbon Nanotubes in an Ionizing Environment.

PubMed

Koh, Ai Leen; Gidcumb, Emily; Zhou, Otto; Sinclair, Robert

2016-02-10

In this work, we present systematic studies on how an illuminating electron beam which ionizes molecular gas species can influence the mechanism of carbon nanotube oxidation in an environmental transmission electron microscope (ETEM). We found that preferential attack of the nanotube tips is much more prevalent than for oxidation in a molecular gas environment. We establish the cumulative electron doses required to damage carbon nanotubes from 80 keV electron beam irradiation in gas versus in high vacuum. Our results provide guidelines for the electron doses required to study carbon nanotubes within or without a gas environment, to determine or ameliorate the influence of the imaging electron beam. This work has important implications for in situ studies as well as for the oxidation of carbon nanotubes in an ionizing environment such as that occurring during field emission.

Pulsed-field ionization zero electron kinetic energy spectrum of the ground electronic state of BeOBe+.

PubMed

Antonov, Ivan O; Barker, Beau J; Heaven, Michael C

2011-01-28

The ground electronic state of BeOBe(+) was probed using the pulsed-field ionization zero electron kinetic energy photoelectron technique. Spectra were rotationally resolved and transitions to the zero-point level, the symmetric stretch fundamental and first two bending vibrational levels were observed. The rotational state symmetry selection rules confirm that the ground electronic state of the cation is (2)Σ(g)(+). Detachment of an electron from the HOMO of neutral BeOBe results in little change in the vibrational or rotational constants, indicating that this orbital is nonbonding in nature. The ionization energy of BeOBe [65480(4) cm(-1)] was refined over previous measurements. Results from recent theoretical calculations for BeOBe(+) (multireference configuration interaction) were found to be in good agreement with the experimental data.

Absolute cross-section measurements of inner-shell ionization

NASA Astrophysics Data System (ADS)

Schneider, Hans; Tobehn, Ingo; Ebel, Frank; Hippler, Rainer

1994-12-01

Cross section ratios for K- and L-shell ionization of thin silver and gold targets by positron and electron impact have been determined at projectile energies of 30 70 keV. The experimental results are confirmed by calculations in plane wave Born approximation (PWBA) which include an electron exchange term and account for the deceleration or acceleration of the incident projectile in the nuclear field of the target atom. We report first absolute cross sections for K- and L-shell ionization of silver and gold targets by lepton impact in the threshold region. We have measured the corresponding cross sections for electron (e-) impact with an electron gun and the same experimental set-up.

Detection and Quantification of 4-Methylimidazole in Cola by Matrix-assisted Laser Desorption Ionization Mass Spectrometry with Fe2O3 Nanoparticles on Zeolite.

PubMed

Fujii, Yosuke; Ding, Yuqi; Umezawa, Taichi; Akimoto, Takafumi; Xu, Jiawei; Uchida, Takashi; Fujino, Tatsuya

2018-01-01

Food additives generally used in carbonated drinks, such as 4-methylimidazole (4MI), caffeine (Caf?), citric acid (CA), and aspartame (Apm), were measured by matrix-assisted laser desorption ionization mass spectrometry (MALDI MS) using nanometer-sized particles of iron oxide (Fe 2 O 3 NPs). The quantification of 4MI in Coca Cola (C-cola) was carried out. In order to improve the reproducibility of the peak intensities, Fe 2 O 3 NPs loaded on ZSM5 zeolite were used as the matrix for quantification. By using 2-ethylimidazole (2EI) as the internal standard, the amount of 4MI in C-cola was determined to range from 88 to 65 μg/355 mL. The results agree with the published value (approx. 72 μg/355 mL). It was found that MALDI using Fe 2 O 3 was applicable to the quantification of 4MI in C-cola.

Academic Medicine Education Institute (AM·EI): Transforming the Educational Culture of Health Professionals.

PubMed

Goh, Sok Hong; Tan, Kok Hian; Kamei, Robert K; Koo, Wen Hsin; Cook, Sandy

2015-05-01

The Academic Medicine Education Institute (AM∙EI), jointly established by Duke-NUS Graduate Medical School (Duke-NUS) and Singapore Healthcare Services (SingHealth), is a newly formed health professions education academy designed to cultivate best education practices and create a community of health professions educators. To achieve the aims of AM∙EI, the needs of SingHealth educators have to be understood. Therefore, this study was carried out to assess educators' perceptions towards the current education climate and their academic needs. A 28-item questionnaire consisting of free-response, Likert-type and ranking questions was developed. The questionnaire was electronically distributed to 200 medical and nursing educators, and made available to attendees of the 2012 Singhealth Duke-NUS Scientific Congress through hardcopies. A total of 150 completed questionnaires were received (94 from electronic survey and 56 from Congress). Five themes emerged from the analysis of responses to free-response questions: 1) faculty development, 2) development of a community of educators, 3) recognition for educational efforts, 4) institutional support, and 5) better communication about SingHealth educational activities. Respondents were in highest agreement with the statements (rating of 3.7 out of 5): "The SingHealth education programmes are high quality", "New learning or teaching methods are welcomed in this institution/hospital", and "An academic appointment is important to me". The competencies that respondents felt to be the most important were facilitating discussions, presentation skills, and providing feedback (respective means = 5.1, 5, 5 of 7). This needs assessment provided us with important insights regarding SingHealth medical educators' perceptions of their education environment and established key priorities for the AM∙EI's programming efforts.

The Spectroscopy and Photophysics of Aniline, 2-AMINOPYRIDINE, and 3-AMINOPYRIDINE

NASA Astrophysics Data System (ADS)

Kim, Byungjoo

1995-01-01

Two-photon ionization photoelectron spectroscopic techniques have been employed in concert with a picosecond laser system and molecular beam machine to study the vibrational structure of molecular ions and the intramolecular dynamics of optically prepared intermediate states. From photoelectron spectra of 2-aminopyridine via various S_1 vibronic resonances, the frequencies of several vibrations in the ionic state are assigned. The ionization potential of the molecule is found to be 8.099 +/- 0.003 eV. Using two-color ionization techniques, the electronic overlap effects in the photoionization of excited molecules have been studied, on the example of 2-aminopyridine, 3-aminopyridine, and aniline. The molecules are excited to their S_1 states, and ionized by a 200 nm laser pulse within 50 ps. The spectra of the aminopyridines show a striking absence of transitions to excited electronic states of the ions, indicating small electronic overlap factors in the ionization transitions and very little configuration interaction in the S _1 states. The spectra of aniline show the vibrationally resolved first excited electronic state band of the ion, which is very weak compared to the ground electronic state band, indicating a small amount of orbital mixing in the S_1 state. The vibrational peaks in the band were assigned by comparison of the spectra via two different vibronic resonances. The observations demonstrate that electronic overlap effects play a very general role in the ionization of polyatomic molecules in electronically excited states, and that orbital mixing patterns of the excited electronic states may become observable by projecting molecular electronic wavefunctions onto the ion states. In the time-delayed experiments for these molecules, all spectra reveal only one product of the nonradiative relaxation process. Careful considerations of electronic and vibrational overlap propensity rules for the ionization step lead to the conclusion that the dominant nonradiative decay mechanism in these molecules is the intersystem crossing to excited vibrational states of the T_1 state. This technique has been applied to study the predissociation process of CS_2 in the S_3 vibronic levels near 200 nm. The spectra show extensive vibrational structure, with unusual activity in the antisymmetric vibrations, indicating the possibility of level mixing in the intermediate state by the IVR couplings.

Energetic electrons in the midlatitude nighttime E-region

NASA Technical Reports Server (NTRS)

Smith, L. G.; Geller, M. A.; Voss, H. D.

1974-01-01

An analysis of electron density profiles in the upper E region near midnight at Wallops Island is shown to indicate that the ionization rate is very strongly correlated with geomagnetic activity. This suggests that energetic electrons are the principal source of ionization at midlatitudes in the upper E region near midnight, even under rather quiet geomagnetic conditions.

E-beam ionized channel guiding of an intense relativistic electron beam

DOEpatents

Frost, C.A.; Godfrey, B.B.; Kiekel, P.D.; Shope, S.L.

1988-05-10

An IREB is guided through a curved path by ionizing a channel in a gas with electrons from a filament, and confining the electrons to the center of the path with a magnetic field extending along the path. The magnetic field is preferably generated by a solenoid extending along the path. 2 figs.

Analysis of plasma-mediated ablation in aqueous tissue

NASA Astrophysics Data System (ADS)

Jiao, Jian; Guo, Zhixiong

2012-06-01

Plasma-mediated ablation using ultrafast lasers in transparent media such as aqueous tissues is studied. It is postulated that a critical seed free electron density exists due to the multiphoton ionization in order to trigger the avalanche ionization which causes ablation and during the avalanche ionization process the contribution of laser-induced photon ionization is negligible. Based on this assumption, the ablation process can be treated as two separate processes - the multiphoton and avalanche ionizations - at different time stages; so that an analytical solution to the evolution of plasma formation is obtained for the first time. The analysis is applied to plasma-mediated ablation in corneal epithelium and validated via comparison with experimental data available in the literature. The critical seed free-electron density and the time to initiate the avalanche ionization for sub-picosecond laser pulses are analyzed. It is found that the critical seed free-electron density decreases as the pulse width increases, obeying a tp-5.65 rule. This model is further extended to the estimation of crater size in the ablation of tissue-mimic polydimethylsiloxane (PDMS). The results match well with the available experimental measurements.

A robust yellow-emitting metallophosphor with electron-injection/-transporting traits for highly efficient white organic light-emitting diodes.

PubMed

Zhou, Guijiang; Yang, Xiaolong; Wong, Wai-Yeung; Wang, Qi; Suo, Si; Ma, Dongge; Feng, Jikang; Wang, Lixiang

2011-10-24

With the aim of endowing triplet emitters in the development of organic light-emitting devices (OLEDs) with electron-injection/-transporting (EI/ET) features, the phenylsulfonyl moiety was introduced into the phenyl ring of a 2-phenylpyridine (Hppy) ligand and the yellow phosphorescent heteroleptic iridium(III) complex 1 was developed. It was shown that the SO(2)Ph unit could provide EI/ET character to 1, as indicated from both electrochemical and computational data. Complex 1 is a promising yellow-emitting material for both monochromatic OLEDs and white OLEDs (WOLEDs). The outstanding electronic traits associated with 1, coupled with careful device design, afforded very attractive electroluminescent performances for two-element WOLEDs, including a low turn-on voltage of less than 3.7 V, a maximum brightness of 48,000 cd m(-2), an external quantum efficiency of 13.0%, a luminance efficiency of 34.7 cd A(-1), and a power efficiency of 24.3 Lm W(-1). In addition, a good color rendering index (CRI) of about 74, a stable white color with a Commission Internationale de L'Eclairage (CIE(x,y)) variation of Δ(x, y) < ±(0.02, 0.02), and a correlated color temperature higher than 5130 K were obtained. These encouraging results indicate the potential of these WOLEDs as good candidates for warm indoor lighting sources, as well as the critical contribution of such key EI/ET properties to triplet emitters to advance new OLED research. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Three component plasma electron distribution in the intermediate ionized coma of Comet Giacobini-Zinner

NASA Astrophysics Data System (ADS)

Zwickl, R. D.; Baker, D. N.; Bame, S. J.; Feldman, W. C.; Fuselier, S. A.; Huebner, W. F.; McComas, D. J.; Young, D. T.

1986-04-01

The observation of three distinct components of the electron distribution function measured in the intermediate ionized coma (IIC) and plasma tail of Comet Giacobini-Zinner is reported. It is believed that the cold component represents electrons produced close to the comet nucleus by ionization of cometary matter and subsequent cooling by Coulomb collisions. The second component also appears to be composed of electrons produced by photoionization of cometary neutrals, but sufficiently far from the nucleus that the distributions are largely unaffected by Coulomb interactions. The hot component is probably a population of electrons originating in the solar wind. Throughout the IIC, the electrostatic potential of the spacecraft was very low (less than 0.8 eV), implying that ICE generated very little impact-produced plasma during its passage.

Triply differential measurements of single ionization of argon by 1-keV positron and electron impact

NASA Astrophysics Data System (ADS)

Gavin, J.; de Lucio, O. G.; DuBois, R. D.

2017-06-01

By establishing coincidences between target ions and scattered projectiles, and coincidences between target ions, scattered projectiles, and ejected electrons, triply differential cross-section (TDCS) information was generated in terms of projectile energy loss and scattering angles for interactions between 1-keV positrons and electrons and Ar atoms. The conversion of the raw experimental information to the TDCS is discussed. The single-ionization TDCS exhibits two distinguishable regions (lobes) where binary and recoil interactions can be described by two peaks. A comparison of the positron and electron impact data shows that the relative intensity of both binary and recoil interactions decreases exponentially as a function of the momentum transfer and is larger when ionization is induced by positron impact, when compared with electron impact.

Ionization Potentials for Isoelectronic Series.

ERIC Educational Resources Information Center

Agmon, Noam

1988-01-01

Presents a quantitative treatment of ionization potentials of isoelectronic atoms. By looking at the single-electron view of calculating the total energy of an atom, trends in the screening and effective quantum number parameters are examined. Approaches the question of determining electron affinities. (CW)

Heater-induced ionization inferred from spectrometric airglow measurements

NASA Astrophysics Data System (ADS)

Hysell, D. L.; Miceli, R. J.; Kendall, E. A.; Schlatter, N. M.; Varney, R. H.; Watkins, B. J.; Pedersen, T. R.; Bernhardt, P. A.; Huba, J. D.

2014-03-01

Spectrographic airglow measurements were made during an ionospheric modification experiment at High Frequency Active Auroral Research Program on 12 March 2013. Artificial airglow enhancements at 427.8, 557.7, 630.0, 777.4, and 844.6 nm were observed. On the basis of these emissions and using a methodology based on the method of Backus and Gilbert (1968, 1970), we estimate the suprathermal electron population and the subsequent equilibrium electron density profile, including contributions from electron impact ionization. We find that the airglow is consistent with heater-induced ionization in view of the spatial intermittency of the airglow.

Electronic-type vacuum gauges with replaceable elements

DOEpatents

Edwards, Jr., David

1984-01-01

In electronic devices for measuring pressures in vacuum systems, the metal elements which undergo thermal deterioration are made readily replaceable by making them parts of a simple plug-in unit. Thus, in ionization gauges, the filament and grid or electron collector are mounted on the novel plug-in unit. In thermocouple pressure gauges, the heater and attached thermocouple are mounted on the plug-in unit. Plug-in units have been designed to function, alternatively, as ionization gauge and as thermocouple gauge, thus providing new gauges capable of measuring broader pressure ranges than is possible with either an ionization gauge or a thermocouple gauge.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xue, Haizhou; Zhang, Yanwen; Weber, William J.

Understanding how energy deposited in electronic and atomic subsystems may affect defect dynamics is a long-standing fundamental challenge in materials research. The coupling of displacement cascades and in-cascade ionization-induced annealing are investigated in silicon carbide (SiC). A delayed damage accumulation under ion irradiation is revealed with a linear dependence as a function of both increasing ionization and increasing ratio of electronic to nuclear energy deposition. An in-cascade healing mechanism is suggested with a low threshold value of electronic energy loss (~1.0 keV nm-1). The in-cascade ionization effects must be considered in predicting radiation performance of SiC.

Fragmentation pathways of tungsten hexacarbonyl clusters upon electron ionization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neustetter, M.; Jabbour Al Maalouf, E.; Denifl, S., E-mail: Stephan.Denifl@uibk.ac.at, E-mail: plimaovieira@fct.unl.pt

2016-08-07

Electron ionization of neat tungsten hexacarbonyl (W(CO){sub 6}) clusters has been investigated in a crossed electron-molecular beam experiment coupled with a mass spectrometer system. The molecule is used for nanofabrication processes through electron beam induced deposition and ion beam induced deposition techniques. Positive ion mass spectra of W(CO){sub 6} clusters formed by electron ionization at 70 eV contain the ion series of the type W(CO){sub n}{sup +} (0 ≤ n ≤ 6) and W{sub 2}(CO){sub n}{sup +} (0 ≤ n ≤ 12). In addition, a series of peaks are observed and have been assigned to WC(CO){sub n}{sup +} (0 ≤more » n ≤ 3) and W{sub 2}C(CO){sub n}{sup +} (0 ≤ n ≤ 10). A distinct change of relative fragment ion intensity can be observed for clusters compared to the single molecule. The characteristic fragmentation pattern obtained in the mass spectra can be explained by a sequential decay of the ionized organometallic, which is also supported by the study of the clusters when embedded in helium nanodroplets. In addition, appearance energies for the dissociative ionization channels for singly charged ions have been estimated from experimental ion efficiency curves.« less

Electrical conductivity measurements of bacterial nanowires from Pseudomonas aeruginosa

NASA Astrophysics Data System (ADS)

Maruthupandy, Muthusamy; Anand, Muthusamy; Maduraiveeran, Govindhan; Sait Hameedha Beevi, Akbar; Jeeva Priya, Radhakrishnan

2015-12-01

The extracellular appendages of bacteria (flagella) that transfer electrons to electrodes are called bacterial nanowires. This study focuses on the isolation and separation of nanowires that are attached via Pseudomonas aeruginosa bacterial culture. The size and roughness of separated nanowires were measured using transmission electron microscopy (TEM) and atomic force microscopy (AFM), respectively. The obtained bacterial nanowires indicated a clear image of bacterial nanowires measuring 16 nm in diameter. The formation of bacterial nanowires was confirmed by microscopic studies (AFM and TEM) and the conductivity nature of bacterial nanowire was investigated by electrochemical techniques. Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS), which are nondestructive voltammetry techniques, suggest that bacterial nanowires could be the source of electrons—which may be used in various applications, for example, microbial fuel cells, biosensors, organic solar cells, and bioelectronic devices. Routine analysis of electron transfer between bacterial nanowires and the electrode was performed, providing insight into the extracellular electron transfer (EET) to the electrode. CV revealed the catalytic electron transferability of bacterial nanowires and electrodes and showed excellent redox activities. CV and EIS studies showed that bacterial nanowires can charge the surface by producing and storing sufficient electrons, behave as a capacitor, and have features consistent with EET. Finally, electrochemical studies confirmed the development of bacterial nanowires with EET. This study suggests that bacterial nanowires can be used to fabricate biomolecular sensors and nanoelectronic devices.

Trajectory calculations of two-dimensional Penning ionization electron spectra of N 2 in collision with metastable He* 2 3S atoms

NASA Astrophysics Data System (ADS)

Ohno, Koichi; Yamazaki, Masakazu; Kishimoto, Naoki; Ogawa, Tetsuji; Takeshita, Kouichi

2000-12-01

Ionization cross-sections of N 2 in collision with He* 2 3S as functions of the collision energy and the ejected electron kinetic energy (two-dimensional Penning ionization electron spectra, 2D-PIES) have been evaluated by trajectory calculations based on quantum chemical potential surfaces of both entrance and exit channels as well as on the transition widths for producing X, A, and B states of N 2+. The present approach using a Li atom for He * and an overlap approximation for Γ has given theoretical 2D-PIES in good agreement with the observation and a promise for its application to the study of dynamics in collisional ionization involving highly anisotropic target systems.

Reproducibility of subjective appetite ratings and ad libitum test meal energy intake in overweight and obese males.

PubMed

Horner, Katy M; Byrne, Nuala M; King, Neil A

2014-10-01

To determine whether changes in appetite and energy intake (EI) can be detected and play a role in the effectiveness of interventions, it is necessary to identify their variability under normal conditions. We assessed the reproducibility of subjective appetite ratings and ad libitum test meal EI after a standardised pre-load in overweight and obese males. Fifteen overweight and obese males (BMI 30.3 ± 4.9 kg/m(2), aged 34.9 ± 10.6 years) completed two identical test days, 7 days apart. Participants were provided with a standardised fixed breakfast (1676 kJ) and 5 h later an ad libitum pasta lunch. An electronic appetite rating system was used to assess subjective ratings before and after the fixed breakfast, and periodically during the postprandial period. EI was assessed at the ad libitum lunch meal. Sample size estimates for paired design studies were calculated. Appetite ratings demonstrated a consistent oscillating pattern between test days, and were more reproducible for mean postprandial than fasting ratings. The correlation between ad libitum EI on the two test days was r = 0.78 (P <0.01). Using a paired design and a power of 0.8, a minimum of 12 participants would be needed to detect a 10 mm change in 5 h postprandial mean ratings and 17 to detect a 500 kJ difference in ad libitum EI. Intra-individual variability of appetite and ad libitum test meal EI in overweight and obese males is comparable to previous reports in normal weight adults. Sample size requirements for studies vary depending on the parameter of interest and sensitivity needed. Copyright © 2014 Elsevier Ltd. All rights reserved.

Medication adherence and tolerability of Alzheimer's disease medications: study protocol for a randomized controlled trial.

PubMed

Campbell, Noll L; Dexter, Paul; Perkins, Anthony J; Gao, Sujuan; Li, Lang; Skaar, Todd C; Frame, Amie; Hendrie, Hugh C; Callahan, Chris M; Boustani, Malaz A

2013-05-04

The class of acetylcholinesterase inhibitors (ChEI), including donepezil, rivastigmine, and galantamine, have similar efficacy profiles in patients with mild to moderate Alzheimer's disease (AD). However, few studies have evaluated adherence to these agents. We sought to prospectively capture the rates and reasons for nonadherence to ChEI and determine factors influencing tolerability and adherence. We designed a pragmatic randomized clinical trial to evaluate the adherence to ChEIs among older adults with AD. Participants include AD patients receiving care within memory care practices in the greater Indianapolis area. Participants will be followed at 6-week intervals up to 18 weeks to measure the primary outcome of ChEI discontinuation and adherence rates and secondary outcomes of behavioral and psychological symptoms of dementia. The primary outcome will be assessed through two methods, a telephone interview of an informal caregiver and electronic medical record data captured from each healthcare system through a regional health information exchange. The secondary outcome will be measured by the Healthy Aging Brain Care Monitor and the Neuropsychiatric Inventory. In addition, the trial will conduct an exploratory evaluation of the pharmacogenomic signatures for the efficacy and the adverse effect responses to ChEIs. We hypothesized that patient-specific factors, including pharmacogenomics and pharmacokinetic characteristics, may influence the study outcomes. This pragmatic trial will engage a diverse population from multiple memory care practices to evaluate the adherence to and tolerability of ChEIs in a real world setting. Engaging participants from multiple healthcare systems connected through a health information exchange will capture valuable clinical and non-clinical influences on the patterns of utilization and tolerability of a class of medications with a high rate of discontinuation. Clinicaltrials.gov: NCT01362686.

State-resolved three-dimensional electron-momentum correlation in nonsequential double ionization of benzene

NASA Astrophysics Data System (ADS)

Winney, Alexander H.; Lin, Yun Fei; Lee, Suk Kyoung; Adhikari, Pradip; Li, Wen

2016-03-01

We report state-resolved electron-momentum correlation measurement of strong-field nonsequential double ionization in benzene. With a novel coincidence detection apparatus, highly efficient triple coincidence (electron-electron dication) and quadruple coincidence (electron-electron-cation-cation) are used to resolve the final ionic states and to characterize three-dimensional (3D) electron-momentum correlation. The primary states associated with dissociative and nondissociative dications are assigned. A 3D momentum anticorrelation is observed for the electrons in coincidence with dissociative benzene dication states whereas such a correlation is absent for nondissociative dication states.

Electron-Impact Total Ionization Cross Sections of CH and C2H2

PubMed Central

Kim, Yong-Ki; Ali, M. Asgar; Rudd, M. Eugene

1997-01-01

Electron-impact total ionization cross sections for the CH radical and C2H2 (acetylene) have been calculated using the Binary-Encounter-Bethe (BEB) model. The BEB model combines the Mott cross section and the asymptotic form of the Bethe theory, and has been shown to generate reliable ionization cross sections for a large variety of molecules. The BEB cross sections for CH and C2H2 are in good agreement with the available experimental data from ionization thresholds to hundreds of eV in incident energies. PMID:27805116

Calculations of the Electron Energy Distribution Function in a Uranium Plasma by Analytic and Monte Carlo Techniques. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Bathke, C. G.

1976-01-01

Electron energy distribution functions were calculated in a U235 plasma at 1 atmosphere for various plasma temperatures and neutron fluxes. The distributions are assumed to be a summation of a high energy tail and a Maxwellian distribution. The sources of energetic electrons considered are the fission-fragment induced ionization of uranium and the electron induced ionization of uranium. The calculation of the high energy tail is reduced to an electron slowing down calculation, from the most energetic source to the energy where the electron is assumed to be incorporated into the Maxwellian distribution. The pertinent collisional processes are electron-electron scattering and electron induced ionization and excitation of uranium. Two distinct methods were employed in the calculation of the distributions. One method is based upon the assumption of continuous slowing and yields a distribution inversely proportional to the stopping power. An iteration scheme is utilized to include the secondary electron avalanche. In the other method, a governing equation is derived without assuming continuous electron slowing. This equation is solved by a Monte Carlo technique.

Electron energy deposition in N2 gas

NASA Technical Reports Server (NTRS)

Fox, J. L.; Victor, G. A.

1988-01-01

The processes by which energetic electrons lose energy in a weakly ionized gas of molecular nitrogen are analyzed and calculations are carried out taking into account the discrete nature of the excitation processes. The excitation, ionization, dissociation and heating efficiencies are computed for energies up to 200 eV absorbed in a gas with fractional ionizations varying from 10(-6) to 10(-2). Individual vibrational excitations up to the seventh vibrational level are presented.

Study of dust particle charging in weakly ionized inert gases taking into account the nonlocality of the electron energy distribution function

DOE Office of Scientific and Technical Information (OSTI.GOV)

Filippov, A. V., E-mail: fav@triniti.ru; Dyatko, N. A.; Kostenko, A. S.

2014-11-15

The charging of dust particles in weakly ionized inert gases at atmospheric pressure has been investigated. The conditions under which the gas is ionized by an external source, a beam of fast electrons, are considered. The electron energy distribution function in argon, krypton, and xenon has been calculated for three rates of gas ionization by fast electrons: 10{sup 13}, 10{sup 14}, and 10{sup 15} cm{sup −1}. A model of dust particle charging with allowance for the nonlocal formation of the electron energy distribution function in the region of strong plasma quasi-neutrality violation around the dust particle is described. The nonlocalitymore » is taken into account in an approximation where the distribution function is a function of only the total electron energy. Comparative calculations of the dust particle charge with and without allowance for the nonlocality of the electron energy distribution function have been performed. Allowance for the nonlocality is shown to lead to a noticeable increase in the dust particle charge due to the influence of the group of hot electrons from the tail of the distribution function. It has been established that the screening constant virtually coincides with the smallest screening constant determined according to the asymptotic theory of screening with the electron transport and recombination coefficients in an unperturbed plasma.« less

Efficient and scalable ionization of neutral atoms by an orderly array of gold-doped silicon nanowires

NASA Astrophysics Data System (ADS)

Bucay, Igal; Helal, Ahmed; Dunsky, David; Leviyev, Alex; Mallavarapu, Akhila; Sreenivasan, S. V.; Raizen, Mark

2017-04-01

Ionization of atoms and molecules is an important process in many applications and processes such as mass spectrometry. Ionization is typically accomplished by electron bombardment, and while it is scalable to large volumes, is also very inefficient due to the small cross section of electron-atom collisions. Photoionization methods can be highly efficient, but are not scalable due to the small ionization volume. Electric field ionization is accomplished using ultra-sharp conducting tips biased to a few kilovolts, but suffers from a low ionization volume and tip fabrication limitations. We report on our progress towards an efficient, robust, and scalable method of atomic and molecular ionization using orderly arrays of sharp, gold-doped silicon nanowires. As demonstrated in earlier work, the presence of the gold greatly enhances the ionization probability, which was attributed to an increase in available acceptor surface states. We present here a novel process used to fabricate the nanowire array, results of simulations aimed at optimizing the configuration of the array, and our progress towards demonstrating efficient and scalable ionization.

Compendium of Current Total Ionizing Dose and Displacement Damage Results from NASA GSFC and NEPP

NASA Technical Reports Server (NTRS)

Topper, Alyson D.; Campola, Michael J.; Chen, Dakai; Casey, Megan C.; Yau, Ka-Yen; Label, Kenneth A.; Cochran, Donna J.; O'Bryan, Martha V.

2017-01-01

Total ionizing dose and displacement damage testing was performed to characterize and determine the suitability of candidate electronics for NASA space utilization. Devices tested include opto-electronics, digital, analog, linear bipolar devices, and hybrid devices.

Resonant recombination and autoionization in electron-ion collisions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mueller, A.

1990-06-01

The occurence of resonances in elastic and inelastic electron-ion collisions is discussed. Resonant processes involve excitation of the ion with simultaneous capture of the initially free electron. The decay mechanism subsequent to the formation of the intermediate multiply excited state determines whether a resonance is found in recombination, excitation, elastic scattering, in single or even in multiple ionization. This review concentrates on resonances in the ionization channel. Correlated two-electron transitions are considered.

Three chamber negative ion source

DOEpatents

Leung, Ka-Ngo; Ehlers, Kenneth W.; Hiskes, John R.

1985-01-01

A negative ion vessel is divided into an excitation chamber, a negative ionization chamber and an extraction chamber by two magnetic filters. Input means introduces neutral molecules into a first chamber where a first electron discharge means vibrationally excites the molecules which migrate to a second chamber. In the second chamber a second electron discharge means ionizes the molecules, producing negative ions which are extracted into or by a third chamber. A first magnetic filter prevents high energy electrons from entering the negative ionization chamber from the excitation chamber. A second magnetic filter prevents high energy electrons from entering the extraction chamber from the negative ionizing chamber. An extraction grid at the end of the negative ion vessel attracts negative ions into the third chamber and accelerates them. Another grid, located adjacent to the extraction grid, carries a small positive voltage in order to inhibit positive ions from migrating into the extraction chamber and contour the plasma potential. Additional electrons can be suppressed from the output flux using ExB forces provided by magnetic field means and the extractor grid electric potential.

On ionizing shock waves

NASA Astrophysics Data System (ADS)

Kaniel, A.; Igra, O.; Ben-Dor, G.; Mond, M.

The flow field in the ionizing relaxation zone developed behind a normal shock wave in an electrically neutral, homogeneous, two temperature mixture of thermally ideal gases (molecules, atoms, ions, electrons) was numerically solved. The heat transfer between the electron gas and the other components was taken into account while all the other transport phenomena (molecular, turbulent and radiative) were neglected in the relaxation zone, since it is dominated by inelastic collisions. The threshold cross sections measured by Specht (1981), for excitation of argon by electron collisions, were used. The calculated results show good agreement with the results of the shock tube experiments presented by Glass and Liu (1978), especially in the electron avalanche region. A critical examination was made of the common assumptions regarding the average energy with which electrons are produced by atom-atom collisions and the relative effectiveness of atom-atom collisions (versus electron-atom collisions) in ionizing excited argon.

FIP bias in a sigmoidal active region

NASA Astrophysics Data System (ADS)

Baker, D.; Brooks, D. H.; Démoulin, P.; van Driel-Gesztelyi, Lidia; Green, L. M.; Steed, K.; Carlyle, J.

2014-01-01

We investigate first ionization potential (FIP) bias levels in an anemone active region (AR) - coronal hole (CH) complex using an abundance map derived from Hinode/EIS spectra. The detailed, spatially resolved abundance map has a large field of view covering 359'' × 485''. Plasma with high FIP bias, or coronal abundances, is concentrated at the footpoints of the AR loops whereas the surrounding CH has a low FIP bias, ~1, i.e. photospheric abundances. A channel of low FIP bias is located along the AR's main polarity inversion line containing a filament where ongoing flux cancellation is observed, indicating a bald patch magnetic topology characteristic of a sigmoid/flux rope configuration.

Study of transport of laser-driven relativistic electrons in solid materials

NASA Astrophysics Data System (ADS)

Leblanc, Philippe

With the ultra intense lasers available today, it is possible to generate very hot electron beams in solid density materials. These intense laser-matter interactions result in many applications which include the generation of ultrashort secondary sources of particles and radiation such as ions, neutrons, positrons, x-rays, or even laser-driven hadron therapy. For these applications to become reality, a comprehensive understanding of laser-driven energy transport including hot electron generation through the various mechanisms of ionization, and their subsequent transport in solid density media is required. This study will focus on the characterization of electron transport effects in solid density targets using the state-of- the-art particle-in-cell code PICLS. A number of simulation results will be presented on the topics of ionization propagation in insulator glass targets, non-equilibrium ionization modeling featuring electron impact ionization, and electron beam guiding by the self-generated resistive magnetic field. An empirically derived scaling relation for the resistive magnetic in terms of the laser parameters and material properties is presented and used to derive a guiding condition. This condition may prove useful for the design of future laser-matter interaction experiments.

Dissociative Ionization of Benzene by Electron Impact

NASA Technical Reports Server (NTRS)

Huo, Winifred; Dateo, Christopher; Kwak, Dochan (Technical Monitor)

2002-01-01

We report a theoretical study of the dissociative ionization (DI) of benzene from the low-lying ionization channels. Our approach makes use of the fact that electron motion is much faster than nuclear motion and DI is treated as a two-step process. The first step is electron-impact ionization resulting in an ion with the same nuclear geometry as the neutral molecule. In the second step the nuclei relax from the initial geometry and undergo unimolecular dissociation. For the ionization process we use the improved binary-encounter dipole (iBED) model. For the unimolecular dissociation step, we study the steepest descent reaction path to the minimum of the ion potential energy surface. The path is used to analyze the probability of unimolecular dissociation and to determine the product distributions. Our analysis of the dissociation products and the thresholds of the productions are compared with the result dissociative photoionization measurements of Feng et al. The partial oscillator strengths from Feng et al. are then used in the iBED cross section calculations.

Relativistic Electron Response to the Combined Magnetospheric Impact of a Coronal Mass Ejection Overlapping with a High-Speed Stream: Van Allen Probes Observations

NASA Technical Reports Server (NTRS)

Kanekal, S. G.; Baker, D. N.; Henderson, M. G.; Li, W.; Fennell, J. F.; Zheng, Y.; Richardson, I. G.; Jones, A.; Ali, A. F.; Elkington, S. R.;

Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption

NASA Astrophysics Data System (ADS)

Dorenkamp, Yvonne; Jiang, Hongyan; Köckert, Hansjochen; Hertl, Nils; Kammler, Marvin; Janke, Svenja M.; Kandratsenka, Alexander; Wodtke, Alec M.; Bünermann, Oliver

2018-01-01

Inelastic scattering of H and D atoms from the (111) surfaces of six fcc transition metals (Au, Pt, Ag, Pd, Cu, and Ni) was investigated, and in each case, excitation of electron-hole pairs dominates the inelasticity. The results are very similar for all six metals. Differences in the average kinetic energy losses between metals can mainly be attributed to different efficiencies in the coupling to phonons due to the different masses of the metal atoms. The experimental observations can be reproduced by molecular dynamics simulations based on full-dimensional potential energy surfaces and including electronic excitations by using electronic friction in the local density friction approximation. The determining factors for the energy loss are the electron density at the surface, which is similar for all six metals, and the mass ratio between the impinging atoms and the surface atoms. Details of the electronic structure of the metal do not play a significant role. The experimentally validated simulations are used to explore sticking over a wide range of incidence conditions. We find that the sticking probability increases for H and D collisions near normal incidence—consistent with a previously reported penetration-resurfacing mechanism. The sticking probability for H or D on any of these metals may be represented as a simple function of the incidence energy, Ein, metal atom mass, M, and incidence angle, 𝜗i n. S =(S0+a ṡEi n+b ṡM ) *(1 -h (𝜗i n-c ) (1 -cos(𝜗 i n-c ) d ṡh (Ei n-e ) (Ei n-e ) ) ) , where h is the Heaviside step function and for H, S0 = 1.081, a = -0.125 eV-1, b =-8.40 ṡ1 0-4 u-1, c = 28.88°, d = 1.166 eV-1, and e = 0.442 eV; whereas for D, S0 = 1.120, a = -0.124 eV-1, b =-1.20 ṡ1 0-3 u-1, c = 28.62°, d = 1.196 eV-1, and e = 0.474 eV.

Evidence for unnatural-parity contributions to electron-impact ionization of laser-aligned atoms

DOE PAGES

Armstrong, Gregory S. J.; Colgan, James Patrick; Pindzola, M. S.; ...

2015-09-11

Recent measurements have examined the electron-impact ionization of excited-state laser-aligned Mg atoms. In this paper we show that the ionization cross section arising from the geometry where the aligned atom is perpendicular to the scattering plane directly probes the unnatural parity contributions to the ionization amplitude. The contributions from natural parity partial waves cancel exactly in this geometry. Our calculations resolve the discrepancy between the nonzero measured cross sections in this plane and the zero cross section predicted by distorted-wave approaches. Finally, we demonstrate that this is a general feature of ionization from p-state targets by additional studies of ionizationmore » from excited Ca and Na atoms.« less

Unraveling nonadiabatic ionization and Coulomb potential effect in strong-field photoelectron holography.

PubMed

Song, Xiaohong; Lin, Cheng; Sheng, Zhihao; Liu, Peng; Chen, Zhangjin; Yang, Weifeng; Hu, Shilin; Lin, C D; Chen, Jing

2016-06-22

Strong field photoelectron holography has been proposed as a means for interrogating the spatial and temporal information of electrons and ions in a dynamic system. After ionization, part of the electron wave packet may directly go to the detector (the reference wave), while another part may be driven back and scatters off the ion(the signal wave). The interference hologram of the two waves may be used to extract target information embedded in the collision process. Unlike conventional optical holography, however, propagation of the electron wave packet is affected by the Coulomb potential as well as by the laser field. In addition, electrons are emitted over the whole laser pulse duration, thus multiple interferences may occur. In this work, we used a generalized quantum-trajectory Monte Carlo method to investigate the effect of Coulomb potential and the nonadiabatic subcycle ionization on the photoelectron hologram. We showed that photoelectron hologram can be well described only when the effect of nonadiabatic ionization is accounted for, and Coulomb potential can be neglected only in the tunnel ionization regime. Our results help paving the way for establishing photoelectron holography for probing spatial and dynamic properties of atoms and molecules.

Unraveling nonadiabatic ionization and Coulomb potential effect in strong-field photoelectron holography

PubMed Central

Song, Xiaohong; Lin, Cheng; Sheng, Zhihao; Liu, Peng; Chen, Zhangjin; Yang, Weifeng; Hu, Shilin; Lin, C. D.; Chen, Jing

2016-01-01

Strong field photoelectron holography has been proposed as a means for interrogating the spatial and temporal information of electrons and ions in a dynamic system. After ionization, part of the electron wave packet may directly go to the detector (the reference wave), while another part may be driven back and scatters off the ion(the signal wave). The interference hologram of the two waves may be used to extract target information embedded in the collision process. Unlike conventional optical holography, however, propagation of the electron wave packet is affected by the Coulomb potential as well as by the laser field. In addition, electrons are emitted over the whole laser pulse duration, thus multiple interferences may occur. In this work, we used a generalized quantum-trajectory Monte Carlo method to investigate the effect of Coulomb potential and the nonadiabatic subcycle ionization on the photoelectron hologram. We showed that photoelectron hologram can be well described only when the effect of nonadiabatic ionization is accounted for, and Coulomb potential can be neglected only in the tunnel ionization regime. Our results help paving the way for establishing photoelectron holography for probing spatial and dynamic properties of atoms and molecules. PMID:27329071

Unraveling nonadiabatic ionization and Coulomb potential effect in strong-field photoelectron holography

DOE PAGES

Song, Xiaohong; Lin, Cheng; Sheng, Zhihao; ...

2016-06-22

Strong field photoelectron holography has been proposed as a means for interrogating the spatial and temporal information of electrons and ions in a dynamic system. After ionization, part of the electron wave packet may directly go to the detector (the reference wave), while another part may be driven back and scatters off the ion(the signal wave). The interference hologram of the two waves may be used to extract target information embedded in the collision process. Unlike conventional optical holography, however, propagation of the electron wave packet is affected by the Coulomb potential as well as by the laser field. Inmore » addition, electrons are emitted over the whole laser pulse duration, thus multiple interferences may occur. In this work, we used a generalized quantum-trajectory Monte Carlo method to investigate the effect of Coulomb potential and the nonadiabatic subcycle ionization on the photoelectron hologram. Here, we showed that photoelectron hologram can be well described only when the effect of nonadiabatic ionization is accounted for, and Coulomb potential can be neglected only in the tunnel ionization regime. Our results help paving the way for establishing photoelectron holography for probing spatial and dynamic properties of atoms and molecules.« less

Proton and Electron Threshold Energy Measurements for Extravehicular Activity Space Suits. Chapter 2

NASA Technical Reports Server (NTRS)

Moyers, M. F.; Nelson, G. D.; Saganti, P. B.

2003-01-01

Construction of ISS will require more than 1000 hours of EVA. Outside of ISS during EVA, astronauts and cosmonauts are likely to be exposed to a large fluence of electrons and protons. Development of radiation protection guidelines requires the determination of the minimum energy of electrons and protons that penetrate the suits at various locations. Measurements of the water-equivalent thickness of both US. and Russian EVA suits were obtained by performing CT scans. Specific regions of interest of the suits were further evaluated using a differential range shift technique. This technique involved measuring thickness ionization curves for 6-MeV electron and 155-MeV proton beams with ionization chambers using a constant source-to-detector distance. The thicknesses were obtained by stacking polystyrene slabs immediately upstream of the detector. The thicknesses of the 50% ionizations relative to the maximum ionizations were determined. The detectors were then placed within the suit and the stack thickness adjusted until the 50% ionization was reestablished. The difference in thickness between the 50% thicknesses was then used with standard range-energy tables to determine the threshold energy for penetration. This report provides a detailed description of the experimental arrangement and results.

A non-storm time enhancement of outer radiation belt electrons

NASA Astrophysics Data System (ADS)

Schiller, Q.; Li, X.; Blum, L. W.; Jaynes, A. N.; Malaspina, D.; Tu, W.; Turner, D. L.; Blake, J. B.

2013-12-01

On January 13th, 2013, a high-speed solar wind stream impacted Earth's magnetosphere, resulting in low geomagnetic activity (Real-Time Dst minimum of -30 nT). However, the relativistic electron population was enhanced by over two orders of magnitude in the outer radiation belt. Fortunately, during the event, the outer belt was well sampled by a variety of missions, including the Van Allen Probes, THEMIS, GOES, and the Colorado Student Space Weather Experiment (CSSWE). The energetic electrons are measured in-situ using flux and phase space density observations from the Magnetic Electron Ion Spectrometer (MagEIS) onboard the Van Allen Probes, the Relativistic Electron and Proton Telescope integrated little experiment (REPTile) onboard CSSWE, and SST onboard THEMIS. These measured electron populations are the net result of the balance between concurrent loss and acceleration processes. Precipitation loss is quantified using REPTile measurements at low altitudes, while the energization mechanisms, namely interactions with whistler-mode chorus and Pc5 ULF waves, are investigated using Van Allen Probes' MagEIS and Electric Fields and Waves Suite (EFW), THEMIS' EFI and SCM instrument suites, and GOES magnetometers. The quantity and quality of measurements during this event provide a rare opportunity to address outstanding science questions; such as, whether the energetic electrons originate from inward injections associated with substorms or are accelerated via local heating, as well as what the energy dependence of the enhancement is during a period of such low geomagnetic activity.

Interatomic relaxation processes induced in neon dimers by electron-impact ionization

NASA Astrophysics Data System (ADS)

Yan, S.; Zhang, P.; Stumpf, V.; Gokhberg, K.; Zhang, X. C.; Xu, S.; Li, B.; Shen, L. L.; Zhu, X. L.; Feng, W. T.; Zhang, S. F.; Zhao, D. M.; Ma, X.

2018-01-01

We report an experimental observation of the interatomic Coulombic decay (ICD) and radiative charge-transfer (RCT) processes in a Ne dimer (e ,2 e ) following a 380-eV electron impact. By detecting the N e+-N e+ cation pair and one of the emitted electrons in coincidence, the fingerprint of the ICD process initiated by the inner-valence ionization of Ne is obtained. Furthermore, the experimental results and ab initio calculations together unambiguously confirm the occurrence of the RCT process, and we show that most of the low-energy electrons produced in ionization of the Ne dimers are due to the ICD, which strongly suggests the importance of the ICD in causing radiation damage in a biological medium.

Rings in above-threshold ionization: A quasiclassical analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lewenstein, M.; Kulander, K.C.; Schafer, K.J.

1995-02-01

A generalized strong-field approximation is formulated to describe atoms interacting with intense laser fields. We apply it to determine angular distributions of electrons in above-threshold ionization (ATI). The theory treats the effects of an electron rescattering from its parent ion core in a systematic perturbation series. Probability amplitudes for ionization are interpreted in terms of quasiclassical electron trajectories. We demonstrate that contributions from the direct tunneling processes in the absence of rescattering are not sufficient to describe the observed ATI spectra. We show that the high-energy portion of the spectrum, including recently discovered rings (i.e., complex features in the angularmore » distributions of outgoing electrons) are due to rescattering processes. We compare our quasiclassical results with exact numerical solutions.« less

A singly charged ion source for radioactive {sup 11}C ion acceleration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Katagiri, K.; Noda, A.; Nagatsu, K.

2016-02-15

A new singly charged ion source using electron impact ionization has been developed to realize an isotope separation on-line system for simultaneous positron emission tomography imaging and heavy-ion cancer therapy using radioactive {sup 11}C ion beams. Low-energy electron beams are used in the electron impact ion source to produce singly charged ions. Ionization efficiency was calculated in order to decide the geometric parameters of the ion source and to determine the required electron emission current for obtaining high ionization efficiency. Based on these considerations, the singly charged ion source was designed and fabricated. In testing, the fabricated ion source wasmore » found to have favorable performance as a singly charged ion source.« less

Phase-dependent above-barrier ionization of excited-state electrons.

PubMed

Yang, Weifeng; Song, Xiaohong; Chen, Zhangjin

2012-05-21

The carrier-envelope phase (CEP)-dependent above-barrier ionization (ABI) has been investigated in order to probe the bound-state electron dynamics. It is found that when the system is initially prepared in the excited state, the ionization yield asymmetry between left and right sides can occur both in low-energy and high-energy parts of the photoelectron spectra. Moreover, in electron momentum map, a new interference effect along the direction perpendicular to the laser polarization is found. We show that this interference is related to the competition among different excited states. The interference effect is dependent on CEPs of few-cycle probe pulses, which can be used to trace the superposition information and control the electron wave packet of low excited states.

Propagation of a laser-driven relativistic electron beam inside a solid dielectric.

PubMed

Sarkisov, G S; Ivanov, V V; Leblanc, P; Sentoku, Y; Yates, K; Wiewior, P; Chalyy, O; Astanovitskiy, A; Bychenkov, V Yu; Jobe, D; Spielman, R B

2012-09-01

Laser probe diagnostics: shadowgraphy, interferometry, and polarimetry were used for a comprehensive characterization of ionization wave dynamics inside a glass target induced by a laser-driven, relativistic electron beam. Experiments were done using the 50-TW Leopard laser at the University of Nevada, Reno. We show that for a laser flux of ∼2 × 10(18) W/cm2 a hemispherical ionization wave propagates at c/3 for 10 ps and has a smooth electron-density distribution. The maximum free-electron density inside the glass target is ∼2 × 10(19) cm-3, which corresponds to an ionization level of ∼0.1%. Magnetic fields and electric fields do not exceed ∼15 kG and ∼1 MV/cm, respectively. The electron temperature has a hot, ringlike structure with a maximum of ∼0.7 eV. The topology of the interference phase shift shows the signature of the "fountain effect", a narrow electron beam that fans out from the propagation axis and heads back to the target surface. Two-dimensional particle-in-cell (PIC) computer simulations demonstrate radial spreading of fast electrons by self-consistent electrostatic fields driven by laser. The very low ionization observed after the laser heating pulse suggests a fast recombination on the sub-ps time scale.

Electron ionization and dissociation of aliphatic amino acids

NASA Astrophysics Data System (ADS)

Papp, P.; Shchukin, P.; Kočíšek, J.; Matejčík, Š.

2012-09-01

We present experimental and theoretical study of electron ionization and dissociative ionization to the gas phase amino acids valine, leucine, and isoleucine. A crossed electron/molecular beams technique equipped with quadrupole mass analyzer has been applied to measure mass spectra and ion efficiency curves for formation of particular ions. From experimental data the ionization energies of the molecules and the appearance energies of the fragment ions were determined. Ab initio calculations (Density Functional Theory and G3MP2 methods) were performed in order to calculate the fragmentation paths and interpret the experimental data. The experimental ionization energies of parent molecules [P]+ 8.91 ± 0.05, 8.85 ± 0.05, and 8.79 ± 0.05 eV and G3MP2 ionization energies (adiabatic) of 8.89, 8.88, and 8.81 eV were determined for valine, leucine, and isoleucine, respectively, as well as the experimental and theoretical threshold energies for dissociative ionization channels. The comparison of experimental data with calculations resulted in identification of the ions as well as the neutral fragments formed in the dissociative reactions. Around 15 mass/charge ratio fragments were identified from the mass spectra by comparison of experimental appearance energies with calculated reaction enthalpies for particular dissociative reactions.

The temperature of quiescent streamers during solar cycles 23 and 24

DOE Office of Scientific and Technical Information (OSTI.GOV)

Landi, E.; Testa, P.

2014-05-20

Recent in-situ determinations of the temporal evolution of the charge state distribution in the fast and slow solar wind have shown a general decrease in the degree of ionization of all the elements in the solar wind along solar cycles 23 and 24. Such a decrease has been interpreted as a cooling of the solar corona which occurred during the decline and minimum phase of solar cycle 23 from 2000 to 2010. In the present work, we investigate whether spectroscopic determinations of the temperature of the quiescent streamers show signatures of coronal plasma cooling during cycles 23 and 24. Wemore » measure the coronal electron density and thermal structure at the base of 60 quiescent streamers observed from 1996 to 2013 by SOHO/SUMER and Hinode/EIS and find that both quantities do now show any significant dependence on the solar cycle. We argue that if the slow solar wind is accelerated from the solar photosphere or chromosphere, the measured decrease in the in-situ wind charge state distribution might be due to an increased efficiency in the wind acceleration mechanism at low altitudes. If the slow wind originates from the corona, a combination of density and wind acceleration changes may be responsible for the in-situ results.« less

Observation of anisotropic interactions between metastable atoms and target molecules by two-dimensional collisional ionization electron spectroscopy

NASA Astrophysics Data System (ADS)

Kishimoto, Naoki; Ohno, Koichi

Excited metastable atoms colliding with target molecules can sensitively probe outer properties of molecules by chemi-ionization (Penning ionization) from molecular orbitals in the outer region, since metastable atoms cannot penetrate into the repulsive interaction wall around the molecules. By means of two-dimensional measurements using kinetic energy analysis of electrons combined with a velocity-resolved metastable beam, one can obtain information on the anisotropic interaction between the colliding particles without any control of orientation or alignment of target molecules. We have developed a classical trajectory method to calculate the collision energy dependence of partial ionization cross-sections (CEDPICS) on the anisotropic interaction potential energy surface, which has enabled us to study stereodynamics between metastable atoms and target molecules as well as the spatial distribution of molecular orbitals and electron ejection functions which have a relation with entrance and exit channels of the reaction. Based on the individual CEDPICS, the electronic structure of molecules can also be elucidated.

Ground Levels and Ionization Energies for the Neutral Atoms

National Institute of Standards and Technology Data Gateway

SRD 111 Ground Levels and Ionization Energies for the Neutral Atoms (Web, free access)   Data for ground state electron configurations and ionization energies for the neutral atoms (Z = 1-104) including references.

A solar tornado observed by EIS. Plasma diagnostics

NASA Astrophysics Data System (ADS)

Levens, P. J.; Labrosse, N.; Fletcher, L.; Schmieder, B.

2015-10-01

Context. The term "solar tornadoes" has been used to describe apparently rotating magnetic structures above the solar limb, as seen in high resolution images and movies from the Atmospheric Imaging Assembly (AIA) aboard the Solar Dynamics Observatory (SDO). These often form part of the larger magnetic structure of a prominence, however the links between them remain unclear. Here we present plasma diagnostics on a tornado-like structure and its surroundings, seen above the limb by the Extreme-ultraviolet Imaging Spectrometer (EIS) aboard the Hinode satellite. Aims: We aim to extend our view of the velocity patterns seen in tornado-like structures with EIS to a wider range of temperatures and to use density diagnostics, non-thermal line widths, and differential emission measures to provide insight into the physical characteristics of the plasma. Methods: Using Gaussian fitting to fit and de-blend the spectral lines seen by EIS, we calculated line-of-sight velocities and non-thermal line widths. Along with information from the CHIANTI database, we used line intensity ratios to calculate electron densities at each pixel. Using a regularised inversion code we also calculated the differential emission measure (DEM) at different locations in the prominence. Results: The split Doppler-shift pattern is found to be visible down to a temperature of around log T = 6.0. At temperatures lower than this, the pattern is unclear in this data set. We obtain an electron density of log ne = 8.5 when looking towards the centre of the tornado structure at a plasma temperature of log T = 6.2, as compared to the surroundings of the tornado structure where we find log ne to be nearer 9. Non-thermal line widths show broader profiles at the tornado location when compared to the surrounding corona. We discuss the differential emission measure in both the tornado and the prominence body, which suggests that there is more contribution in the tornado at temperatures below log T = 6.0 than in the prominence. A movie is available in electronic form at http://www.aanda.org

Measurements of HONO, NO, NOy and SO2 in aircraft exhaust plumes at cruise

NASA Astrophysics Data System (ADS)

Jurkat, T.; Voigt, C.; Arnold, F.; Schlager, H.; Kleffmann, J.; Aufmhoff, H.; Schäuble, D.; Schaefer, M.; Schumann, U.

2011-05-01

Measurements of gaseous nitrogen and sulfur oxide emissions in young aircraft exhaust plumes give insight into chemical oxidation processes inside aircraft engines. Particularly, the OH-induced formation of nitrous acid (HONO) from nitrogen oxide (NO) and sulfuric acid (H2SO4) from sulfur dioxide (SO2) inside the turbine which is highly uncertain, need detailed analysis to address the climate impact of aviation. We report on airborne in situ measurements at cruise altitudes of HONO, NO, NOy, and SO2 in 9 wakes of 8 different types of modern jet airliners, including for the first time also an A380. Measurements of HONO and SO2 were made with an ITCIMS (Ion Trap Chemical Ionization Mass Spectrometer) using a new ion-reaction scheme involving SF5- reagent ions. The measured molar ratios HONO/NO and HONO/NOy with averages of 0.038 ± 0.010 and 0.027 ± 0.005 were found to decrease systematically with increasing NOx emission-index (EI NOx). We calculate an average EI HONO of 0.31 ± 0.12 g NO2 kg-1. Using reliable measurements of HONO and NOy, which are less adhesive than H2SO4 to the inlet walls, we derive the OH-induced conversion fraction of fuel sulfur to sulfuric acid $\\varepsilon$ with an average of 2.2 ± 0.5 %. $\\varepsilon$ also tends to decrease with increasing EI NOx, consistent with earlier model simulations. The lowest HONO/NO, HONO/NOy and $\\varepsilon$ was observed for the largest passenger aircraft A380.

Nonequilibrium evolution of strong-field anisotropic ionized electrons towards a delayed plasma-state.

PubMed

Pasenow, B; Moloney, J V; Koch, S W; Chen, S H; Becker, A; Jaroń-Becker, A

2012-01-30

Rigorous quantum calculations of the femtosecond ionization of hydrogen atoms in air lead to highly anisotropic electron and ion angular (momentum) distributions. A quantum Monte-Carlo analysis of the subsequent many-body dynamics reveals two distinct relaxation steps, first to a nearly isotropic hot nonequilibrium and then to a quasi-equilibrium configuration. The collective isotropic plasma state is reached on a picosecond timescale well after the ultrashort ionizing pulse has passed.

Dopant-induced ignition of helium nanoplasmas—a mechanistic study

NASA Astrophysics Data System (ADS)

Heidenreich, Andreas; Schomas, Dominik; Mudrich, Marcel

2017-12-01

Helium (He) nanodroplets irradiated by intense near-infrared laser pulses form a nanoplasma by avalanche-like electron impact ionizations (EIIs) even at lower laser intensities where He is not directly field ionized, provided that the droplets contain a few dopant atoms which provide seed electrons for the EII avalanche. In this theoretical paper on calcium and xenon doped He droplets we elucidate the mechanism which induces ionization avalanches, termed ignition. We find that the partial loss of seed electrons from the activated droplets starkly assists ignition, as the Coulomb barrier for ionization of helium is lowered by the electric field of the dopant cations, and this deshielding of the cation charges enhances their electric field. In addition, the dopant ions assist the acceleration of the seed electrons (slingshot effect) by the laser field, supporting EIIs of He and also causing electron loss by catapulting electrons away. The dopants’ ability to lower the Coulomb barriers at He as well as the slingshot effect decrease with the spatial expansion of the dopant, causing a dependence of the dopants’ ignition capability on the dopant mass. Here, we develop criteria (impact count functions) to assess the ignition capability of dopants, based on (i) the spatial overlap of the seed electron cloud with the He atoms and (ii) the overlap of their kinetic energy distribution with the distribution of Coulomb barrier heights at He. The relatively long time delays between the instants of dopant ionization and ignition (incubation times) for calcium doped droplets are determined to a large extent by the time it takes to deshield the dopant ions.

Effects of ionizing energetic electrons and plasma transport in the ionosphere during the initial phase of the December 2006 magnetic storm

NASA Astrophysics Data System (ADS)

Suvorova, A. V.; Huang, C.-M.; Dmitriev, A. V.; Kunitsyn, V. E.; Andreeva, E. S.; Nesterov, I. A.; Klimenko, M. V.; Klimenko, V. V.; Tumanova, Yu. S.

2016-06-01

The initial phase of a major geomagnetic storm on 14 December 2006 was selected in order to investigate the ionizing effect of energetic electrons in the ionosphere. The global network of GPS receivers was used to analyze the total electron content (TEC). A strong positive ionospheric storm of ~20 TEC units (TECU) with ~6 h duration was observed on the dayside during the interval of northward interplanetary magnetic field. At the same time, the NOAA/POES satellites observed long-lasting intense fluxes of >30 keV electrons in the topside ionosphere at middle and low latitudes, including a near-equatorial forbidden zone outside of the South Atlantic Anomaly (SAA). We found that the TEC increases overlapped well with the enhancements of energetic electrons. Modeling of the ionospheric response by using a Global Self-consistent Model of the Thermosphere, Ionosphere, and Protonosphere, based on the standard mechanisms of plasma transport, could only partially explain the ionospheric response and was unable to predict the long-duration increase of TEC. For the energetic electrons, we estimated the ionizing effect of ~45 TECU and ~23 TECU in the topside ionosphere, respectively, inside and outside of SAA. The ionizing effect contributed from 50% to 100% of TEC increases and provided the long duration and wide latitudinal extension of the positive ionospheric storm. This finding is a very important argument in supporting significant ionizing effect of energetic electrons in the storm time ionosphere both at middle and low latitudes.

Temperature dependence of electron impact ionization coefficient in bulk silicon

NASA Astrophysics Data System (ADS)

Ahmed, Mowfaq Jalil

2017-09-01

This work exhibits a modified procedure to compute the electron impact ionization coefficient of silicon for temperatures between 77 and 800K and electric fields ranging from 70 to 400 kV/cm. The ionization coefficients are computed from the electron momentum distribution function through solving the Boltzmann transport equation (BTE). The arrangement is acquired by joining Legendre polynomial extension with BTE. The resulting BTE is solved by differences-differential method using MATLAB®. Six (X) equivalent ellipsoidal and non-parabolic valleys of the conduction band of silicon are taken into account. Concerning the scattering mechanisms, the interval acoustic scattering, non-polar optical scattering and II scattering are taken into consideration. This investigation showed that the ionization coefficients decrease with increasing temperature. The overall results are in good agreement with previous experimental and theoretical reported data predominantly at high electric fields.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Inhester, Ludger; Oostenrijk, Bart; Patanen, Minna

In many cases fragmentation of molecules upon inner-shell ionization is very unspecific with respect to the initially localized ionization site. Often this finding is interpreted in terms of an equilibration of internal energy into vibrational degrees of freedom after Auger decay. In this paper, we investigate the X-ray photofragmentation of ethyl trifluoroacetate upon core electron ionization at environmentally distinct carbon sites using photoelectron–photoion–photoion coincidence measurements and ab initio electronic structure calculations. For all four carbon ionization sites, the Auger decay weakens the same bonds and transfers the two charges to opposite ends of the molecule, which leads to a rapidmore » dissociation into three fragments, followed by further fragmentation steps. Finally, the lack of site specificity is attributed to the character of the dicationic electronic states after Auger decay instead of a fast equilibration of internal energy.« less

Accurate Cross Sections for Microanalysis.

PubMed

Rez, Peter

2002-01-01

To calculate the intensity of x-ray emission in electron beam microanalysis requires a knowledge of the energy distribution of the electrons in the solid, the energy variation of the ionization cross section of the relevant subshell, the fraction of ionizations events producing x rays of interest and the absorption coefficient of the x rays on the path to the detector. The theoretical predictions and experimental data available for ionization cross sections are limited mainly to K shells of a few elements. Results of systematic plane wave Born approximation calculations with exchange for K, L, and M shell ionization cross sections over the range of electron energies used in microanalysis are presented. Comparisons are made with experimental measurement for selected K shells and it is shown that the plane wave theory is not appropriate for overvoltages less than 2.5 V.

The hidden dynamics of relativistic electrons (0.7-1.5 MeV) in the inner zone and slot region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Claudepierre, Seth G.; O'Brien, T. P.; Fennell, J. F.

We present measurements of relativistic electrons (0.7–1.5 MeV) in the inner zone and slot region obtained by the Magnetic Electron and Ion Spectrometer (MagEIS) instrument on Van Allen Probes. The data presented are corrected for background contamination, which is primarily due to inner-belt protons in these low-L regions. We find that ~1 MeV electrons were transported into the inner zone following the two largest geomagnetic storms of the Van Allen Probes era to date, the March and June 2015 events. As ~1 MeV electrons were not observed in Van Allen Probes data in the inner zone prior to these twomore » events, the injections created a new inner belt that persisted for at least 1.5 years. In contrast, we find that electrons injected into the slot region decay on much faster timescales, approximately tens of days. Furthermore, we find no evidence of >1.5 MeV electrons in the inner zone during the entire time interval considered (April 2013 through September 2016). The energies we examine thus span a transition range in the steeply falling inner zone electron spectrum, where modest intensities are observed at 0.7 MeV, and no electrons are observed at 1.5 MeV. To validate the results obtained from the background corrected flux measurements, we also present detailed pulse-height spectra from individual MagEIS detectors. These measurements confirm our results and also reveal low-intensity inner zone and slot region electrons that are not captured in the standard background corrected data product. Lastly, we briefly discuss efforts to refine the upper limit of inner zone MeV electron flux obtained in earlier work.« less

The hidden dynamics of relativistic electrons (0.7-1.5 MeV) in the inner zone and slot region

DOE PAGES

Claudepierre, Seth G.; O'Brien, T. P.; Fennell, J. F.; ...

2017-03-15

We present measurements of relativistic electrons (0.7–1.5 MeV) in the inner zone and slot region obtained by the Magnetic Electron and Ion Spectrometer (MagEIS) instrument on Van Allen Probes. The data presented are corrected for background contamination, which is primarily due to inner-belt protons in these low-L regions. We find that ~1 MeV electrons were transported into the inner zone following the two largest geomagnetic storms of the Van Allen Probes era to date, the March and June 2015 events. As ~1 MeV electrons were not observed in Van Allen Probes data in the inner zone prior to these twomore » events, the injections created a new inner belt that persisted for at least 1.5 years. In contrast, we find that electrons injected into the slot region decay on much faster timescales, approximately tens of days. Furthermore, we find no evidence of >1.5 MeV electrons in the inner zone during the entire time interval considered (April 2013 through September 2016). The energies we examine thus span a transition range in the steeply falling inner zone electron spectrum, where modest intensities are observed at 0.7 MeV, and no electrons are observed at 1.5 MeV. To validate the results obtained from the background corrected flux measurements, we also present detailed pulse-height spectra from individual MagEIS detectors. These measurements confirm our results and also reveal low-intensity inner zone and slot region electrons that are not captured in the standard background corrected data product. Lastly, we briefly discuss efforts to refine the upper limit of inner zone MeV electron flux obtained in earlier work.« less

An evaluation of ionizing radiation emitted by high power microwave generators

NASA Astrophysics Data System (ADS)

Lovell, C. David; Bolch, W. Emmett

1992-02-01

Ionizing radiation emitted by electron-beam driven high power microwave (HPM) generators were measured in the near and far-field using lithium fluoride (LiF) thermoluminescent dosimeters (TLD's). Simplified photon energy spectra were determined by measuring radiation transmission, at electron beam energies of 300 to 650 keV, through various thicknesses of steel and lead attenuators. These data were used to calculate the effective energy of the x-rays produced by interactions between the electrons and the walls or other structures of the HPM generators. Operators were polled to determine locations of burn marks or other visible damage to locate potential ionizing radiation source regions.

Electronic-type vacuum gauges with replaceable elements

DOEpatents

Edwards, D. Jr.

1984-09-18

In electronic devices for measuring pressures in vacuum systems, the metal elements which undergo thermal deterioration are made readily replaceable by making them parts of a simple plug-in unit. Thus, in ionization gauges, the filament and grid or electron collector are mounted on the novel plug-in unit. In thermocouple pressure gauges, the heater and attached thermocouple are mounted on the plug-in unit. Plug-in units have been designed to function, alternatively, as ionization gauge and as thermocouple gauge, thus providing new gauges capable of measuring broader pressure ranges than is possible with either an ionization gauge or a thermocouple gauge. 5 figs.

Monte Carlo Simulations of Electron Energy-Loss Spectra with the Addition of Fine Structure from Density Functional Theory Calculations.

PubMed

Attarian Shandiz, Mohammad; Guinel, Maxime J-F; Ahmadi, Majid; Gauvin, Raynald

2016-02-01

A new approach is presented to introduce the fine structure of core-loss excitations into the electron energy-loss spectra of ionization edges by Monte Carlo simulations based on an optical oscillator model. The optical oscillator strength is refined using the calculated electron energy-loss near-edge structure by density functional theory calculations. This approach can predict the effects of multiple scattering and thickness on the fine structure of ionization edges. In addition, effects of the fitting range for background removal and the integration range under the ionization edge on signal-to-noise ratio are investigated.

Observation of correlated electronic decay in expanding clusters triggered by near-infrared fields

PubMed Central

Schütte, B.; Arbeiter, M.; Fennel, T.; Jabbari, G.; Kuleff, A.I.; Vrakking, M.J.J.; Rouzée, A.

2015-01-01

When an excited atom is embedded into an environment, novel relaxation pathways can emerge that are absent for isolated atoms. A well-known example is interatomic Coulombic decay, where an excited atom relaxes by transferring its excess energy to another atom in the environment, leading to its ionization. Such processes have been observed in clusters ionized by extreme-ultraviolet and X-ray lasers. Here, we report on a correlated electronic decay process that occurs following nanoplasma formation and Rydberg atom generation in the ionization of clusters by intense, non-resonant infrared laser fields. Relaxation of the Rydberg states and transfer of the available electronic energy to adjacent electrons in Rydberg states or quasifree electrons in the expanding nanoplasma leaves a distinct signature in the electron kinetic energy spectrum. These so far unobserved electron-correlation-driven energy transfer processes may play a significant role in the response of any nano-scale system to intense laser light. PMID:26469997

Inner-shell radiation from wire array implosions on the Zebra generator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ouart, N. D.; Giuliani, J. L.; Dasgupta, A.

2014-03-15

Implosions of brass wire arrays on Zebra have produced L-shell radiation as well as inner-shell Kα and Kβ transitions. The L-shell radiation comes from ionization stages around the Ne-like charge state that is largely populated by a thermal electron energy distribution function, while the K-shell photons are a result of high-energy electrons ionizing or exciting an inner-shell (1s) electron from ionization stages around Ne-like. The K- and L-shell radiations were captured using two time-gated and two axially resolved time-integrated spectrometers. The electron beam was measured using a Faraday cup. A multi-zone non-local thermodynamic equilibrium pinch model with radiation transport ismore » used to model the x-ray emission from experiments for the purpose of obtaining plasma conditions. These plasma conditions are used to discuss some properties of the electron beam generated by runaway electrons. A simple model for runaway electrons is examined to produce the Kα radiation, but it is found to be insufficient.« less

Experimental and theoretical triple differential cross sections for electron-impact ionization of Ar (3p) for equal energy final state electrons

NASA Astrophysics Data System (ADS)

Amami, Sadek; Ozer, Zehra N.; Dogan, Mevlut; Yavuz, Murat; Varol, Onur; Madison, Don

2016-09-01

There have been several studies of electron-impact ionization of inert gases for asymmetric final state energy sharing and normally one electron has an energy significantly higher than the other. However, there have been relatively few studies examining equal energy final state electrons. Here we report experimental and theoretical triple differential cross sections for electron impact ionization of Ar (3p) for equal energy sharing of the outgoing electrons. Previous experimental results combined with some new measurements are compared with distorted wave born approximation (DWBA) results, DWBA results using the Ward-Macek (WM) approximation for the post collision interaction (PCI), and three-body distorted wave (3DW) which includes PCI without approximation. The results show that it is crucially important to include PCI in the calculation particularly for lower energies and that the WM approximation is valid only for high energies. The 3DW, on the other hand, is in reasonably good agreement with data down to fairly low energies.

On-top density functionals for the short-range dynamic correlation between electrons of opposite and parallel spin

NASA Astrophysics Data System (ADS)

Hollett, Joshua W.; Pegoretti, Nicholas

2018-04-01

Separate, one-parameter, on-top density functionals are derived for the short-range dynamic correlation between opposite and parallel-spin electrons, in which the electron-electron cusp is represented by an exponential function. The combination of both functionals is referred to as the Opposite-spin exponential-cusp and Fermi-hole correction (OF) functional. The two parameters of the OF functional are set by fitting the ionization energies and electron affinities, of the atoms He to Ar, predicted by ROHF in combination with the OF functional to the experimental values. For ionization energies, the overall performance of ROHF-OF is better than completely renormalized coupled-cluster [CR-CC(2,3)] and better than, or as good as, conventional density functional methods. For electron affinities, the overall performance of ROHF-OF is less impressive. However, for both ionization energies and electron affinities of third row atoms, the mean absolute error of ROHF-OF is only 3 kJ mol-1.

Electron reversal ionizer for detection of trace species using a spherical cathode

NASA Technical Reports Server (NTRS)

Boumsellek, Said (Inventor); Chutjian, Ara (Inventor)

1994-01-01

A reversal electron, high-current ionizer capable of focusing a beam of electrons to a reversal region employs an indirectly heated cathode having a concave emitting surface of width of W less than 2r, where r is the radius of curvature and preferably a ratio of width to radius approximately equal to one for optimum high current for a given cathode width.

Electron energy balance and ionization in the channel of a stationary plasma thruster

DOE Office of Scientific and Technical Information (OSTI.GOV)

Veselovzorov, A. N., E-mail: Veselovzorov-AN@nrcki.ru; Pogorelov, A. A.; Svirskiy, E. B.

2016-03-15

The paper presents results of numerical simulations of the electron dynamics in the field of the azimuthal and longitudinal waves excited in the channel of a stationary plasma thruster (SPT). The simulations are based on the experimentally determined wave characteristics. The simulation results show that the azimuthal wave displayed as ionization instability enhances electron transport along the thruster channel. It is established that the electron transport rate in the azimuthal wave increases as compared to the rate of diffusion caused by electron scattering from neutral atoms in proportion to the ratio between the times of electron− neutral collisions responsible formore » ionization and elastic electron scattering, respectively. An expression governing the plasma conductivity is derived with allowance for electron interaction with the azimuthal wave. The Hall parameter, the electron component of the discharge current, and the electron heating power in the thruster channel are calculated for two model SPTs operating with krypton and xenon. The simulation results agree well with the results of experimental studies of these two SPTs.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Suvam; Naghma, Rahla; Kaur, Jaspreet

The total and ionization cross sections for electron scattering by benzene, halobenzenes, toluene, aniline, and phenol are reported over a wide energy domain. The multi-scattering centre spherical complex optical potential method has been employed to find the total elastic and inelastic cross sections. The total ionization cross section is estimated from total inelastic cross section using the complex scattering potential-ionization contribution method. In the present article, the first theoretical calculations for electron impact total and ionization cross section have been performed for most of the targets having numerous practical applications. A reasonable agreement is obtained compared to existing experimental observationsmore » for all the targets reported here, especially for the total cross section.« less

Electron propagator calculations on the ionization energies of CrH -, MnH - and FeH -

NASA Astrophysics Data System (ADS)

Lin, Jyh-Shing; Ortiz, J. V.

1990-08-01

Electron propagator calculations with unrestricted Hartree-Fock reference states yield the ionization energies of the title anions. Spin contamination in the anionic reference state is small, enabling the use of second-and third-order self-energies in the Dyson equation. Feynman-Dyson amplitudes for these ionizations are essentially identical to canonical spin-orbitals. For most of the final states, these consist of an antibonding combination of an sp metal hybrid, polarized away from the hydrogen, and hydroegen s functions. In one case, the Feynman-Dyson amplitude consists of nonbonding d functions. Calculated ionization energies are within 0.5 eV of experiment.

Measuring Elemental Abundances in Impulsive Heating Events with EIS

NASA Astrophysics Data System (ADS)

Warren, Harry; Doschek, George A.; Young, Peter

2015-04-01

It is well established that elemental abundances vary in the solar atmosphere and that this variation is organized by first ionization potential (FIP). Previous studies have indicated that in the solar corona low FIP elements, such as Fe, Si, and Mg, are enriched relative to high FIP elements, such as H, He, C, N, and O. In this paper we report on measurements of plasma composition made during transient heating events observed at transition region temperatures with the Extreme Ultraviolet Imaging Spectrometer (EIS) on Hinode. During these events the intensities of O IV, V, and VI emission lines are enhanced relative to emission lines from Mg V, VI, and VII and indicate a composition close to that of the photosphere. Differential emission measure calculations show a broad distribution of temperatures in these events. Long-lived coronal structures, in contrast, show an enrichment of low FIP elements and relatively narrow temperature distributions. We conjecture that plasma composition is an important signature of the coronal heating process, with impulsive heating leading to the evaporation of unfractionated material from the lower layers of the solar atmosphere and higher frequency heating leading to the accumulation of low-FIP elements in the corona.

An Electrochemical Impedance Spectroscopy-Based Technique to Identify and Quantify Fermentable Sugars in Pineapple Waste Valorization for Bioethanol Production

PubMed Central

Conesa, Claudia; García-Breijo, Eduardo; Loeff, Edwin; Seguí, Lucía; Fito, Pedro; Laguarda-Miró, Nicolás

2015-01-01

Electrochemical Impedance Spectroscopy (EIS) has been used to develop a methodology able to identify and quantify fermentable sugars present in the enzymatic hydrolysis phase of second-generation bioethanol production from pineapple waste. Thus, a low-cost non-destructive system consisting of a stainless double needle electrode associated to an electronic equipment that allows the implementation of EIS was developed. In order to validate the system, different concentrations of glucose, fructose and sucrose were added to the pineapple waste and analyzed both individually and in combination. Next, statistical data treatment enabled the design of specific Artificial Neural Networks-based mathematical models for each one of the studied sugars and their respective combinations. The obtained prediction models are robust and reliable and they are considered statistically valid (CCR% > 93.443%). These results allow us to introduce this EIS-based technique as an easy, fast, non-destructive, and in-situ alternative to the traditional laboratory methods for enzymatic hydrolysis monitoring. PMID:26378537

Analyses of electron runaway in front of the negative streamer channel

NASA Astrophysics Data System (ADS)

Babich, L. P.; Bochkov, E. I.; Kutsyk, I. M.; Neubert, T.; Chanrion, O.

2017-08-01

X-ray and γ-ray emissions, observed in correlation with negative leaders of lightning and long sparks of high-voltage laboratory experiments, are conventionally connected with the bremsstrahlung of high-energy runaway electrons (REs). Here we extend a focusing mechanism, analyzed in our previous paper, which allows the electric field to reach magnitudes, required for a generation of significant RE fluxes and associated bremsstrahlung, when the ionization wave propagates in a narrow, ionized channel created by a previous streamer. Under such conditions we compute the production rate of REs per unit streamer length as a function of the streamer velocity and predict that, once a streamer is formed with the electric field capable of producing REs ahead of the streamer front, the ionization induced by the REs is capable of creating an ionized channel that allows for self-sustained propagation of the RE-emitting ionization wave independent of the initial electron concentration. Thus, the streamer coronas of the leaders are probable sources of REs producing the observed high-energy radiation. To prove these predictions, new simulations are planned, which would show explicitly that the preionization in front of the channel via REs will lead to the ionization wave propagation self-consistent with RE generation.

Study on the influences of ionization region material arrangement on Hall thruster channel discharge characteristics

NASA Astrophysics Data System (ADS)

Xiang, HU; Ping, DUAN; Jilei, SONG; Wenqing, LI; Long, CHEN; Xingyu, BIAN

2018-02-01

There exists strong interaction between the plasma and channel wall in the Hall thruster, which greatly affects the discharge performance of the thruster. In this paper, a two-dimensional physical model is established based on the actual size of an Aton P70 Hall thruster discharge channel. The particle-in-cell simulation method is applied to study the influences of segmented low emissive graphite electrode biased with anode voltage on the discharge characteristics of the Hall thruster channel. The influences of segmented electrode placed at the ionization region on electric potential, ion number density, electron temperature, ionization rate, discharge current and specific impulse are discussed. The results show that, when segmented electrode is placed at the ionization region, the axial length of the acceleration region is shortened, the equipotential lines tend to be vertical with wall at the acceleration region, thus radial velocity of ions is reduced along with the wall corrosion. The axial position of the maximal electron temperature moves towards the exit with the expansion of ionization region. Furthermore, the electron-wall collision frequency and ionization rate also increase, the discharge current decreases and the specific impulse of the Hall thruster is slightly enhanced.

Autoionizing resonances in electron-impact ionization of O5+ ions

NASA Astrophysics Data System (ADS)

Müller, A.; Teng, H.; Hofmann, G.; Phaneuf, R. A.; Salzborn, E.

2000-12-01

We report on a detailed experimental and theoretical study of electron-impact ionization of O5+ ions. A high-resolution scan measurement of the K-shell excitation threshold region has been performed with statistical uncertainties as low as 0.03%. At this level of precision a wealth of features in the cross section arising from indirect ionization processes becomes visible, and even interference of direct ionization with resonant-excitation/auto-double-ionization (READI) is clearly observed. The experimental results are compared with R-matrix calculations that include both direct and indirect processes in a unified way. Radiative damping of autoionizing Li-like states is found to be about 10-15 %. The calculations almost perfectly reproduce most of the experimental resonance features found in the present measurement including READI. They also agree with the direct-ionization converged close-coupling results of I. Bray [J. Phys. B 28, L247 (1995)] and the absolute total ionization cross section measurement of K. Rinn et al. [Phys. Rev. A 36, 595 (1987)].

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aydinol, M., E-mail: aydinolm@dicle.edu.tr; Aydeniz, D., E-mail: daydeniz@hotmail.com

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}more » 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.« less

Visualizing and Steering Dissociative Frustrated Double Ionization of Hydrogen Molecules

NASA Astrophysics Data System (ADS)

Zhang, Wenbin; Yu, Zuqing; Gong, Xiaochun; Wang, Junping; Lu, Peifen; Li, Hui; Song, Qiying; Ji, Qinying; Lin, Kang; Ma, Junyang; Li, Hanxiao; Sun, Fenghao; Qiang, Junjie; Zeng, Heping; He, Feng; Wu, Jian

2017-12-01

We experimentally visualize the dissociative frustrated double ionization of hydrogen molecules by using few-cycle laser pulses in a pump-probe scheme, in which process the tunneling ionized electron is recaptured by one of the outgoing nuclei of the breaking molecule. Three internuclear distances are recognized to enhance the dissociative frustrated double ionization of molecules at different instants after the first ionization step. The recapture of the electron can be further steered to one of the outgoing nuclei as desired by using phase-controlled two-color laser pulses. Both the experimental measurements and numerical simulations suggest that the Rydberg atom is favored to emit to the direction of the maximum of the asymmetric optical field. Our results on the one hand intuitively visualize the dissociative frustrated double ionization of molecules, and on the other hand open the possibility to selectively excite the heavy fragment ejected from a molecule.

Characterization of a gated fiber-optic-coupled detector for application in clinical electron beam dosimetry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tanyi, James A.; Nitzling, Kevin D.; Lodwick, Camille J.

2011-02-15

Purpose: Assessment of the fundamental dosimetric characteristics of a novel gated fiber-optic-coupled dosimetry system for clinical electron beam irradiation. Methods: The response of fiber-optic-coupled dosimetry system to clinical electron beam, with nominal energy range of 6-20 MeV, was evaluated for reproducibility, linearity, and output dependence on dose rate, dose per pulse, energy, and field size. The validity of the detector system's response was assessed in correspondence with a reference ionization chamber. Results: The fiber-optic-coupled dosimetry system showed little dependence to dose rate variations (coefficient of variation {+-}0.37%) and dose per pulse changes (with 0.54% of reference chamber measurements). The reproducibilitymore » of the system was {+-}0.55% for dose fractions of {approx}100 cGy. Energy dependence was within {+-}1.67% relative to the reference ionization chamber for the 6-20 MeV nominal electron beam energy range. The system exhibited excellent linear response (R{sup 2}=1.000) compared to reference ionization chamber in the dose range of 1-1000 cGy. The output factors were within {+-}0.54% of the corresponding reference ionization chamber measurements. Conclusions: The dosimetric properties of the gated fiber-optic-coupled dosimetry system compare favorably to the corresponding reference ionization chamber measurements and show considerable potential for applications in clinical electron beam radiotherapy.« less

Vibrational and Electronic Energy Transfer and Dissociation of Diatomic Molecules by Electron Collisions

NASA Technical Reports Server (NTRS)

Huo, Winifred M.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

At high altitudes and velocities equal to or greater than the geosynchronous return velocity (10 kilometers per second), the shock layer of a hypersonic flight will be in thermochemical nonequilibrium and partially ionized. The amount of ionization is determined by the velocity. For a trans atmospheric flight of 10 kilometers per second and at an altitude of 80 kilometers, a maximum of 1% ionization is expected. At a velocity of 12 - 17 kilometer per second, such as a Mars return mission, up to 30% of the atoms and molecules in the flow field will be ionized. Under those circumstances, electrons play an important role in determining the internal states of atoms and molecules in the flow field and hence the amount of radiative heat load and the distance it takes for the flow field to re-establish equilibrium. Electron collisions provide an effective means of transferring energy even when the electron number density is as low as 1%. Because the mass of an electron is 12,760 times smaller than the reduced mass of N2, its average speed, and hence its average collision frequency, is more than 100 times larger. Even in the slightly ionized regime with only 1% electrons, the frequency of electron-molecule collisions is equal to or larger than that of molecule-molecule collisions, an important consideration in the low density part of the atmosphere. Three electron-molecule collision processes relevant to hypersonic flows will be considered: (1) vibrational excitation/de-excitation of a diatomic molecule by electron impact, (2) electronic excitation/de-excitation, and (3) dissociative recombination in electron-diatomic ion collisions. A review of available data, both theory and experiment, will be given. Particular attention will be paid to tailoring the molecular physics to the condition of hypersonic flows. For example, the high rotational temperatures in a hypersonic flow field means that most experimental data carried out under room temperatures are not applicable. Also, the average electron temperature is expected to be between 10,000 and 20,000 K. Thus only data for low energy electrons are relevant to the model.

Large-scale preparation of shape controlled SnO and improved capacitance for supercapacitors: from nanoclusters to square microplates

NASA Astrophysics Data System (ADS)

Wang, Lu; Ji, Hongmei; Zhu, Feng; Chen, Zhi; Yang, Yang; Jiang, Xuefan; Pinto, João; Yang, Gang

2013-07-01

Here, we first provide a facile ultrasonic-assisted synthesis of SnO using SnCl2 and the organic solvent of ethanolamine (ETA). The moderate alkalinity of ETA and ultrasound play very important roles in the synthesis of SnO. After the hydrolysis of the intermediate of ETA-Sn(ii), the as-synthesized SnO nanoclusters undergo assembly, amalgamation, and preferential growth to microplates in hydrothermal treatment. The as-synthesized SnO was characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), ultraviolet-visible absorption spectroscopy (UV-vis) and X-ray diffraction (XRD). To explore its potential applications in energy storage, SnO was fabricated into a supercapacitor electrode and characterized by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and galvanostatic charge-discharge measurements. The as-synthesized SnO exhibits remarkable pseudocapacitive activity including high specific capacitance (208.9 F g-1 at 0.1 A g-1), good rate capability (65.8 F g-1 at 40 A g-1), and excellent cycling stability (retention 119.3% after 10 000 cycles) for application in supercapacitors. The capacitive behavior of SnO with various crystal morphologies was observed by fitted EIS using an equivalent circuit. The novel synthetic route for SnO is a convenient and potential way to large-scale production of microplates which is expected to be applicable in the synthesis of other metal oxide nanoparticles.Here, we first provide a facile ultrasonic-assisted synthesis of SnO using SnCl2 and the organic solvent of ethanolamine (ETA). The moderate alkalinity of ETA and ultrasound play very important roles in the synthesis of SnO. After the hydrolysis of the intermediate of ETA-Sn(ii), the as-synthesized SnO nanoclusters undergo assembly, amalgamation, and preferential growth to microplates in hydrothermal treatment. The as-synthesized SnO was characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), ultraviolet-visible absorption spectroscopy (UV-vis) and X-ray diffraction (XRD). To explore its potential applications in energy storage, SnO was fabricated into a supercapacitor electrode and characterized by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and galvanostatic charge-discharge measurements. The as-synthesized SnO exhibits remarkable pseudocapacitive activity including high specific capacitance (208.9 F g-1 at 0.1 A g-1), good rate capability (65.8 F g-1 at 40 A g-1), and excellent cycling stability (retention 119.3% after 10 000 cycles) for application in supercapacitors. The capacitive behavior of SnO with various crystal morphologies was observed by fitted EIS using an equivalent circuit. The novel synthetic route for SnO is a convenient and potential way to large-scale production of microplates which is expected to be applicable in the synthesis of other metal oxide nanoparticles. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr00951c

[The study on the characteristics and particle densities of lightning discharge plasma].

PubMed

Wang, Jie; Yuan, Ping; Zhang, Hua-ming; Shen, Xiao-zhi

2008-09-01

According to the wavelengths, relative intensities and transition parameters of lines in cloud-to-ground lightning spectra obtained by a slit-less spectrograph in Qinghai province and Xizang municipality, and by theoretical calculations of plasma, the average temperature and electron density for individual lightning discharge channel were calculated, and then, using Saha equations, electric charge conservation equations and particle conservation equations, the particle densities of every ionized-state, the mass density, pressure and the average ionization degree were obtained. Moreover, the average ionization degree and characteristics of particle distributions in each lightning discharge channel were analyzed. Local thermodynamic equilibrium and an optically thin emitting gas were assumed in the calculations. The result shows that the characteristics of lightning discharge plasma have strong relationships with lightning intensities. For a certain return stroke channel, both temperatures and electron densities of different positions show tiny trend of falling away with increasing height along the discharge channel. Lightning channels are almost completely ionized, and the first ionized particles occupy the main station while N II has the highest particle density. On the other hand, the relative concentrations of N II and O II are near a constant in lightning channels with different intensities. Generally speaking, the more intense the lightning discharge, the higher are the values of channel temperature, electron density and relative concentrations of highly ionized particles, but the lower the concentration of the neutral atoms. After considering the Coulomb interactions between positive and negative particles in the calculations, the results of ionization energies decrease, and the particle densities of atoms and first ionized ions become low while high-ionized ions become high. At a temperature of 28000 K, the pressure of the discharge channel due to electrons, atoms and ions is about 10 atmospheric pressure, and it changes for different lightning stroke with different intensity. The mass density of channel is lower and changes from 0.01 to 0.1 compared to the mass density of air at standard temperature and pressure (STP).

Miniature Bipolar Electrostatic Ion Thruster

NASA Technical Reports Server (NTRS)

Hartley, Frank T.

2006-01-01

The figure presents a concept of a bipolar miniature electrostatic ion thruster for maneuvering a small spacecraft. The ionization device in the proposed thruster would be a 0.1-micron-thick dielectric membrane with metal electrodes on both sides. Small conical holes would be micromachined through the membrane and electrodes. An electric potential of the order of a volt applied between the membrane electrodes would give rise to an electric field of the order of several mega-volts per meter in the submicron gap between the electrodes. An electric field of this magnitude would be sufficient to ionize all the molecules that enter the holes. In a thruster-based on this concept, one or more propellant gases would be introduced into such a membrane ionizer. Unlike in larger prior ion thrusters, all of the propellant molecules would be ionized. This thruster would be capable of bipolar operation. There would be two accelerator grids - one located forward and one located aft of the membrane ionizer. In one mode of operation, which one could denote the forward mode, positive ions leaving the ionizer on the backside would be accelerated to high momentum by an electric field between the ionizer and an accelerator grid. Electrons leaving the ionizer on the front side would be ejected into free space by a smaller accelerating field. The equality of the ion and electron currents would eliminate the need for an additional electron- or ion-emitting device to keep the spacecraft charge-neutral. In another mode of operation, which could denote the reverse mode, the polarities of the voltages applied to the accelerator grids and to the electrodes of the membrane ionizer would be the reverse of those of the forward mode. The reversal of electric fields would cause the ion and electrons to be ejected in the reverse of their forward mode directions, thereby giving rise to thrust in the direction opposite that of the forward mode.

A New Octadecenoic Acid Derivative from Caesalpinia gilliesii Flowers with Potent Hepatoprotective Activity

PubMed Central

Osman, Samir M.; El-Haddad, Alaadin E.; El-Raey, Mohamed A.; Abd El-Khalik, Soad M.; Koheil, Mahmoud A.; Wink, Michael

2016-01-01

Background: Caesalpinia gilliesii Hook is an ornamental shrub with showy yellow flowers. It was used in folk medicine due to its contents of different classes of secondary metabolites. In our previous study, dichloromethane extract of C. gilliesii flowers showed a good antioxidant activity. Aim of the Study: Isolation and identification of bioactive hepatoprotective compounds from C. gilliesii flowers dichloromethane fraction. Materials and Methods: The hepatoprotective activity of dichloromethane fraction and isolated compounds were studied in CCl4-intoxicated rat liver slices by measuring liver injury markers (alanine aminotransferase, aspartate aminotransferase and glutathione [GSH]). All compounds were structurally elucidated on the basis of electron ionization-mass spectrometry, one- and two-dimensional nuclear magnetic resonance. Results: A new 12,13,16-trihydroxy-14(Z)-octadecenoic acid was identified in addition to the known β-sitosterol-3-O-butyl, daucosterol, isorhamnetin, isorhamnetin-3-O-rhamnoside, luteolin-7,4’-dimethyl ether, genistein-5-methyl ether, luteolin-7-O-rhamnoside, isovanillic acid, and p-methoxybenzoic acid. Dichloromethane fraction and isorhamnetin were able to significantly protect the liver against intoxication. Moreover, the dichloromethane fraction and the isolated phytosterols induced GSH above the normal level. Conclusion: The hepatoprotective activity of C. gilliesii may be attributed to its high content of phytosterols and phenolic compounds. SUMMARY Bioactive Hepatoprotective phytosterols and phenolics from chloroform extract of Caesalpinia gilliesii Abbreviations used: ALT: Alanine Aminotransferase; AST: Aspartate aminotransferase; GSH: Glutathione; SC50: Scavenging Capacity 50 (SC 50); COSY: Correlation spectroscopy; NMR: Nuclear Magnetic Resonance; CC: Column chromatography; EI-MS: Electron-impact mass spectrometry; HSQC: Heteronuclear single-quantum correlation. PMID:27563221

Double-differential cross section for ionization of H2O molecules by 4-MeV/u C6 + and Si13 + ions

NASA Astrophysics Data System (ADS)

Bhattacharjee, Shamik; Biswas, S.; Monti, J. M.; Rivarola, R. D.; Tribedi, L. C.

2017-11-01

Double-differential cross section (DDCS) for electrons ejected in collisions of fast C6 + and Si13 + projectiles, with a H2O vapor target, were measured. The electrons were detected over an energy range of 1-600 eV and an angular range of 20∘-160∘. The obtained DDCS spectra, for both the ions, were compared with the CDW-EIS model. Occasional reference has been made to the DDCS data for the case of 3.75-MeV/u O8 + colliding on the same molecule for an overall comparison. A reasonable agreement with theoretical results was seen for the case of C6 + and O8 + projectiles. However, between C6 + and O8 + projectiles, the deviation from theory is larger for the case of the carbon projectile. Substantial deviation starts to show up for the case of the Si13 + projectile. By numerical integration of the DDCS data, the single-differential cross section (SDCS) and total cross section (TCS) were obtained and compared with theoretical models. The present TCS data along with the other available data for p , He , and C ions were plotted together. A clear and gradual deviation from the Bethe-Born predicted q2 scaling was observed, where q is the projectile charge state. From all the data we find TCS varies as qn where n = 1.7 ± 0.1. The provided data set will be valuable in order to help model the radiation damage in hadron therapy, particularly in the Bragg peak region.

Recent Advances in Understanding Radiation Belt Dynamics in the Earth's Inner Zone and Slot Region

NASA Astrophysics Data System (ADS)

Li, X.

2015-12-01

Comprehensive measurements of the inner belt protons from the Relativistic Electron and Proton Telescope (REPT) onboard Van Allen Probes, in a geo-transfer-like orbit, revealed new features of inner belt protons in terms of their spectrum distribution, spatial distribution, pitch angle distribution, and their different source populations. Concurrent measurements from the Relativistic Electron and Proton Telescope integrated little experiment (REPTile) on board Colorado Student Space Weather Experiment (CSSWE) CubeSat, in a highly inclined low Earth orbit, and REPT demonstrated that there exist sub-MeV electrons in the inner belt and their flux level is orders of magnitude higher than the background associated with the inner belt protons, while higher energy electron (>1.6 MeV) measurements cannot be distinguished from the background. Analysis on sub-MeV electrons data in the inner belt and slot region from the Magnetic Electron Ion Spectrometer (MagEIS) on board Van Allen Probes revealed rather complicated pitch angle distribution of these energetic electrons, with the 90 deg-minimum (butterfly) pitch angle distribution dominating near the magnetic equator. Furthermore, it is clearly shown from MagEIS measurements that 10s - 100s keV electrons are commonly seen penetrating into the inner belt region during geomagnetic active times while protons of similar energies are hardly seen there. These are part of a summary of the most recent measurements and understanding of the dynamics of energetic particles in the inner zone and slot region to be exhibited and discussed in this presentation.

Triple differential cross sections for the electron-impact ionization of H{sub 2} molecules for equal and unequal outgoing electron energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Colgan, J.; Al-Hagan, O.; Madison, D. H.

A comprehensive theoretical and experimental investigation of the triple differential cross sections arising from the electron-impact ionization of molecular hydrogen is made, at an incident electron energy of 35.4 eV, for cases where the outgoing electrons have equal and unequal energies, and for a range of experimental geometries. Generally, good agreement is found between two theoretical approaches and experiment, with the best agreement arising for intermediate geometries with large gun angles and for the perpendicular geometry.

Above-Threshold Ionization by an Elliptically Polarized Field: Quantum Tunneling Interferences and Classical Dodging

NASA Astrophysics Data System (ADS)

Paulus, G. G.; Zacher, F.; Walther, H.; Lohr, A.; Becker, W.; Kleber, M.

1998-01-01

Measurements of above-threshold ionization electron spectra in an elliptically polarized field as a function of the ellipticity are presented. In the rescattering regime, electron yields quickly drop with increasing ellipticity. The yields of lower-energy electrons rise again when circular polarization is approached. A classical explanation for these effects is provided. Additional local maxima in the yields of lower-energy electrons can be interpreted as being due to interferences of electron trajectories that tunnel out at different times within one cycle of the field.

Timing Recollision in Nonsequential Double Ionization by Intense Elliptically Polarized Laser Pulses.

PubMed

Kang, H; Henrichs, K; Kunitski, M; Wang, Y; Hao, X; Fehre, K; Czasch, A; Eckart, S; Schmidt, L Ph H; Schöffler, M; Jahnke, T; Liu, X; Dörner, R

2018-06-01

We examine correlated electron and doubly charged ion momentum spectra from strong field double ionization of neon employing intense elliptically polarized laser pulses. An ellipticity-dependent asymmetry of correlated electron and ion momentum distributions has been observed. Using a 3D semiclassical model, we demonstrate that our observations reflect the subcycle dynamics of the recollision process. Our Letter reveals a general physical picture for recollision impact double ionization with elliptical polarization and demonstrates the possibility of ultrafast control of the recollision dynamics.

Timing Recollision in Nonsequential Double Ionization by Intense Elliptically Polarized Laser Pulses

NASA Astrophysics Data System (ADS)

Kang, H.; Henrichs, K.; Kunitski, M.; Wang, Y.; Hao, X.; Fehre, K.; Czasch, A.; Eckart, S.; Schmidt, L. Ph. H.; Schöffler, M.; Jahnke, T.; Liu, X.; Dörner, R.

2018-06-01

We examine correlated electron and doubly charged ion momentum spectra from strong field double ionization of neon employing intense elliptically polarized laser pulses. An ellipticity-dependent asymmetry of correlated electron and ion momentum distributions has been observed. Using a 3D semiclassical model, we demonstrate that our observations reflect the subcycle dynamics of the recollision process. Our Letter reveals a general physical picture for recollision impact double ionization with elliptical polarization and demonstrates the possibility of ultrafast control of the recollision dynamics.

Measurement of laser activated electron tunneling from semiconductor zinc oxide to adsorbed organic molecules by a matrix assisted laser desorption ionization mass spectrometer.

PubMed

Zhong, Hongying; Fu, Jieying; Wang, Xiaoli; Zheng, Shi

2012-06-04

Measurement of light induced heterogeneous electron transfer is important for understanding of fundamental processes involved in chemistry, physics and biology, which is still challenging by current techniques. Laser activated electron tunneling (LAET) from semiconductor metal oxides was observed and characterized by a MALDI (matrix assisted laser desorption ionization) mass spectrometer in this work. Nanoparticles of ZnO were placed on a MALDI sample plate. Free fatty acids and derivatives were used as models of organic compounds and directly deposited on the surface of ZnO nanoparticles. Irradiation of UV laser (λ=355 nm) with energy more than the band gap of ZnO produces ions that can be detected in negative mode. When TiO(2) nanoparticles with similar band gap but much lower electron mobility were used, these ions were not observed unless the voltage on the sample plate was increased. The experimental results indicate that laser induced electron tunneling is dependent on the electron mobility and the strength of the electric field. Capture of low energy electrons by charge-deficient atoms of adsorbed organic molecules causes unpaired electron-directed cleavages of chemical bonds in a nonergodic pathway. In positive detection mode, electron tunneling cannot be observed due to the reverse moving direction of electrons. It should be able to expect that laser desorption ionization mass spectrometry is a new technique capable of probing the dynamics of electron tunneling. LAET offers advantages as a new ionization dissociation method for mass spectrometry. Copyright © 2012 Elsevier B.V. All rights reserved.

Determination of equilibrium electron temperature and times using an electron swarm model with BOLSIG+ calculated collision frequencies and rate coefficients

DOE PAGES

Pusateri, Elise N.; Morris, Heidi E.; Nelson, Eric M.; ...

2015-08-04

Electromagnetic pulse (EMP) events produce low-energy conduction electrons from Compton electron or photoelectron ionizations with air. It is important to understand how conduction electrons interact with air in order to accurately predict EMP evolution and propagation. An electron swarm model can be used to monitor the time evolution of conduction electrons in an environment characterized by electric field and pressure. Here a swarm model is developed that is based on the coupled ordinary differential equations (ODEs) described by Higgins et al. (1973), hereinafter HLO. The ODEs characterize the swarm electric field, electron temperature, electron number density, and drift velocity. Importantmore » swarm parameters, the momentum transfer collision frequency, energy transfer collision frequency, and ionization rate, are calculated and compared to the previously reported fitted functions given in HLO. These swarm parameters are found using BOLSIG+, a two term Boltzmann solver developed by Hagelaar and Pitchford (2005), which utilizes updated cross sections from the LXcat website created by Pancheshnyi et al. (2012). We validate the swarm model by comparing to experimental effective ionization coefficient data in Dutton (1975) and drift velocity data in Ruiz-Vargas et al. (2010). In addition, we report on electron equilibrium temperatures and times for a uniform electric field of 1 StatV/cm for atmospheric heights from 0 to 40 km. We show that the equilibrium temperature and time are sensitive to the modifications in the collision frequencies and ionization rate based on the updated electron interaction cross sections.« less

Connecting the dots: a correlation between ionizing radiation and cloud mass-loss rate traced by optical integral field spectroscopy

NASA Astrophysics Data System (ADS)

McLeod, A. F.; Gritschneder, M.; Dale, J. E.; Ginsburg, A.; Klaassen, P. D.; Mottram, J. C.; Preibisch, T.; Ramsay, S.; Reiter, M.; Testi, L.

2016-11-01

We present an analysis of the effect of feedback from O- and B-type stars with data from the integral field spectrograph Multi Unit Spectroscopic Explorer (MUSE) mounted on the Very Large Telescope of pillar-like structures in the Carina Nebular Complex, one of the most massive star-forming regions in the Galaxy. For the observed pillars, we compute gas electron densities and temperatures maps, produce integrated line and velocity maps of the ionized gas, study the ionization fronts at the pillar tips, analyse the properties of the single regions, and detect two ionized jets originating from two distinct pillar tips. For each pillar tip, we determine the incident ionizing photon flux Q0, pil originating from the nearby massive O- and B-type stars and compute the mass-loss rate dot{M} of the pillar tips due to photoevaporation caused by the incident ionizing radiation. We combine the results of the Carina data set with archival MUSE data of a pillar in NGC 3603 and with previously published MUSE data of the Pillars of Creation in M16, and with a total of 10 analysed pillars, find tight correlations between the ionizing photon flux and the electron density, the electron density and the distance from the ionizing sources, and the ionizing photon flux and the mass-loss rate. The combined MUSE data sets of pillars in regions with different physical conditions and stellar content therefore yield an empirical quantification of the feedback effects of ionizing radiation. In agreement with models, we find that dot{M}∝ Q_0,pil^{1/2}.

Compendium of Current Total Ionizing Dose and Displacement Damage Results from NASA Goddard Space Flight Center and Selected NASA Electronic Parts and Packaging Program

NASA Technical Reports Server (NTRS)

Topper, Alyson D.; Campola, Michael J.; Chen, Dakai; Casey, Megan C.; Yau, Ka-Yen; Cochran, Donna J.; LaBel, Kenneth A.; Ladbury, Raymond L.; Lauenstein, Jean-Marie; Mondy, Timothy K.;

Current Total Ionizing Dose Results and Displacement Damage Results for Candidate Spacecraft Electronics for NASA

NASA Technical Reports Server (NTRS)

Cochran, Donna J.; Kniffin, Scott D.; LaBel, Kenneth A.; OBryan, Martha V.; Reed, Robert A.; Ladbury, Ray L.; Howard, James W., Jr.; Poivey, Christian; Buchner, Stephen P.; Marshall, Cheryl J.

2004-01-01

We present data on the vulnerability of a variety of candidate spacecraft electronics to total ionizing dose and displacement damage. Devices tested include optoelectronics, digital, analog, linear bipolar devices, hybrid devices, Analog-to-Digital Converters (ADCs), and Digital-to-Analog Converters (DACS), among others.

Total Ionizing Dose Results and Displacement Damage Results for Candidate Spacecraft Electronics for NASA

NASA Technical Reports Server (NTRS)

Cochran, Donna J.; Kniffin, Scott D.; LaBel, Kenneth A.; OBryan, Martha V.; Reed, Robert A.; Ladbury, Ray L.; Howard, James W., Jr.; Poivey, Christian; Buchner, Stephen P.; Marshall, Cheryl J.

2003-01-01

We present data on the vulnerability of a variety of candidate spacecraft electronics to total ionizing dose and displacement damage. Devices tested include optoelectronics, digital, analog, linear bipolar devices, hybrid devices, Analog-to-Digital Converters (ADCs), and Digital-to-Analog Converters (DACs), among others.

Evolution of relativistic outer belt electrons during extended quiescent period

NASA Astrophysics Data System (ADS)

Jaynes, A. N.; Li, X.; Schiller, Q.; Blum, L. W.; Tu, W.; Malaspina, D.; Turner, D.; Baker, D. N.; Kanekal, S. G.; Blake, J. B.; Wygant, J. R.

2013-12-01

To effectively study loss due to precipitation of relativistic electron fluxes in the radiation belt, it is necessary to isolate this loss from the Dst effect and magnetopause shadowing by studying loss during a time of relatively quiet geomagnetic activity. We present a study of the slow decay of 200 keV - 2 MeV electron populations in the outer radiation belt during an extended quiescent period from ~15 Dec 2012 - 10 Jan 2013, wherein Dst never extended below -25 nT. We incorporate particle measurements from the Relativistic Electron and Proton Telescope integrated little experiment (REPTile) onboard the Colorado Student Space Weather Experiment (CSSWE) CubeSat with measurements from the Relativistic Electron Proton Telescope (REPT) and the Magnetic Electron Ion Spectrometer (MagEIS) on the Van Allen Probes twin spacecraft to understand the evolution of the electron populations across pitch angle and energy. First, we present REPTile measurements of the precipitating populations (along with trapped & quasi-trapped) at a low-earth orbit, offering a view into the loss cone that is not as easily resolved using only the Van Allen Probes. Electron loss to the atmosphere during this event is quantified through use of a precipitation loss model, using the REPTile measurements. Additionally, phase space densities are derived using pitch-angle-resolved flux data from the REPT and MagEIS instruments, as well as from THEMIS SST data. Finally, we present the net loss effect on the outer radiation belt content during this time, by incorporating the modeled precipitation loss (from REPTile measurements) with Van Allen Probes electron flux data. Hiss and chorus wave data, along with approximate plasmapause location, from Van Allen Probes' Electric Field and Waves Suite (EFW) completes the picture by suggesting mechanisms for the precipitation loss of relativistic electrons during quiet time.

Electron- and proton-induced ionization of pyrimidine

DOE PAGES

Champion, Christophe; Quinto, Michele; Weck, Philippe F

2015-03-27

This present work describes a quantum-mechanically based model of the electron- and proton-induced ionization of isolated pyrimidine molecules. The impact energies range from the target ionization threshold up to ~1 keV for electrons and from 10 keV up to 10 MeV for protons. The cross-section calculations are performed within the 1st Born approximation in which the ejected electron is described by a Coulomb wave whereas the incident and the scattered projectiles are both described by plane waves. The pyrimidine target is described using the Gaussian 09 software package. Furthermore, our theoretical predictions obtained are in good agreement with experimental absolutemore » total cross sections, while large discrepancies are observed between existing semi-empirical models and the present calculations.« less

Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory.

PubMed

Klinkusch, Stefan; Saalfrank, Peter; Klamroth, Tillmann

2009-09-21

We report simulations of laser-pulse driven many-electron dynamics by means of a simple, heuristic extension of the time-dependent configuration interaction singles (TD-CIS) approach. The extension allows for the treatment of ionizing states as nonstationary states with a finite, energy-dependent lifetime to account for above-threshold ionization losses in laser-driven many-electron dynamics. The extended TD-CIS method is applied to the following specific examples: (i) state-to-state transitions in the LiCN molecule which correspond to intramolecular charge transfer, (ii) creation of electronic wave packets in LiCN including wave packet analysis by pump-probe spectroscopy, and, finally, (iii) the effect of ionization on the dynamic polarizability of H(2) when calculated nonperturbatively by TD-CIS.

Coupled-Sturmian and perturbative treatments of electron transfer and ionization in high-energy p-He+ collisions

NASA Astrophysics Data System (ADS)

Winter, Thomas G.; Alston, Steven G.

1992-02-01

Cross sections have been determined for electron transfer and ionization in collisions between protons and He+ ions at proton energies from several hundred kilo-electron-volts to 2 MeV. A coupled-Sturmian approach is taken, extending the work of Winter [Phys. Rev. A 35, 3799 (1987)] and Stodden et al. [Phys. Rev. A 41, 1281 (1990)] to high energies where perturbative approaches are expected to be valid. An explicit connection is made with the first-order Born approximation for ionization and the impulse version of the distorted, strong-potential Born approximation for electron transfer. The capture cross section is shown to be affected by the presence of target basis functions of positive energy near v2/2, corresponding to the Thomas mechanism.

Remote control of the dissociative ionization of H2 based on electron-H2 + entanglement

NASA Astrophysics Data System (ADS)

Wang, Jun-Ping; He, Feng

2018-04-01

The single ionization of H2 in strong laser fields creates the correlated electron-H2 + pair. Based on such a correlation, we conceive a strategy to control the energy spectra of the freed electron or dissociative fragments by simulating the time-dependent Schrödinger equation. Two attosecond pulses in a train produce the replica of electron-H2 + pairs, which are to be steered by a time-delayed phase-stabilized (mid)infrared laser pulse. By controlling the behavior of the freed electron, the dissociation of H2 + can be controlled even though there is no direct laser-H2 + coupling. On the other hand, the photoelectron energy spectra can be manipulated via laser-H2 + coupling. This study demonstrates the entanglement of molecular quantum wave packets, and affords a route to remotely control molecular dissociative ionization.

A combined thermal dissociation and electron impact ionization source for RIB generation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alton, G.D.; Williams, C.

1995-12-31

The probability for simultaneously dissociating and efficiently ionizing the individual atomic constituents of molecular feed materials with conventional, hot-cathode, electron-impact ion sources is low and consequently, the ion beams from these sources often appear as mixtures of several molecular sideband beams. This fragmentation process leads to dilution of the intensity of the species of interest for RIB applications where beam intensity is at a premium. We have conceived an ion source that combines the excellent molecular dissociation properties of a thermal dissociator and the high ionization efficiency characteristics of an electron impact ionization source that will, in principle, overcome thismore » handicap. The source concept will be evaluated as a potential candidate for use for RIB generation at the Holifield Radioactive Ion Beam Facility (HRIBF), now under construction at the Oak Ridge National Laboratory. The design features and principles of operation of the source are described in this article.« less

The study of ionization by electron impact of a substance simulating spent nuclear fuel components

NASA Astrophysics Data System (ADS)

Antonov, N. N.; Bochkarev, E. I.; Gavrikov, A. V.; Samokhin, A. A.; Smirnov, V. P.

2015-11-01

Plasma sources of model substances are necessary to solve problems associated with development of the spent nuclear fuel (SNF) plasma separation method. Lead was chosen to simulate kinetic and dynamic properties of the heavy SNF components. In this paper we present the results of a study of a lead vapor discharge with a lead concentration of 1012-1013 cm-3. Ionization was carried out by an electron beam (with energy of up to 500 eV per electron) inside a centimeter gap between planar electrodes. The discharge was numerically modeled using the hydrodynamic and single-particle approximation. Current-voltage characteristics and single ionization efficiency were obtained as functions of the vapors concentration and thermoelectric current. An ion current of hundreds of microamperes at the ionization efficiency near tenths of a percent was experimentally obtained. These results are in good agreement with our model.

Chemical Understanding of the Limited Site-Specificity in Molecular Inner-Shell Photofragmentation

DOE PAGES

Inhester, Ludger; Oostenrijk, Bart; Patanen, Minna; ...

2018-02-14

In many cases fragmentation of molecules upon inner-shell ionization is very unspecific with respect to the initially localized ionization site. Often this finding is interpreted in terms of an equilibration of internal energy into vibrational degrees of freedom after Auger decay. In this paper, we investigate the X-ray photofragmentation of ethyl trifluoroacetate upon core electron ionization at environmentally distinct carbon sites using photoelectron–photoion–photoion coincidence measurements and ab initio electronic structure calculations. For all four carbon ionization sites, the Auger decay weakens the same bonds and transfers the two charges to opposite ends of the molecule, which leads to a rapidmore » dissociation into three fragments, followed by further fragmentation steps. Finally, the lack of site specificity is attributed to the character of the dicationic electronic states after Auger decay instead of a fast equilibration of internal energy.« less

Identification of doubly excited states in nonsequential double ionization of Ar in strong laser fields

NASA Astrophysics Data System (ADS)

Chen, Zhangjin; Li, Xiaojin; Sun, Xiaoli; Hao, Xiaolei; Chen, Jing

2017-12-01

We use the semiclassical model to study the intensity dependence of nonsequential double ionization (NSDI) of Ar in short strong laser pulses. The contributions to NSDI through sequential ionization of doubly excited states (SIDE) are identified by tracking the energy trajectories of the two outgoing electrons. The correlated electron momentum distributions are calculated from which the longitudinal momentum distributions of the fast and the slow electrons for the side-by-side and the back-to-back emissions are obtained. The simulated momentum distributions of the fast and the slow electrons for NSDI of Ar by linearly polarized fields with a wavelength of 795 nm at an intensity of 7 × 1013 W cm-2 are in good agreement with the experimental measurements of Liu et al (2014 Phys. Rev. Lett. 112 013003). We demonstrate that the process of double ionization through SIDE dominates NSDI only when the laser intensities are below the recollision threshold; nevertheless, for higher intensities the SIDE process still takes place although the contribution to the NSDI yields decreases rapidly as the intensity increases. It has been found that for SIDE at different intensities, both the correlated electron momentum spectra and the momentum distributions of the fast and the slow electrons remain the same.

Effects of ionization and ion loss on dust ion-acoustic solitary waves in a collisional dusty plasma with suprathermal electrons

NASA Astrophysics Data System (ADS)

Mayout, Saliha; Gougam, Leila Ait; Tribeche, Mouloud

2016-03-01

The combined effects of ionization, ion loss, and electron suprathermality on dust ion-acoustic solitary waves in a collisional dusty plasma are examined. Carrying out a small but finite amplitude analysis, a damped Korteweg-de Vries (dK-dV) equation is derived. The damping term decreases with the increase of the spectral index and saturates for Maxwellian electrons. Choosing typical plasma parameters, the analytical approximate solution of the dK-dV equation is numerically analyzed. We first neglect the ionization and ion loss effects and account only for collisions to estimate the relative importance between these damping terms which can act concurrently. Interestingly, we found that as the suprathermal character of the electrons becomes important, the strength of the collisions related dissipation becomes more important and causes the dust ion-acoustic solitary wave amplitude to decay more rapidly. Moreover, the collisional damping may largely prevail over the ionization and ion loss related damping. The latter becomes more effective as the electrons evolve far away from their thermal equilibrium. Our results complement and provide new insights into previously published work on this problem.

Effects of ionization and ion loss on dust ion- acoustic solitary waves in a collisional dusty plasma with suprathermal electrons

NASA Astrophysics Data System (ADS)

Tribeche, Mouloud; Mayout, Saliha

2016-07-01

The combined effects of ionization, ion loss and electron suprathermality on dust ion- acoustic solitary waves in a collisional dusty plasma are examined. Carrying out a small but finite amplitude analysis, a damped Korteweg- de Vries (dK-- dV) equation is derived. The damping term decreases with the increase of the spectral index and saturates for Maxwellian electrons. Choosing typical plasma parameters, the analytical approximate solution of the dK- dV equation is numerically analyzed. We first neglect the ionization and ion loss effects and account only for collisions to estimate the relative importance between these damping terms which can act concurrently. Interestingly, we found that as the suprathermal character of the electrons becomes important, the strength of the collisions related dissipation becomes more important and causes the DIA solitary wave amplitude to decay more rapidly. Moreover, the collisional damping may largely prevail over the ionization and ion loss related damping. The latter becomes more effective as the electrons evolve far away from their thermal equilibrium. Our results complement and provide new insights into previously published work on this problem.

Compendium of Single Event Effects, Total Ionizing Dose, and Displacement Damage for Candidate Spacecraft Electronics for NASA

NASA Technical Reports Server (NTRS)

LaBel, Kenneth A.; OBryan, Martha V.; Chen, Dakai; Campola, Michael J.; Casey, Megan C.; Pellish, Jonathan A.; Lauenstein, Jean-Marie; Wilcox, Edward P.; Topper, Alyson D.; Ladbury, Raymond L.;

Electron residual energy due to stochastic heating in field-ionized plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khalilzadeh, Elnaz; The Plasma Physics and Fusion Research School, Tehran; Yazdanpanah, Jam, E-mail: jamal.yazdan@gmail.com

2015-11-15

The electron residual energy originated from the stochastic heating in under-dense field-ionized plasma is investigated here. Initially, the optical response of plasma is modeled by using two counter-propagating electromagnetic waves. In this case, the solution of motion equation of a single electron indicates that by including the ionization, the electron with higher residual energy compared with that without ionization could be obtained. In agreement with chaotic nature of the motion, it is found that the electron residual energy will be significantly changed by applying a minor change in the initial conditions. Extensive kinetic 1D-3V particle-in-cell simulations have been performed inmore » order to resolve full plasma reactions. In this way, two different regimes of plasma behavior are observed by varying the pulse length. The results indicate that the amplitude of scattered fields in a proper long pulse length is high enough to act as a second counter-propagating wave and trigger the stochastic electron motion. On the contrary, the analyses of intensity spectrum reveal the fact that the dominant scattering mechanism tends to Thomson rather than Raman scattering by increasing the pulse length. A covariant formalism is used to describe the plasma heating so that it enables us to measure electron temperature inside and outside of the pulse region.« less

Photo-triggering and secondary electron produced ionization in electric discharge ArF* excimer lasers

NASA Astrophysics Data System (ADS)

Xiong, Zhongmin; Kushner, Mark J.

2011-10-01

Electric discharge excimer lasers are sustained in multi-atmosphere attaching gas mixtures that are typically preionized to enable a reproducible, uniform glow, which maximizes optical quality and gain. This preionization is often accomplished using UV light produced by a corona discharge within the plasma cavity. To quantify the relationship between corona discharge properties and those of the laser discharge, the triggering of electron avalanche by preionizing UV light in an electric discharge-pumped ArF* excimer laser was numerically investigated using a two-dimensional model. The preionizing UV fluxes were generated by a corona-bar discharge driven by the same voltage pulse as the main discharge sustained in a multi-atmospheric Ne/Ar/Xe/F2 gas mixture. The resulting peak photo-electron density in the inter-electrode spacing is around 108 cm-3, and its distribution is biased toward the UV source. The preionization density increases with increasing dielectric constant and capacitance of the corona bar. The symmetry and uniformity of the discharge are, however, improved significantly once the main avalanche develops. In addition to bulk electron impact ionization, the ionization generated by sheath accelerated secondary electrons was found to be important in sustaining the discharge current at experimentally observed values. At peak current, the magnitude of the ionization by sheath accelerated electrons is comparable to that from bulk electron impact in the vicinity of the cathode.

[Morphology determination of ionization region in multi-needle-to-plate negative corona discharge].

PubMed

Su, Peng-Hao; Zhu, Yi-Min; Chen, Hai-Feng

2007-11-01

Based on the former work on the current-voltage characteristics of a multi-needle-to-plate negative corona discharge at atmospheric pressure, the present work uses the method of OES (optical emission spectrum) for measuring N2 emission spectrum, and the morphology determination of the ionization region has been investigated. According to the distribution of N2 second positive band's intensity I(SPB), the highest of all bands, the outline of the ionization region was drawn fairly accurately. The relationship between I(SPB) and discharge current I can be obtained through the volume integral of the I(SPB). The experimental results show that the size of the ionization region enhances with the rise of the applied voltage U, and the electron avalanche begins at about 1 mm off the tips of needle electrode and multiplies only in the range of several millimeters, indicating that, the range of the ionization region is at the magnitude of mm. The electron avalanche along the axis of the needle develops farther than that along the radial direction of needle, and the shape of the ionization region looks like a bullet. The integral of I(SPB) is second-order linear to I, with a very second order coefficient, meaning that the main excited substance is N2. Energetic electrons mainly exist in ionization region while ions are the main charged particles to form discharge current in the transfer region.

Possible standoff detection of ionizing radiation using high-power THz electromagnetic waves

NASA Astrophysics Data System (ADS)

Nusinovich, Gregory S.; Sprangle, Phillip; Romero-Talamas, Carlos A.; Rodgers, John; Pu, Ruifeng; Kashyn, Dmytro G.; Antonsen, Thomas M., Jr.; Granatstein, Victor L.

2012-06-01

Recently, a new method of remote detection of concealed radioactive materials was proposed. This method is based on focusing high-power short wavelength electromagnetic radiation in a small volume where the wave electric field exceeds the breakdown threshold. In the presence of free electrons caused by ionizing radiation, in this volume an avalanche discharge can then be initiated. When the wavelength is short enough, the probability of having even one free electron in this small volume in the absence of additional sources of ionization is low. Hence, a high breakdown rate will indicate that in the vicinity of this volume there are some materials causing ionization of air. To prove this concept a 0.67 THz gyrotron delivering 200-300 kW power in 10 microsecond pulses is under development. This method of standoff detection of concealed sources of ionizing radiation requires a wide range of studies, viz., evaluation of possible range, THz power and pulse duration, production of free electrons in air by gamma rays penetrating through container walls, statistical delay time in initiation of the breakdown in the case of low electron density, temporal evolution of plasma structure in the breakdown and scattering of THz radiation from small plasma objects. Most of these issues are discussed in the paper.

Excited level populations and excitation kinetics of nonequilibrium ionizing argon discharge plasma of atmospheric pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Akatsuka, Hiroshi

2009-04-15

Population densities of excited states of argon atoms are theoretically examined for ionizing argon plasma in a state of nonequilibrium under atmospheric pressure from the viewpoint of elementary processes with collisional radiative model. The dependence of excited state populations on the electron and gas temperatures is discussed. Two electron density regimes are found, which are distinguished by the population and depopulation mechanisms for the excited states in problem. When the electron impact excitation frequency for the population or depopulation is lower than the atomic impact one, the electron density of the plasma is considered as low to estimate the populationmore » and depopulation processes. Some remarkable characteristics of population and depopulation mechanisms are found for the low electron density atmospheric plasma, where thermal relaxation by atomic collisions becomes the predominant process within the group of close-energy states in the ionizing plasma of atmospheric pressure, and the excitation temperature is almost the same as the gas temperature. In addition to the collisional relaxation by argon atoms, electron impact excitation from the ground state is also an essential population mechanism. The ratios of population density of the levels pairs, between which exists a large energy gap, include information on the electron collisional kinetics. For high electron density, the effect of atomic collisional relaxation becomes weak. For this case, the excitation mechanism is explained as electron impact ladderlike excitation similar to low-pressure ionizing plasma, since the electron collision becomes the dominant process for the population and depopulation kinetics.« less

PHD TUTORIAL: A complete numerical approach to electron hydrogen collisions

NASA Astrophysics Data System (ADS)

Bartlett, Philip L.

2006-11-01

This tutorial presents an extensive computational study of electron-impact scattering and ionization of atomic hydrogen and hydrogenic ions, through the solution of the non-relativistic Schrödinger equation in coordinate space using propagating exterior complex scaling (PECS). It details the complete numerical and computational development of the PECS method, which enables highly computationally-efficient solution of these collision systems. Benchmark results are presented for a complete range of electron-hydrogen collisions, including discrete elastic and inelastic scattering both below and above the ionization threshold energy, very low-energy ionizing collisions through to moderately high-energy ionizing collisions, ground-state and excited-state targets and charged hydrogenic targets with Z <= 4. Total ionization cross sections through to fully differential cross sections, both in-plane and out-of-plane, are given and are found to be in excellent accord with other state-of-the-art methods and measurements, where available. We also review our recent confirmation (Bartlett and Stelbovics 2004 Phys. Rev. Lett. 93 233201) of the Wannier and related threshold laws for e-H collisions.

Modeling nitrogen plasmas produced by intense electron beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Angus, J. R.; Swanekamp, S. B.; Schumer, J. W.

2016-05-15

A new gas–chemistry model is presented to treat the breakdown of a nitrogen gas with pressures on the order of 1 Torr from intense electron beams with current densities on the order of 10 kA/cm{sup 2} and pulse durations on the order of 100 ns. For these parameter regimes, the gas transitions from a weakly ionized molecular state to a strongly ionized atomic state on the time scale of the beam pulse. The model is coupled to a 0D–circuit model using the rigid–beam approximation that can be driven by specifying the time and spatial profiles of the beam pulse. Simulation results are inmore » good agreement with experimental measurements of the line–integrated electron density from experiments done using the Gamble II generator at the Naval Research Laboratory. It is found that the species are mostly in the ground and metastable states during the atomic phase, but that ionization proceeds predominantly through thermal ionization of optically allowed states with excitation energies close to the ionization limit.« less

Measurement of plasma decay processes in mixture of sodium and argon by coherent microwave scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang Zhili; Shneider, Mikhail N.

2010-03-15

This paper presents the experimental measurement and computational model of sodium plasma decay processes in mixture of sodium and argon by using radar resonance-enhanced multiphoton ionization (REMPI), coherent microwave Rayleigh scattering of REMPI. A single laser beam resonantly ionizes the sodium atoms by means of 2+1 REMPI process. The laser beam can only generate the ionization of the sodium atoms and have negligible ionization of argon. Coherent microwave scattering in situ measures the total electron number in the laser-induced plasma. Since the sodium ions decay by recombination with electrons, microwave scattering directly measures the plasma decay processes of the sodiummore » ions. A theoretical plasma dynamic model, including REMPI of the sodium and electron avalanche ionization (EAI) of sodium and argon in the gas mixture, has been developed. It confirms that the EAI of argon is several orders of magnitude lower than the REMPI of sodium. The theoretical prediction made for the plasma decay process of sodium plasma in the mixture matches the experimental measurement.« less

Theory of electron-impact ionization of atoms

NASA Astrophysics Data System (ADS)

Kadyrov, A. S.; Mukhamedzhanov, A. M.; Stelbovics, A. T.; Bray, I.

2004-12-01

The existing formulations of electron-impact ionization of a hydrogenic target suffer from a number of formal problems including an ambiguous and phase-divergent definition of the ionization amplitude. An alternative formulation of the theory is given. An integral representation for the ionization amplitude which is free of ambiguity and divergence problems is derived and is shown to have four alternative, but equivalent, forms well suited for practical calculations. The extension to amplitudes of all possible scattering processes taking place in an arbitrary three-body system follows. A well-defined conventional post form of the breakup amplitude valid for arbitrary potentials including the long-range Coulomb interaction is given. Practical approaches are based on partial-wave expansions, so the formulation is also recast in terms of partial waves and partial-wave expansions of the asymptotic wave functions are presented. In particular, expansions of the asymptotic forms of the total scattering wave function, developed from both the initial and the final state, for electron-impact ionization of hydrogen are given. Finally, the utility of the present formulation is demonstrated on some well-known model problems.

Non-equilibrium ionization by a periodic electron beam. I. Synthetic coronal spectra and implications for interpretation of observations

NASA Astrophysics Data System (ADS)

Dzifčáková, E.; Dudík, J.; Mackovjak, Š.

2016-05-01

Context. Coronal heating is currently thought to proceed via the mechanism of nanoflares, small-scale and possibly recurring heating events that release magnetic energy. Aims: We investigate the effects of a periodic high-energy electron beam on the synthetic spectra of coronal Fe ions. Methods: Initially, the coronal plasma is assumed to be Maxwellian with a temperature of 1 MK. The high-energy beam, described by a κ-distribution, is then switched on every period P for the duration of P/ 2. The periods are on the order of several tens of seconds, similar to exposure times or cadences of space-borne spectrometers. Ionization, recombination, and excitation rates for the respective distributions are used to calculate the resulting non-equilibrium ionization state of Fe and the instantaneous and period-averaged synthetic spectra. Results: Under the presence of the periodic electron beam, the plasma is out of ionization equilibrium at all times. The resulting spectra averaged over one period are almost always multithermal if interpreted in terms of ionization equilibrium for either a Maxwellian or a κ-distribution. Exceptions occur, however; the EM-loci curves appear to have a nearly isothermal crossing-point for some values of κs. The instantaneous spectra show fast changes in intensities of some lines, especially those formed outside of the peak of the respective EM(T) distributions if the ionization equilibrium is assumed. Movies 1-5 are available in electronic form at http://www.aanda.org

Photoexcitation and ionization in carbon dioxide - Theoretical studies in the separated-channel static-exchange approximation

NASA Technical Reports Server (NTRS)

Padial, N.; Csanak, G.; Mckoy, B. V.; Langhoff, P. W.

1981-01-01

Vertical-electronic static-exchange photoexcitation and ionization cross sections are reported which provide a first approximation to the complete dipole spectrum of CO2. Separated-channel static-exchange calculations of vertical-electronic transition energies and oscillator strengths, and Stieltjes-Chebyshev moment methods were used in the development. Detailed comparisons were made of the static-exchange excitation and ionization spectra with photoabsorption, electron-impact excitation, and quantum-defect estimates of discrete transition energies and intensities, and with partial-channel photoionization cross sections obtained from fluorescence measurements and from tunable-source and (e, 2e) photoelectron spectroscopy. Results show that the separate-channel static-exchange approximation is generally satisfactory in CO2.

Theoretical determination of one-electron redox potentials for DNA bases, base pairs, and stacks.

PubMed

Paukku, Y; Hill, G

2011-05-12

Electron affinities, ionization potentials, and redox potentials for DNA bases, base pairs, and N-methylated derivatives are computed at the DFT/M06-2X/6-31++G(d,p) level of theory. Redox properties of a guanine-guanine stack model are explored as well. Reduction and oxidation potentials are in good agreement with the experimental ones. Electron affinities of base pairs were found to be negative. Methylation of canonical bases affects the ionization potentials the most. Base pair formation and base stacking lower ionization potentials by 0.3 eV. Pairing of guanine with the 5-methylcytosine does not seem to influence the redox properties of this base pair much.

Penning ionization electron spectroscopy of CO 2 clusters in collision with metastable rare gas atoms

NASA Astrophysics Data System (ADS)

Maruyama, Ryo; Tanaka, Hideyasu; Yamakita, Yoshihiro; Misaizu, Fuminori; Ohno, Koichi

2000-09-01

Penning ionization electron spectra (PIES) of CO 2 clusters have been observed for the first time. An unusually fast electron band with excess kinetic energies of 1.4-2.9 eV with respect to the monomer band for the ionic X state was observed for CO 2 clusters in collision with He*(2 3S) atoms. While for PIES with Ne*(3 3P), no such unusual band was observed. The unusual band is ascribed to autoionization into stable structures of ionic clusters to which direct ionization processes are almost impossible due to very small Franck-Condon overlaps associated with a very large geometry difference between the ionic and neutral clusters.

Generation of attosecond electron beams in relativistic ionization by short laser pulses

NASA Astrophysics Data System (ADS)

Cajiao Vélez, F.; Kamiński, J. Z.; Krajewska, K.

2018-03-01

Ionization by relativistically intense short laser pulses is studied in the framework of strong-field quantum electrodynamics. Distinctive patterns are found in the energy probability distributions of photoelectrons, which are sensitive to the properties of a driving laser field. It is demonstrated that these electrons are generated in the form of solitary attosecond wave packets. This is particularly important in light of various applications of attosecond electron beams such as in ultrafast electron diffraction and crystallography, or in time-resolved electron microscopy of physical, chemical, and biological processes. We also show that, for intense laser pulses, high-energy ionization takes place in narrow regions surrounding the momentum spiral, the exact form of which is determined by the shape of a driving pulse. The self-intersections of the spiral define the momenta for which the interference patterns in the energy distributions of photoelectrons are observed. Furthermore, these interference regions lead to the synthesis of single-electron wave packets characterized by coherent double-hump structures.

Direct evidence of two interatomic relaxation mechanisms in argon dimers ionized by electron impact

PubMed Central

Ren, Xueguang; Jabbour Al Maalouf, Elias; Dorn, Alexander; Denifl, Stephan

2016-01-01

In weakly bound systems like liquids and clusters electronically excited states can relax in inter-particle reactions via the interplay of electronic and nuclear dynamics. Here we report on the identification of two prominent examples, interatomic Coulombic decay (ICD) and radiative charge transfer (RCT), which are induced in argon dimers by electron collisions. After initial ionization of one dimer constituent ICD and RCT lead to the ionization of its neighbour either by energy transfer to or by electron transfer from the neighbour, respectively. By full quintuple-coincidence measurements, we unambiguously identify ICD and RCT, and trace the relaxation dynamics as function of the collisional excited state energies. Such interatomic processes multiply the number of electrons and shift their energies down to the critical 1–10 eV range, which can efficiently cause chemical degradation of biomolecules. Therefore, the observed relaxation channels might contribute to cause efficient radiation damage in biological systems. PMID:27000407

Laser-driven relativistic electron beam interaction with solid dielectric

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarkisov, G. S.; Ivanov, V. V.; Leblanc, P.

2012-07-30

The multi-frames shadowgraphy, interferometry and polarimetry diagnostics with sub-ps time resolution were used for an investigation of ionization wave dynamics inside a glass target induced by laser-driven relativistic electron beam. Experiments were done using the 50 TW Leopard laser at the UNR. For a laser flux of {approx}2 Multiplication-Sign 10{sup 18}W/cm{sup 2} a hemispherical ionization wave propagates at c/3. The maximum of the electron density inside the glass target is {approx}2 Multiplication-Sign 10{sup 19}cm{sup -3}. Magnetic and electric fields are less than {approx}15 kG and {approx}1 MV/cm, respectively. The electron temperature has a maximum of {approx}0.5 eV. 2D interference phasemore » shift shows the 'fountain effect' of electron beam. The very low ionization inside glass target {approx}0.1% suggests a fast recombination at the sub-ps time scale. 2D PIC-simulations demonstrate radial spreading of fast electrons by self-consistent electrostatic fields.« less

Electron- and positron-impact ionization of inert gases

NASA Astrophysics Data System (ADS)

Campeanu, R. I.; Walters, H. R. J.; Whelan, Colm T.

2018-06-01

Triple-differential cross sections (TDCS) are presented for the electron and positron impact ionization of inert gas atoms in a range of geometries where a number of significant few body effects compete to define the shape of the TDCS. Using both positrons and electrons as projectiles has opened up the possibility of performing complementary studies which could effectively isolate competing interactions which cannot be separately detected in an experiment with a single projectile. A comparison is presented between theory and the recent experiments of [Gavin, deLucio, and DuBois, Phys. Rev. A 95, 062703 (2017), 10.1103/PhysRevA.95.062703] for e± and contrasted with the results from earlier electron experiments. For the special case of xenon(5 p ), cross sections are presented for both electron- and positron-impact ionization in kinematics where the electron case appears well understood. The kinematics are then varied in order to focus on the possible role of distortion, exchange, and target wave-function effects.

Multi-photon ionization of atoms in intense short-wavelength radiation fields

NASA Astrophysics Data System (ADS)

Meyer, Michael

2015-05-01

The unprecedented characteristics of XUV and X-ray Free Electron Lasers (FELs) have stimulated numerous investigations focusing on the detailed understanding of fundamental photon-matter interactions in atoms and molecules. In particular, the high intensities (up to 106 W/cm2) giving rise to non-linear phenomena in the short wavelength regime. The basic phenomenology involves the production of highly charged ions via electron emission to which both sequential and direct multi-photon absorption processes contribute. The detailed investigation of the role and relative weight of these processes under different conditions (wavelength, pulse duration, intensity) is the key element for a comprehensive understanding of the ionization dynamics. Here the results of recent investigations are presented, performed at the FELs in Hamburg (FLASH) and Trieste (FERMI) on atomic systems with electronic structures of increasing complexity (Ar, Ne and Xe). Mainly, electron spectroscopy is used to obtain quantitative information about the relevance of various multi-photon ionization processes. For the case of Ar, a variety of processes including above threshold ionization (ATI) from 3p and 3s valence shells, direct 2p two-photon ionization and resonant 2p-4p two-photon excitations were observed and their role was quantitatively determined comparing the experimental ionization yields to ab-initio calculations of the cross sections for the multi-photon processes. Using Ar as a benchmark to prove the reliability of the combined experimental and theoretical approach, the more complex and intriguing case of Xe was studied. Especially, the analysis of the two-photon ATI from the Xe 4d shell reveals new insight into the character of the 4d giant resonance, which was unresolved in the linear one-photon regime. Finally, the influence of intense XUV radiation to the relaxation dynamics of the Ne 2s-3p resonance was investigated by angle-resolved electron spectroscopy, especially be observing the intensity dependent variation of the angular distribution patterns for the sequential ionization process.

Oxygen Pickup Ions Measured by MAVEN Outside the Martian Bow Shock

NASA Astrophysics Data System (ADS)

Rahmati, A.; Cravens, T.; Larson, D. E.; Lillis, R. J.; Dunn, P.; Halekas, J. S.; Connerney, J. E. P.; Eparvier, F. G.; Thiemann, E.; Mitchell, D. L.; Jakosky, B. M.

2015-12-01

The MAVEN (Mars Atmosphere and Volatile EvolutioN) spacecraft entered orbit around Mars on September 21, 2014 and has since been detecting energetic oxygen pickup ions by its SEP (Solar Energetic Particles) and SWIA (Solar Wind Ion Analyzer) instruments. The oxygen pickup ions detected outside the Martian bowshock and in the upstream solar wind are associated with the extended hot oxygen exosphere of Mars, which is created mainly by the dissociative recombination of molecular oxygen ions with electrons in the ionosphere. We use analytic solutions to the equations of motion of pickup ions moving in the undisturbed upstream solar wind magnetic and motional electric fields and calculate the flux of oxygen pickup ions at the location of MAVEN. Our model calculates the ionization rate of oxygen atoms in the exosphere based on the hot oxygen densities predicted by Rahmati et al. (2014), and the sources of ionization include photo-ionization, charge exchange, and electron impact ionization. The photo-ionization frequency is calculated using the FISM (Flare Irradiance Spectral Model) solar flux model, based on MAVEN EUVM (Extreme Ultra-Violet Monitor) measurements. The frequency of charge exchange between a solar wind proton and an oxygen atom is calculated using MAVEN SWIA solar wind proton flux measurements, and the electron impact ionization frequency is calculated based on MAVEN SWEA (Solar Wind Electron Analyzer) solar wind electron flux measurements. The solar wind magnetic field used in the model is from the measurements taken by MAVEN MAG (magnetometer) in the upstream solar wind. The good agreement between our predicted pickup oxygen fluxes and the MAVEN SEP and SWIA measured ones confirms detection of oxygen pickup ions and these model-data comparisons can be used to constrain models of hot oxygen densities and photochemical escape flux.

Molecular orbital imaging via above-threshold ionization with circularly polarized pulses.

PubMed

Zhu, Xiaosong; Zhang, Qingbin; Hong, Weiyi; Lu, Peixiang; Xu, Zhizhan

2011-07-18

Above-threshold ionization (ATI) for aligned or orientated linear molecules by circularly polarized laser pulsed is investigated. It is found that the all-round structural information of the molecular orbital is extracted with only one shot by the circularly polarized probe pulse rather than with multi-shot detections in a linearly polarized case. The obtained photoelectron momentum spectrum directly depicts the symmetry and electron distribution of the occupied molecular orbital, which results from the strong sensitivity of the ionization probability to these structural features. Our investigation indicates that the circularly polarized probe scheme would present a simple method to study the angle-dependent ionization and image the occupied electronic orbital.

Survey of radiation belt energetic electron pitch angle distributions based on the Van Allen Probes MagEIS measurements: Electron Pitch Angle Distributions

DOE PAGES

Shi, Run; Summers, Danny; Ni, Binbin; ...

2016-12-30

A statistical survey of electron pitch angle distributions (PADs) is performed based on the pitch angle-resolved flux observations from the Magnetic Electron Ion Spectrometer (MagEIS) instrument on board the Van Allen Probes during the period from 1 October 2012 to 1 May 2015. By fitting the measured PADs to a sin nα form, where α is the local pitch angle and n is the power law index, we investigate the dependence of PADs on electron kinetic energy, magnetic local time (MLT), the geomagnetic Kp index, and L shell. The difference in electron PADs between the inner and outer belt ismore » distinct. In the outer belt, the common averaged n values are less than 1.5, except for large values of the Kp index and high electron energies. The averaged n values vary considerably with MLT, with a peak in the afternoon sector and an increase with increasing L shell. In the inner belt, the averaged n values are much larger, with a common value greater than 2. The PADs show a slight dependence on MLT, with a weak maximum at noon. A distinct region with steep PADs lies in the outer edge of the inner belt where the electron flux is relatively low. The distance between the inner and outer belt and the intensity of the geomagnetic activity together determine the variation of PADs in the inner belt. Finally, besides being dependent on electron energy, magnetic activity, and L shell, the results show a clear dependence on MLT, with higher n values on the dayside.« less

Survey of radiation belt energetic electron pitch angle distributions based on the Van Allen Probes MagEIS measurements: Electron Pitch Angle Distributions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi, Run; Summers, Danny; Ni, Binbin

A statistical survey of electron pitch angle distributions (PADs) is performed based on the pitch angle-resolved flux observations from the Magnetic Electron Ion Spectrometer (MagEIS) instrument on board the Van Allen Probes during the period from 1 October 2012 to 1 May 2015. By fitting the measured PADs to a sin nα form, where α is the local pitch angle and n is the power law index, we investigate the dependence of PADs on electron kinetic energy, magnetic local time (MLT), the geomagnetic Kp index, and L shell. The difference in electron PADs between the inner and outer belt ismore » distinct. In the outer belt, the common averaged n values are less than 1.5, except for large values of the Kp index and high electron energies. The averaged n values vary considerably with MLT, with a peak in the afternoon sector and an increase with increasing L shell. In the inner belt, the averaged n values are much larger, with a common value greater than 2. The PADs show a slight dependence on MLT, with a weak maximum at noon. A distinct region with steep PADs lies in the outer edge of the inner belt where the electron flux is relatively low. The distance between the inner and outer belt and the intensity of the geomagnetic activity together determine the variation of PADs in the inner belt. Finally, besides being dependent on electron energy, magnetic activity, and L shell, the results show a clear dependence on MLT, with higher n values on the dayside.« less

Role of ionization and electron drift velocity profile to Rayleigh instability in a Hall thruster plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Sukhmander; Malik, Hitendra K.

Role of ionization to Rayleigh instability is clarified in a Hall thruster plasma under the variety of profiles of electron drift velocity, namely, step-like profile (SLP) and two different super-Gaussian profiles (SGP1 and SGP2). For this, a relevant Rayleigh equation is derived and solved numerically using fourth-order Runge-Kutta method. Interestingly, an upper cutoff frequency of oscillations {omega}{sub max} is realized for the occurrence of the instability that shows dependence on the ionization rate {alpha}, electron drift velocity u{sub 0}, electron cyclotron frequency {Omega}, azimuthal wave number k{sub y}, plasma density n{sub 0}, density gradient {partial_derivative}n{sub 0}/{partial_derivative}x, ion (electron) thermal speedmore » V{sub thI}(V{sub thE}), and ion (electron) plasma frequency {omega}{sub pi}({omega}{sub pe}). The frequency {omega}{sub max} follows the trend {omega}{sub max} (for SGP2) >{omega}{sub max} (for SLP) >{omega}{sub max} (for SGP1) and shows a similar behaviour with ionization for all types of the velocity profiles. The instability is found to grow faster for the higher {alpha} and the ion temperature but it acquires lower rate under the effect of the higher electron temperature; the perturbed potential also varies in accordance with the growth rate. The electron temperature influences the growth rate and cutoff frequency less significantly in comparison with the ion temperature.« less

Electron impact excitation coefficients for laboratory and astrophysical plasmas

NASA Technical Reports Server (NTRS)

Davis, J.; Kepple, P. C.; Blaha, M.

1976-01-01

Electron impact excitation rate coefficients have been obtained for a number of transitions in highly ionized ions of interest to astrophysical and laboratory plasmas. The calculations were done using the method of distorted waves. Results are presented for various transitions in highly ionized Ne, Na, Al, Si, A, Ca, Ni and Fe.

Recent Total Ionizing Dose Results and Displacement Damage Results for Candidate Spacecraft Electronics for NASA

NASA Technical Reports Server (NTRS)

Cochran, Donna J.; Buchner, Stephen P.; Irwin, Tim L.; LaBel, Kenneth A.; Marshall, Cheryl J.; Reed, Robert A.; Sanders, Anthony B.; Hawkins, Donald K.; Flanigan, Ryan J.; Cox, Stephen R.

2005-01-01

We present data on the vulnerability of a variety of candidate spacecraft electronics to total ionizing dose and displacement damage. Devices tested include optoelectronics, digital, analog, linear bipolar devices, hybrid devices, Analog-to- Digital Converters (ADCs), and Digital-to-Analog Converters (DACs), among others. T