Measurement of inelastic cross sections for low-energy electron scattering from DNA bases

PubMed Central

Michaud, Marc; Bazin, Marc.; Sanche, Léon

2013-01-01

Purpose Determine experimentally the absolute cross sections (CS) to deposit various amount of energies into DNA bases by low-energy electron (LEE) impact. Materials and methods Electron energy loss (EEL) spectra of DNA bases are recorded for different LEE impact energies on the molecules deposited at very low coverage on an inert argon (Ar) substrate. Following their normalisation to the effective incident electron current and molecular surface number density, the EEL spectra are then fitted with multiple Gaussian functions in order to delimit the various excitation energy regions. The CS to excite a molecule into its various excitation modes are finally obtained from computing the area under the corresponding Gaussians. Results The EEL spectra and absolute CS for the electronic excitations of pyrimidine and the DNA bases thymine, adenine, and cytosine by electron impacts below 18 eV are reported for the molecules deposited at about monolayer coverage on a solid Ar substrate. Conclusions The CS for electronic excitations of DNA bases by LEE impact are found to lie within the 10−16 – 10−18 cm2 range. The large value of the total ionisation CS indicates that ionisation of DNA bases by LEE is an important dissipative process via which ionising radiation degrades and is absorbed in DNA. PMID:21615242

Ionisation in turbulent magnetic molecular clouds. I. Effect on density and mass-to-flux ratio structures

NASA Astrophysics Data System (ADS)

Bailey, Nicole D.; Basu, Shantanu; Caselli, Paola

2017-05-01

Context. Previous studies show that the physical structures and kinematics of a region depend significantly on the ionisation fraction. These studies have only considered these effects in non-ideal magnetohydrodynamic simulations with microturbulence. The next logical step is to explore the effects of turbulence on ionised magnetic molecular clouds and then compare model predictions with observations to assess the importance of turbulence in the dynamical evolution of molecular clouds. Aims: In this paper, we extend our previous studies of the effect of ionisation fractions on star formation to clouds that include both non-ideal magnetohydrodynamics and turbulence. We aim to quantify the importance of a treatment of the ionisation fraction in turbulent magnetised media and investigate the effect of the turbulence on shaping the clouds and filaments before star formation sets in. In particular, here we investigate how the structure, mass and width of filamentary structures depend on the amount of turbulence in ionised media and the initial mass-to-flux ratio. Methods: To determine the effects of turbulence and mass-to-flux ratio on the evolution of non-ideal magnetised clouds with varying ionisation profiles, we have run two sets of simulations. The first set assumes different initial turbulent Mach values for a fixed initial mass-to-flux ratio. The second set assumes different initial mass-to-flux ratio values for a fixed initial turbulent Mach number. Both sets explore the effect of using one of two ionisation profiles: step-like (SL) or cosmic ray only (CR-only). We compare the resulting density and mass-to-flux ratio structures both qualitatively and quantitatively via filament and core masses and filament fitting techniques (Gaussian and Plummer profiles). Results: We find that even with almost no turbulence, filamentary structure still exists although at lower density contours. Comparison of simulations shows that for turbulent Mach numbers above 2, there is little structural difference between the SL and CR-only models, while below this threshold the ionisation structure significantly affects the formation of filaments. This holds true for both sets of models. Analysis of the mass within cores and filaments shows that the mass decreases as the degree of turbulence increases. Finally, observed filaments within the Taurus L1495/B213 complex are best reproduced by models with supercritical mass-to-flux ratios and/or at least mildly supersonic turbulence, however, our models show that the sterile fibres observed within Taurus may occur in highly ionised, subcritical environments. Conclusions: From the analysis of the simulations, we conclude that in the presence of low turbulent velocities, the ionisation structure of the medium still plays a role in shaping the structure of the cloud, however, above Mach 2, the differences between the two profiles become indistinguishable. However, differences may be present in the underlying velocity structure. Kinematics studies will be the focus of the next paper in this series. Regions with fertile fibres likely indicate a trans- or supercritical mass-to-flux ratio within the region while sterile fibres are likely subcritical and transient.

Correlation of the ionisation response at selected points of IC sensitive regions with SEE sensitivity parameters under pulsed laser irradiation

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

Gordienko, A V; Mavritskii, O B; Egorov, A N

2014-12-31

The statistics of the ionisation response amplitude measured at selected points and their surroundings within sensitive regions of integrated circuits (ICs) under focused femtosecond laser irradiation is obtained for samples chosen from large batches of two types of ICs. A correlation between these data and the results of full-chip scanning is found for each type. The criteria for express validation of IC single-event effect (SEE) hardness based on ionisation response measurements at selected points are discussed. (laser applications and other topics in quantum electronics)

Characterisation of semi-insulating GaAs

NASA Technical Reports Server (NTRS)

Walukiewicz, W.; Pawlowicz, L.; Lagowski, J.; Gatos, H. C.

1982-01-01

Hole and electron mobilities as functions of temperature and ionised impurity concentration are calculated for GaAs. It is shown that these calculations, when used to analyse electrical properties of semi-insulating GaAs, enable an assessment of the Fermi energy position and ionised impurity concentration to be made. In contrast to previous work, the analysis does not require any phenomenological assumptions.

Nanodosimetry of electrons: analysis by experiment and modelling.

PubMed

Bantsar, A; Pszona, S

2015-09-01

Nanodosimetry experiments for high-energy electrons from a (131)I radioactive source interacting with gaseous nitrogen with sizes on a scale equivalent to the mass per area of a segment of DNA and nucleosome are described. The discrete ionisation cluster-size distributions were measured in experiments carried out with the Jet Counter. The experimental results were compared with those obtained by Monte Carlo modelling. The descriptors of radiation damages have been derived from the data obtained from ionisation cluster-size distributions. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Thermally annealed gold nanoparticles for surface-assisted laser desorption ionisation-mass spectrometry of low molecular weight analytes.

PubMed

Pilolli, Rosa; Ditaranto, Nicoletta; Di Franco, Cinzia; Palmisano, Francesco; Cioffi, Nicola

2012-10-01

Metal nanomaterials have an emerging role in surface-assisted laser desorption ionisation-mass spectrometry (SALDI-MS) providing a useful tool to overcome some limitations intrinsically related to the use of conventional organic matrices in matrix-assisted LDI-MS. In this contribution, the possibility to use a stainless-steel-supported gold nanoparticle (AuNP) film as a versatile platform for SALDI-MS was assessed. A sacrificial anode electrosynthetic route was chosen in order to obtain morphologically controlled core-shell AuNPs; the colloidal AuNPs were, thereafter, drop cast onto a stainless-steel sample plate and the resulting AuNP film was thermally annealed in order to improve its effectiveness as LDI-MS promoter. Spectroscopic characterization of the nanostructured film by X-ray photoelectron spectroscopy was crucial for understanding how annealing induced changes in the surface chemistry and influenced the performance of AuNPs as desorption/ionisation promoter. In particular, it was demonstrated that the post-deposition treatments were essential to enhance the AuNP core/analyte interaction, thus resulting in SALDI-MS spectra of significantly improved quality. The AuNP films were applied to the detection of three different classes of low molecular weight (LMW) analytes, i.e. amino acids, peptides and LMW polymers, in order to demonstrate the versatility of this nanostructured material.

Low energy electron-impact study of AlO using the R-matrix method

NASA Astrophysics Data System (ADS)

Kaur, Savinder; Baluja, Kasturi L.; Bassi, Monika

2017-11-01

This comprehensive study reports the electron-impact on the open shell AlO molecule at low energy (less than 10 eV) using the R-matrix method. We present the elastic (integrated and differential), momentum-transfer, electronic excitation and ionisation cross sections; along with effective collision frequency over a wide electron temperature range (1000-100 000 K). Correlations via a configuration interaction technique are used to represent the target states. Calculations are performed in the static-exchange and 24-target states close-coupling approximation at the experimental bond length of 1.6178 Å. We have used different basis sets 6-311G*, double zeta, polarization (DZP), cc-pCVTZ to represent our target states. We have chosen the Gaussian Type Orbitals (GTOs) basis set DZP to represent the atomic orbitals which gave the best one-electron properties of the molecule. The calculated dipole moment (1.713 au), rotational constant (0.641399 cm-1) and the vertical excitation energies are in concurrence with the best available data. The continuum electron is also represented by GTOs and is placed at the center of mass of the molecule. Resonance analysis is carried out to assign the resonance parameters and the parentage of detected resonances by fitting the eigenphase sums to the Breit-Wigner profile. Our study has detected three core-excited shape resonances in the 24-state model. We detect a stable bound state of AlO- of 1 A 1 symmetry having configuration 1 σ 2 … 7 σ 21 π 42 π 4 with a vertical electronic affinity value of 2.59 eV which is in good accord with the experimental value of 2.6 ± (0.01) eV. The ionisation cross sections are calculated using the Binary-Encounter-Bethe Model in which Hartree-Fock molecular orbitals at self-consistent level are used to calculate kinetic and binding energies of the occupied molecular orbitals. We include partial waves up to g-wave beyond which Born closure method is employed to obtain converged cross sections.

Ullage Tank Fuel-Air Mixture Characterisation

DTIC Science & Technology

2011-12-01

247-252 Woodrow, J.E., Seiber, J.N., 1988, ‘Vapor-pressure measurement of complex mixtures by headspace gas chromatography ’, Journal of...Electron Ionisation FAR Fuel to Air Mass Ratio FID Flame Ionisation Detector GC Gas Chromatography HS Headspace MS Mass Spectrometry NIST...Determination of volatile substances in biological headspace gas chromatography ’, Journal of Chromatography A, vol. 674, pp. 25-62 Shepherd, J.E, Krok, J.C

EUV-driven ionospheres and electron transport on extrasolar giant planets orbiting active stars

NASA Astrophysics Data System (ADS)

Chadney, J. M.; Galand, M.; Koskinen, T. T.; Miller, S.; Sanz-Forcada, J.; Unruh, Y. C.; Yelle, R. V.

2016-03-01

The composition and structure of the upper atmospheres of extrasolar giant planets (EGPs) are affected by the high-energy spectrum of their host stars from soft X-rays to the extreme ultraviolet (EUV). This emission depends on the activity level of the star, which is primarily determined by its age. In this study, we focus upon EGPs orbiting K- and M-dwarf stars of different ages - ɛ Eridani, AD Leonis, AU Microscopii - and the Sun. X-ray and EUV (XUV) spectra for these stars are constructed using a coronal model. These spectra are used to drive both a thermospheric model and an ionospheric model, providing densities of neutral and ion species. Ionisation - as a result of stellar radiation deposition - is included through photo-ionisation and electron-impact processes. The former is calculated by solving the Lambert-Beer law, while the latter is calculated from a supra-thermal electron transport model. We find that EGP ionospheres at all orbital distances considered (0.1-1 AU) and around all stars selected are dominated by the long-lived H+ ion. In addition, planets with upper atmospheres where H2 is not substantially dissociated (at large orbital distances) have a layer in which H3+ is the major ion at the base of the ionosphere. For fast-rotating planets, densities of short-lived H3+ undergo significant diurnal variations, with the maximum value being driven by the stellar X-ray flux. In contrast, densities of longer-lived H+ show very little day/night variability and the magnitude is driven by the level of stellar EUV flux. The H3+ peak in EGPs with upper atmospheres where H2 is dissociated (orbiting close to their star) under strong stellar illumination is pushed to altitudes below the homopause, where this ion is likely to be destroyed through reactions with heavy species (e.g. hydrocarbons, water). The inclusion of secondary ionisation processes produces significantly enhanced ion and electron densities at altitudes below the main EUV ionisation peak, as compared to models that do not include electron-impact ionisation. We estimate infrared emissions from H3+, and while, in an H/H2/He atmosphere, these are larger from planets orbiting close to more active stars, they still appear too low to be detected with current observatories.

Radiation Effects on LWS Detectors and Deglitching of LWS Data

NASA Astrophysics Data System (ADS)

Burgdorf, M.; Harwood, A.; Sidher, S. D.

Glitches are caused by the effects of ionising particles (either a primary cosmic ray, interplanetary or belt electron, or a secondary generated in the spacecraft structure) on the detectors. There was roughly one glitch per ten seconds per detector during the normal period of LWS operation. These energetic particles cause a sudden jump in the ramp voltage, due to a quantity of charge being dumped on the integrating amplifier. They also cause a change in the detector responsivity which affects the following ramps. Glitches were detected in the automatic pipeline processing for each observation with the LWS that was performed with a standard Astronomical Observation Template. We describe the method with which this deglitching was carried out. Based on the findings from the deglitching algorithms we compare proton and electron fluences with average glitch rates and look for correlations. >From the glitch statistics one can also derive the energy distribution of the ionising radiation that hit the detectors. This energy spectrum agrees roughly with model predictions and therefore shows that it is in principle possible to predict the properties of the ionising radiation to which the detectors of future missions will be exposed. This is important, because for the LWS we found that the effect of an ionising radiation hit on the detectors was rather different, and more severe, than had been predicted before launch: An ionising particle could cause the detector to become unstable and spike spontaneously for some seconds following a hit, resulting in a strongly increased noise and requiring a re-adjustment of the bias levels.

Production of extended plasma channels in atmospheric air by amplitude-modulated UV radiation of GARPUN-MTW Ti : sapphire—KrF laser. Part 2. Accumulation of plasma electrons and electric discharge control

NASA Astrophysics Data System (ADS)

Zvorykin, V. D.; Ionin, Andrei A.; Levchenko, A. O.; Mesyats, Gennadii A.; Seleznev, L. V.; Sinitsyn, D. V.; Smetanin, Igor V.; Sunchugasheva, E. S.; Ustinovskii, N. N.; Shutov, A. V.

2013-04-01

The problem of the production of extended (~1 m) plasma channels is studied in atmospheric air by amplitude-modulated laser pulses of UV radiation, which are a superposition of a subpicosecond USP train amplified in a regenerative KrF amplifier with an unstable confocal resonator and a quasi-stationary lasing pulse. The USPs possess a high (0.2-0.3 TW) peak power and efficiently ionise oxygen molecules due to multiphoton ionisation, and the quasi-stationary lasing pulse, which has a relatively long duration (~100 ns), maintains the electron density at a level ne = (3-5) × 1014 cm—3 by suppressing electron attachment to oxygen. Experiments in laser triggering of high-voltage electric discharges suggest that the use of combined pulses results in a significant lowering of the breakdown threshold and enables controlling the discharge trajectory with a higher efficiency in comparison with smooth pulses. It was shown that controlled breakdowns may develop with a delay of tens of microseconds relative to the laser pulse, which is many orders of magnitude greater than the lifetime of free electrons in the laser-induced plasma. We propose a mechanism for this breakdown, which involves speeding-up of the avalanche ionisation of the air by negative molecular oxygen ions with a low electron binding energy (~0.5 eV) and a long lifetime (~1 ms), which are produced upon cessation of the laser pulse.

Ionisation in ultra-cool, cloud forming extrasolar planetary atmospheres

NASA Astrophysics Data System (ADS)

Helling, Christiane; the LEAP Team

2015-04-01

Transit spectroscopy provides evidence that extrasolare planets are covered in clouds, a finding that has been forecast by cloud model simulations 15 years ago. Atmospheres are strongly affected by clouds through their large opacity and their chemical activity. Cloud formation models allow to predict cloud particle sizes, their chemical composition and the composition of the remaining atmospheric gas (Woitke & Helling 2004, A&A 414; Helling & Woitke 2006, A&A 455), for example, as input for radiative transfer codes like Drift-Phoenix (Witte et al. 2009; A&A 506). These cloud particles are charged and can discharge, for example in form of lighting (Helling et al. 2013, ApJ 767; Bailey et al. 2014, ApJ 784). Earth observations demonstrate that lighting effects not only the local chemistry but also the electron budget of the atmosphere. This talk will present our work on cloud formation modelling and ionisation processes in cloud forming atmospheres. An hierarchy of ionisation processes leads to a vertically inhomogenously ionised atmosphere which has implications for planetary mass loss and global circulation pattern of planetary atmospheres. Processes involved, like Cosmic Ray ionisation, do also activate the local chemistry such that large hydrocarbon molecules form (Rimmer et al. 2014, IJAsB 13).

EDDIX--a database of ionisation double differential cross sections.

PubMed

MacGibbon, J H; Emerson, S; Liamsuwan, T; Nikjoo, H

2011-02-01

The use of Monte Carlo track structure is a choice method in biophysical modelling and calculations. To precisely model 3D and 4D tracks, the cross section for the ionisation by an incoming ion, double differential in the outgoing electron energy and angle, is required. However, the double differential cross section cannot be theoretically modelled over the full range of parameters. To address this issue, a database of all available experimental data has been constructed. Currently, the database of Experimental Double Differential Ionisation Cross sections (EDDIX) contains over 1200 digitalised experimentally measured datasets from the 1960s to present date, covering all available ion species (hydrogen to uranium) and all available target species. Double differential cross sections are also presented with the aid of an eight parameter functions fitted to the cross sections. The parameters include projectile species and charge, target nuclear charge and atomic mass, projectile atomic mass and energy, electron energy and deflection angle. It is planned to freely distribute EDDIX and make it available to the radiation research community for use in the analytical and numerical modelling of track structure.

Study of point- and cluster-defects in radiation-damaged silicon

NASA Astrophysics Data System (ADS)

Donegani, Elena M.; Fretwurst, Eckhart; Garutti, Erika; Klanner, Robert; Lindstroem, Gunnar; Pintilie, Ioana; Radu, Roxana; Schwandt, Joern

2018-08-01

Non-ionising energy loss of radiation produces point defects and defect clusters in silicon, which result in a significant degradation of sensor performance. In this contribution results from TSC (Thermally Stimulated Current) defect spectroscopy for silicon pad diodes irradiated by electrons to fluences of a few 1014 cm-2 and energies between 3.5 and 27 MeV for isochronal annealing between 80 and 280∘C, are presented. A method based on SRH (Shockley-Read-Hall) statistics is introduced, which assumes that the ionisation energy of the defects in a cluster depends on the fraction of occupied traps. The difference of ionisation energy of an isolated point defect and a fully occupied cluster, ΔEa, is extracted from the TSC data. For the VOi (vacancy-oxygen interstitial) defect ΔEa = 0 is found, which confirms that it is a point defect, and validates the method for point defects. For clusters made of deep acceptors the ΔEa values for different defects are determined after annealing at 80∘C as a function of electron energy, and for the irradiation with 15 MeV electrons as a function of annealing temperature. For the irradiation with 3.5 MeV electrons the value ΔEa = 0 is found, whereas for the electron energies of 6-27 MeV ΔEa > 0. This agrees with the expected threshold of about 5 MeV for cluster formation by electrons. The ΔEa values determined as a function of annealing temperature show that the annealing rate is different for different defects. A naive diffusion model is used to estimate the temperature dependencies of the diffusion of the defects in the clusters.

The calibration of plane parallel ionisation chambers for the measurement of absorbed dose in electron beams of low to medium energies. Part 2: The PTW/MARKUS chamber.

PubMed

Cross, P; Freeman, N

1997-06-01

The purpose of Part 2 study of calibration methods for plane parallel ionisation chambers was to determine the feasibility of using beams of calibration of the MARKUS chamber other than the standard AAPM TG39 reference beams of 60Co and a high energy electron beam (E0 > or = 15 MeV). A previous study of the NACP chamber had demonstrated an acceptable level of accuracy with corresponding spread of -0.5% to +0.8% for its calibration in non-standard situations (medium to low energy electron and photon beams). For non-standard situations the spread in NDMARKUS values was found to be +/-2.5%. The results suggest that user calibrations of the MARKUS chamber in non-standard situations are associated with more uncertainties than is the case with the NACP chamber.

Ionisation and discharge in cloud-forming atmospheres of brown dwarfs and extrasolar planets

NASA Astrophysics Data System (ADS)

Helling, Ch; Rimmer, P. B.; Rodriguez-Barrera, I. M.; Wood, Kenneth; Robertson, G. B.; Stark, C. R.

2016-07-01

Brown dwarfs and giant gas extrasolar planets have cold atmospheres with rich chemical compositions from which mineral cloud particles form. Their properties, like particle sizes and material composition, vary with height, and the mineral cloud particles are charged due to triboelectric processes in such dynamic atmospheres. The dynamics of the atmospheric gas is driven by the irradiating host star and/or by the rotation of the objects that changes during its lifetime. Thermal gas ionisation in these ultra-cool but dense atmospheres allows electrostatic interactions and magnetic coupling of a substantial atmosphere volume. Combined with a strong magnetic field \\gg {{B}\\text{Earth}} , a chromosphere and aurorae might form as suggested by radio and x-ray observations of brown dwarfs. Non-equilibrium processes like cosmic ray ionisation and discharge processes in clouds will increase the local pool of free electrons in the gas. Cosmic rays and lighting discharges also alter the composition of the local atmospheric gas such that tracer molecules might be identified. Cosmic rays affect the atmosphere through air showers in a certain volume which was modelled with a 3D Monte Carlo radiative transfer code to be able to visualise their spacial extent. Given a certain degree of thermal ionisation of the atmospheric gas, we suggest that electron attachment to charge mineral cloud particles is too inefficient to cause an electrostatic disruption of the cloud particles. Cloud particles will therefore not be destroyed by Coulomb explosion for the local temperature in the collisional dominated brown dwarf and giant gas planet atmospheres. However, the cloud particles are destroyed electrostatically in regions with strong gas ionisation. The potential size of such cloud holes would, however, be too small and might occur too far inside the cloud to mimic the effect of, e.g. magnetic field induced star spots.

Mysteries of LiF TLD response following high ionisation density irradiation: nanodosimetry and track structure theory, dose response and glow curve shapes.

PubMed

Horowitz, Y; Fuks, E; Datz, H; Oster, L; Livingstone, J; Rosenfeld, A

2011-06-01

Three outstanding effects of ionisation density on the thermoluminescence (TL) mechanisms giving rise to the glow peaks of LiF:Mg,Ti (TLD-100) are currently under investigation: (1) the dependence of the heavy charged particle (HCP) relative efficiency with increasing ionisation density and the effectiveness of its modelling by track structure theory (TST), (2) the behaviour of the TL efficiency, f(D), as a function of photon energy and dose. These studies are intended to promote the development of a firm theoretical basis for the evaluation of relative TL efficiencies to assist in their application in mixed radiation fields. And (3) the shape of composite peak 5 in the glow curve for various HCP types and energies and following high-dose electron irradiation, i.e. the ratio of the intensity of peak 5a to peak 5. Peak 5a is a low-temperature satellite of peak 5 arising from electron-hole capture in a spatially correlated trapping centre/luminescent centre (TC/LC) complex that has been suggested to possess a potential as a solid-state nanodosemeter due to the preferential electron/hole population of the TC/LC at high ionisation density. It is concluded that (1) the predictions of TST are very strongly dependent on the choice of photon energy used in the determination of f(D); (2) modified TST employing calculated values of f(D) at 2 keV is in agreement with 5-MeV alpha particle experimental results for composite peak 5 but underestimates the 1.5-MeV proton relative efficiencies. Both the proton and alpha particle relative TL efficiencies of the high-temperature TL (HTTL) peaks 7 and 8 are underestimated by an order of magnitude suggesting that the HTTL efficiencies are affected by other factors in addition to radial electron dose; (3) the dose-response supralinearity of peaks 7 and 8 change rapidly with photon energy: this behaviour is explained in the framework of the unified interaction model as due to a very strong dependence on photon energy of the relative intensity of localised recombination and (4) the increased width and decrease in T(max) of composite peak 5 as a function of ionisation density is due to the greater relative intensity of peak 5a (a low-temperature component of peak 5 arising from two-energy transfer events, which leads to localised recombination).

Mysteries of LiF TLD response following high ionisation density irradiation: nanodosimetry and track structure theory, dose response and glow curve shapes

PubMed Central

Horowitz, Y.; Fuks, E.; Datz, H.; Oster, L.; Livingstone, J.; Rosenfeld, A.

2011-01-01

Three outstanding effects of ionisation density on the thermoluminescence (TL) mechanisms giving rise to the glow peaks of LiF:Mg,Ti (TLD-100) are currently under investigation: (1) the dependence of the heavy charged particle (HCP) relative efficiency with increasing ionisation density and the effectiveness of its modelling by track structure theory (TST), (2) the behaviour of the TL efficiency, f(D), as a function of photon energy and dose. These studies are intended to promote the development of a firm theoretical basis for the evaluation of relative TL efficiencies to assist in their application in mixed radiation fields. And (3) the shape of composite peak 5 in the glow curve for various HCP types and energies and following high-dose electron irradiation, i.e. the ratio of the intensity of peak 5a to peak 5. Peak 5a is a low-temperature satellite of peak 5 arising from electron-hole capture in a spatially correlated trapping centre/luminescent centre (TC/LC) complex that has been suggested to possess a potential as a solid-state nanodosemeter due to the preferential electron/hole population of the TC/LC at high ionisation density. It is concluded that (1) the predictions of TST are very strongly dependent on the choice of photon energy used in the determination of f(D); (2) modified TST employing calculated values of f(D) at 2 keV is in agreement with 5-MeV alpha particle experimental results for composite peak 5 but underestimates the 1.5-MeV proton relative efficiencies. Both the proton and alpha particle relative TL efficiencies of the high-temperature TL (HTTL) peaks 7 and 8 are underestimated by an order of magnitude suggesting that the HTTL efficiencies are affected by other factors in addition to radial electron dose; (3) the dose–response supralinearity of peaks 7 and 8 change rapidly with photon energy: this behaviour is explained in the framework of the unified interaction model as due to a very strong dependence on photon energy of the relative intensity of localised recombination and (4) the increased width and decrease in Tmax of composite peak 5 as a function of ionisation density is due to the greater relative intensity of peak 5a (a low-temperature component of peak 5 arising from two-energy transfer events, which leads to localised recombination). PMID:21106636

A numerical tool for the calculation of non-equilibrium ionisation states in the solar corona and other astrophysical plasma environments

NASA Astrophysics Data System (ADS)

Bradshaw, S. J.

2009-07-01

Context: The effects of non-equilibrium processes on the ionisation state of strongly emitting elements in the solar corona can be extremely difficult to assess and yet they are critically important. For example, there is much interest in dynamic heating events localised in the solar corona because they are believed to be responsible for its high temperature and yet recent work has shown that the hottest (≥107 K) emission predicted to be associated with these events can be observationally elusive due to the difficulty of creating the highly ionised states from which the expected emission arises. This leads to the possibility of observing instruments missing such heating events entirely. Aims: The equations describing the evolution of the ionisaton state are a very stiff system of coupled, partial differential equations whose solution can be numerically challenging and time-consuming. Without access to specialised codes and significant computational resources it is extremely difficult to avoid the assumption of an equilibrium ionisation state even when it clearly cannot be justified. The aim of the current work is to develop a computational tool to allow straightforward calculation of the time-dependent ionisation state for a wide variety of physical circumstances. Methods: A numerical model comprising the system of time-dependent ionisation equations for a particular element and tabulated values of plasma temperature as a function of time is developed. The tabulated values can be the solutions of an analytical model, the output from a numerical code or a set of observational measurements. An efficient numerical method to solve the ionisation equations is implemented. Results: A suite of tests is designed and run to demonstrate that the code provides reliable and accurate solutions for a number of scenarios including equilibration of the ion population and rapid heating followed by thermal conductive cooling. It is found that the solver can evolve the ionisation state to recover exactly the equilibrium state found by an independent, steady-state solver for all temperatures, resolve the extremely small ionisation/recombination timescales associated with rapid temperature changes at high densities, and provide stable and accurate solutions for both dominant and minor ion population fractions. Rapid heating and cooling of low to moderate density plasma is characterised by significant non-equilibrium ionisation conditions. The effective ionisation temperatures are significantly lower than the electron temperature and the values found are in close agreement with the previous work of others. At the very highest densities included in the present study an assumption of equilibrium ionisation is found to be robust. Conclusions: The computational tool presented here provides a straightforward and reliable way to calculate ionisation states for a wide variety of physical circumstances. The numerical code gives results that are accurate and consistent with previous studies, has relatively undemanding computational requirements and is freely available from the author.

The vapour of imidazolium-based ionic liquids: a mass spectrometry study.

PubMed

Deyko, A; Lovelock, K R J; Licence, P; Jones, R G

2011-10-06

Eight common dialkylimidazolium-based ionic liquids have been successfully evaporated in ultra-high vacuum and their vapours analysed by line of sight mass spectrometry using electron ionisation. The ionic liquids investigated were 1-alkyl-3-methylimidazolium bis[(trifluoromethane)sulfonyl]imide, [C(n)C(1)Im][Tf(2)N] (where n = 2, 4, 6, 8), 1-alkyl-3-methylimidazolium tetrafluoroborate, [C(n)C(1)Im][BF(4)] (where n = 4, 8), 1-butyl-3-methylimidazolium octylsulfate, [C(4)C(1)Im][C(8)OSO(3)] and 1-butyl-3-methylimidazolium tetrachloroferrate, [C(4)C(1)Im][FeCl(4)]. All ionic liquids studied here evaporated as neutral ion pairs; no evidence of decomposition products in the vapour phase were observed. Key fragment cations of the ionised vapour of the ionic liquids are identified. The appearance energies, E(app), of the parent cation were measured and used to estimate the ionisation energies, E(i), for the vapour phase neutral ion pairs. Measured ionisation energies ranged from 10.5 eV to 13.0 eV. Using both the identity and E(app) values, the fragmentation pathways for a number of fragment cations are postulated. It will be shown that the enthalpy of vaporisation, Δ(vap)H, can successfully be measured using more than one fragment cation, although caution is required as many fragment cations can also be formed by ionisation of decomposition products.

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.

Threshold law for positron-atom impact ionisation

NASA Technical Reports Server (NTRS)

Temkin, A.

1982-01-01

The threshold law for ionisation of atoms by positron impact is adduced in analogy with our approach to the electron-atom ionization. It is concluded the Coulomb-dipole region of the potential gives the essential part of the interaction in both cases and leads to the same kind of result: a modulated linear law. An additional process which enters positron ionization is positronium formation in the continuum, but that will not dominate the threshold yield. The result is in sharp contrast to the positron threshold law as recently derived by Klar on the basis of a Wannier-type analysis.

The effect of basis set and exchange-correlation functional on time-dependent density functional theory calculations within the Tamm-Dancoff approximation of the x-ray emission spectroscopy of transition metal complexes.

PubMed

Roper, Ian P E; Besley, Nicholas A

2016-03-21

The simulation of X-ray emission spectra of transition metal complexes with time-dependent density functional theory (TDDFT) is investigated. X-ray emission spectra can be computed within TDDFT in conjunction with the Tamm-Dancoff approximation by using a reference determinant with a vacancy in the relevant core orbital, and these calculations can be performed using the frozen orbital approximation or with the relaxation of the orbitals of the intermediate core-ionised state included. Both standard exchange-correlation functionals and functionals specifically designed for X-ray emission spectroscopy are studied, and it is shown that the computed spectral band profiles are sensitive to the exchange-correlation functional used. The computed intensities of the spectral bands can be rationalised by considering the metal p orbital character of the valence molecular orbitals. To compute X-ray emission spectra with the correct energy scale allowing a direct comparison with experiment requires the relaxation of the core-ionised state to be included and the use of specifically designed functionals with increased amounts of Hartree-Fock exchange in conjunction with high quality basis sets. A range-corrected functional with increased Hartree-Fock exchange in the short range provides transition energies close to experiment and spectral band profiles that have a similar accuracy to those from standard functionals.

An important step forward in continuous spectroscopic imaging of ionising radiations using ASICs

NASA Astrophysics Data System (ADS)

Fessler, P.; Coffin, J.; Eberlé, H.; de Raad Iseli, C.; Hilt, B.; Huss, D.; Krummenacher, F.; Lutz, J. R.; Prévot, G.; Renouprez, A.; Sigward, M. H.; Schwaller, B.; Voltolini, C.

1999-01-01

Characterization results are given for an original ASIC allowing continuous acquisition of ionising radiation images in spectroscopic mode. Ionising radiation imaging in general and spectroscopic imaging in particular must primarily be guided by the attempt to decrease statistical noise, which requires detection systems designed to allow very high counting rates. Any source of dead time must therefore be avoided. Thus, the use of on-line corrections of the inevitable dispersion of characteristics between the large number of electronic channels of the detection system, shall be precluded. Without claiming to achieve ultimate noise levels, the work described is focused on how to prevent good individual acquisition channel noise performance from being totally destroyed by the dispersion between channels without introducing dead times. With this goal, we developed an automatic charge amplifier output voltage offset compensation system which operates regardless of the cause of the offset (detector or electronic). The main performances of the system are the following: the input equivalent noise charge is 190 e rms (input non connected, peaking time 500 ns), the highest gain is 255 mV/fC, the peaking time is adjustable between 200 ns and 2 μs and the power consumption is 10 mW per channel. The agreement between experimental data and theoretical simulation results is excellent.

Laboratory spectroscopy and astronomical significance of the fully-benzenoid PAH triphenylene and its cation

NASA Astrophysics Data System (ADS)

Kofman, V.; Sarre, P. J.; Hibbins, R. E.; ten Kate, I. L.; Linnartz, H.

2017-06-01

Triphenylene (C18H12) is a highly symmetric polycyclic aromatic hydrocarbon (PAH) molecule with a 'fully-benzenoid' electronic structure. This confers a high chemical stability compared with PAHs of similar size. Although numerous infrared and UV-vis experimental spectroscopic and theoretical studies of a wide range PAHs in an astrophysical context have been conducted, triphenylene and its radical cation have received almost no attention. There exists a huge body of spectroscopic evidence for neutral and ionised PAHs in astrophysical sources, obtained principally through detection of infrared emission features that are characteristic of PAHs as a chemical class. However, it has so far not proved possible to identify spectroscopically a single isolated PAH in space, although PAHs including triphenylene have been detected mass spectrometrically in meteorites. In this work we focus on recording laboratory electronic spectra of neutral and ionised triphenylene between 220 and 780 nm, trapped in H2O ice and solid argon at 12 K. The studies are motivated by the potential for spectroscopic astronomical detection of electronic absorption spectra of PAHs in ice mantles on interstellar grains as discussed by Linnartz (2014), and were performed also in a cold Ar matrix to provide guidance as to whether triphenylene (particularly in its singly positively ionised form) could be a viable candidate for any of the unidentified diffuse interstellar absorption bands. Based on the argon-matrix experimental results, comparison is made with previously unpublished astronomical spectra near 400 nm which contain broad interstellar absorption features consistent with the predictions from the laboratory matrix spectra, thus providing motivation for the recording of gas-phase electronic spectra of the internally cold triphenylene cation.

Location and Electronic Nature of Phosphorus in the Si Nanocrystal − SiO2 System

PubMed Central

König, Dirk; Gutsch, Sebastian; Gnaser, Hubert; Wahl, Michael; Kopnarski, Michael; Göttlicher, Jörg; Steininger, Ralph; Zacharias, Margit; Hiller, Daniel

2015-01-01

Up to now, no consensus exists about the electronic nature of phosphorus (P) as donor for SiO2-embedded silicon nanocrystals (SiNCs). Here, we report on hybrid density functional theory (h-DFT) calculations of P in the SiNC/SiO2 system matching our experimental findings. Relevant P configurations within SiNCs, at SiNC surfaces, within the sub-oxide interface shell and in the SiO2 matrix were evaluated. Atom probe tomography (APT) and its statistical evaluation provide detailed spatial P distributions. For the first time, we obtain ionisation states of P atoms in the SiNC/SiO2 system at room temperature using X-ray absorption near edge structure (XANES) spectroscopy, eliminating structural artefacts due to sputtering as occurring in XPS. K energies of P in SiO2 and SiNC/SiO2 superlattices (SLs) were calibrated with non-degenerate P-doped Si wafers. results confirm measured core level energies, connecting and explaining XANES spectra with h-DFT electronic structures. While P can diffuse into SiNCs and predominantly resides on interstitial sites, its ionization probability is extremely low, rendering P unsuitable for introducing electrons into SiNCs embedded in SiO2. Increased sample conductivity and photoluminescence (PL) quenching previously assigned to ionized P donors originate from deep defect levels due to P. PMID:25997696

Test beam results of micro channel plates in 'ionisation mode' for the detection of single charged particle and electromagnetic showers

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

Barnyakov, A.; Barnyakov, M.; Novosibirsk State University, str. Pirogova 2, Novosibirsk,

2015-07-01

IMCP is an R and D project aimed at the exploitation of secondary emission of electrons from the surface of microchannel plates (MCP) for fast timing of showers in high rate environments. The usage of MCPs in 'ionisation' mode has long been proposed and is used extensively in ion time-of-flight mass spectrometers. What has not been investigated in depth is their use to detect the ionizing component of showers. The fast time resolution of MCPs exceeds anything that has been previously used in calorimeters, and, if exploited effectively, could aid in the event reconstruction at high luminosities. Results from testsmore » with electrons with energies up to 150 GeV of MCP devices with different characteristics will be presented, in particular detection efficiency and time resolution. (authors)« less

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.

Single-particle energies and density of states in density functional theory

NASA Astrophysics Data System (ADS)

van Aggelen, H.; Chan, G. K.-L.

2015-07-01

Time-dependent density functional theory (TD-DFT) is commonly used as the foundation to obtain neutral excited states and transition weights in DFT, but does not allow direct access to density of states and single-particle energies, i.e. ionisation energies and electron affinities. Here we show that by extending TD-DFT to a superfluid formulation, which involves operators that break particle-number symmetry, we can obtain the density of states and single-particle energies from the poles of an appropriate superfluid response function. The standard Kohn- Sham eigenvalues emerge as the adiabatic limit of the superfluid response under the assumption that the exchange- correlation functional has no dependence on the superfluid density. The Kohn- Sham eigenvalues can thus be interpreted as approximations to the ionisation energies and electron affinities. Beyond this approximation, the formalism provides an incentive for creating a new class of density functionals specifically targeted at accurate single-particle eigenvalues and bandgaps.

Characteristics of Polarisation in the Ramsauer-Townsend Minima in Strongly Coupled Semiclassic Plasmas

NASA Astrophysics Data System (ADS)

Lee, Myoung-Jae; Jung, Young-Dae

2017-10-01

The influence of quantum shielding on the Ramsauer-Townsend phenomena for the total electron-atom polarisation collision cross-section is investigated in partially ionised strongly coupled semiclassic plasmas. The result shows that the quantum shielding effect changes the position of the Ramsauer energy in partially ionised strongly coupled plasmas. It is also found that the quantum shielding effect enhances the total electron-atom collision cross-section when the collision energy is greater than the Ramsauer energy; however, it suppresses the collision cross-section when the collision energy is smaller than the Ramsauer energy. In addition, it is shown that the plasma screening effect significantly changes the position of the Ramsauer energy and the influence of plasma screening on the magnitude of the collision cross-section is more significant near the Ramsauer energy domain. The variations of the Ramsauer energy and the collision cross-section due to the quantum shielding effect are also discussed.

IV INTERNATIONAL CONFERENCE ON ATOM AND MOLECULAR PULSED LASERS (AMPL'99): Discharge characteristics in a nonchain HF(DF) laser

NASA Astrophysics Data System (ADS)

Apollonov, V. V.; Kazantsev, S. Yu; Saifulin, A. V.; Firsov, K. N.

2000-06-01

It is found that for SF6—hydrocarbon (deuterocarbon) mixtures having a composition typical for nonchain HF(DF) lasers, the electric field strength reduced to the partial pressure of SF6 (pSF6) in the quasistationary phase of a volume self-sustained discharge (E/pSF6)st=92 V m-1 Pa-1 is close to the known critical value (E/p)cr=89 V m-1 Pa-1, which is specified by the condition that the electron-impact ionisation rate of SF6 is equal to the rate of electron attachment to SF6 molecules. This testifies to the decisive role of these two processes and allows the use of the known approximations of the effective ionisation coefficient and the electron drift velocity for pure SF6 when calculating the discharge characteristics. The oscilloscope traces of voltage and current calculated in this approximation for lasers with apertures ranging from 4 to 27 cm deviated from the experimental data by no more than 10%.

Modelling Photoelectron Production in the Enceladus Plume and Comparison with Observations by CAPS-ELS

NASA Astrophysics Data System (ADS)

Taylor, S. A.; Coates, A. J.; Jones, G.; Wellbrock, A.; Waite, J. H., Jr.

2016-12-01

The Electron Spectrometer (ELS) of the Cassini Plasma Spectrometer (CAPS) measures electrons in the energy range 0.6-28,000 eV with an energy resolution of 16.7%. ELS has observed photoelectrons produced in the plume of Enceladus. These photoelectrons are found during Enceladus encounters in the energetic particle shadow where the spacecraft is shielded from penetrating radiation by the moon [Coates et al, 2013]. Observable is a population of photoelectrons at 20-30eV, which are seen at other bodies in the solar system and are usually associated with ionisation by the strong solar He II (30.4 nm) line. We have identified secondary peaks at 40-50eV detected by ELS which are also interpreted as a warmer population of photoelectrons created through the ionisation of neutrals in the Enceladus torus. We have constructed a model of photoelectron production in the plume and compared it with ELS Enceladus flyby data using automated fitting procedures. This has yielded estimates for electron temperature and density as well as a spacecraft potential estimate which is corrected for.

Multichannel dosemeter and Al2O3:C optically stimulated luminescence fibre sensors for use in radiation therapy: evaluation with electron beams.

PubMed

Magne, S; Auger, L; Bordy, J M; de Carlan, L; Isambert, A; Bridier, A; Ferdinand, P; Barthe, J

2008-01-01

This article proposes an innovative multichannel optically stimulated luminescence (OSL) dosemeter for on-line in vivo dose verification in radiation therapy. OSL fibre sensors incorporating small Al(2)O(3):C fibre crystals (TLD(500)) have been tested with an X-ray generator. A reproducible readout procedure should reduce the fading-induced uncertainty ( approximately - 1% per decade). OSL readouts are temperature-dependent [ approximately 0.3% K(-1) when OSL stimulation is performed at the same temperature as irradiation; approximately 0.16% K(-1) after thermalisation (20 degrees C)]. Sensor calibration and depth-dose measurements with electron beams have been performed with a Saturne 43 linear accelerator in reference conditions at CEA-LNHB (ionising radiation reference laboratory in France). Predosed OSL sensors show a good repeatability in multichannel operation and independence versus electron energy in the range (9, 18 MeV). The difference between absorbed doses measured by OSL and an ionisation chamber were within +/-0.9% (for a dose of about 1 Gy) despite a sublinear calibration curve.

Development of an inductively coupled impulse sputtering source for coating deposition

NASA Astrophysics Data System (ADS)

Loch, Daniel Alexander Llewellyn

In recent years, highly ionised pulsed plasma processes have had a great impact on improving the coating performance of various applications, such as for cutting tools and ITO coatings, allowing for a longer service life and improved defect densities. These improvements stem from the higher ionisation degree of the sputtered material in these processes and with this the possibility of controlling the flux of sputtered material, allowing the regulation of the hardness and density of coatings and the ability to sputter onto complex contoured substrates. The development of Inductively Coupled Impulse Sputtering (ICIS) is aimed at the potential of utilising the advantages of highly ionised plasma for the sputtering of ferromagnetic material. In traditional magnetron based sputter processes ferromagnetic materials would shunt the magnetic field of the magnetron, thus reducing the sputter yield and ionisation efficiency. By generating the plasma within a high power pulsed radio frequency (RF) driven coil in front of the cathode, it is possible to remove the need for a magnetron by applying a high voltage pulsed direct current to the cathode attracting argon ions from the plasma to initiate sputtering. This is the first time that ICIS technology has been deployed in a sputter coating system. To study the characteristics of ICIS, current and voltage waveforms have been measured to examine the effect of increasing RF-power. Plasma analysis has been conducted by optical emission spectroscopy to investigate the excitation mechanisms and the emission intensity. These are correlated to the set RF-power by modelling assumptions based on electron collisions. Mass spectroscopy is used to measure the plasma potential and ion energy distribution function. Pure copper, titanium and nickel coatings have been deposited on silicon with high aspect ratio via to measure the deposition rate and characterise the microstructure. For titanium and nickel the emission modelling results are in good agreement with the model expectations showing that electron collisions are the main excitation mechanism. The plasma potential was measured as 20 eV, this is an ideal level for good adatom mobility with reduced lattice defects. All surfaces in the via were coated, perpendicular column growth on the sidewalls indicates a predominantly ionised metal flux to the substrate and the deposition rates agree with the literature value of the sputter yield of the materials. The results of the studies show that ICIS is a viable process for the deposition of magnetic coatings with high ionisation in the plasma.

Chemical Speciation and Bond Lengths of Organic Solutes by Core-Level Spectroscopy: pH and Solvent Influence on p-Aminobenzoic Acid.

PubMed

Stevens, Joanna S; Gainar, Adrian; Suljoti, Edlira; Xiao, Jie; Golnak, Ronny; Aziz, Emad F; Schroeder, Sven L M

2015-05-04

Through X-ray absorption and emission spectroscopies, the chemical, electronic and structural properties of organic species in solution can be observed. Near-edge X-ray absorption fine structure (NEXAFS) and resonant inelastic X-ray scattering (RIXS) measurements at the nitrogen K-edge of para-aminobenzoic acid reveal both pH- and solvent-dependent variations in the ionisation potential (IP), 1s→π* resonances and HOMO-LUMO gap. These changes unequivocally identify the chemical species (neutral, cationic or anionic) present in solution. It is shown how this incisive chemical state sensitivity is further enhanced by the possibility of quantitative bond length determination, based on the analysis of chemical shifts in IPs and σ* shape resonances in the NEXAFS spectra. This provides experimental access to detecting even minor variations in the molecular structure of solutes in solution, thereby providing an avenue to examining computational predictions of solute properties and solute-solvent interactions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical Speciation and Bond Lengths of Organic Solutes by Core-Level Spectroscopy: pH and Solvent Influence on p -Aminobenzoic Acid

DOE PAGES

Stevens, Joanna S.; Gainar, Adrian; Suljoti, Edlira; ...

2015-03-18

Through X-ray absorption and emission spectroscopies, the chemical, electronic and structural properties of organic species in solution can be observed. Near-edge X-ray absorption fine structure (NEXAFS) and resonant inelastic X-ray scattering (RIXS) measurements at the nitrogen K-edge of para-aminobenzoic acid reveal both pH- and solvent-dependent variations in the ionisation potential (IP), 1s→π* resonances and HOMO–LUMO gap. These changes unequivocally identify the chemical species (neutral, cationic or anionic) present in solution. It is shown how this incisive chemical state sensitivity is further enhanced by the possibility of quantitative bond length determination, based on the analysis of chemical shifts in IPs andmore » σ* shape resonances in the NEXAFS spectra. Finally, this provides experimental access to detecting even minor variations in the molecular structure of solutes in solution, thereby providing an avenue to examining computational predictions of solute properties and solute–solvent interactions.« less

Limitations of silicon diodes for clinical electron dosimetry.

PubMed

Song, Haijun; Ahmad, Munir; Deng, Jun; Chen, Zhe; Yue, Ning J; Nath, Ravinder

2006-01-01

This work investigates the relevance of several factors affecting the response of silicon diode dosemeters in depth-dose scans of electron beams. These factors are electron energy, instantaneous dose rate, dose per pulse, photon/electron dose ratio and electron scattering angle (directional response). Data from the literature and our own experiments indicate that the impact of these factors may be up to +/-15%. Thus, the different factors would have to cancel out perfectly at all depths in order to produce true depth-dose curves. There are reports of good agreement between depth-doses measured with diodes and ionisation chambers. However, our measurements with a Scantronix electron field detector (EFD) diode and with a plane-parallel ionisation chamber show discrepancies both in the build-up and in the low-dose regions, with a ratio up to 1.4. Moreover, the absolute sensitivity of two diodes of the same EFD model was found to differ by a factor of 3, and this ratio was not constant but changed with depth between 5 and 15% in the low-dose regions of some clinical electron beams. Owing to these inhomogeneities among diodes even of the same model, corrections for each factor would have to be diode-specific and beam-specific. All these corrections would have to be determined using parallel plane chambers, as recommended by AAPM TG-25, which would be unrealistic in clinical practice. Our conclusion is that in general diodes are not reliable in the measurement of depth-dose curves of clinical electron beams.

An X-ray/SDSS sample. II. AGN-driven outflowing gas plasma properties

NASA Astrophysics Data System (ADS)

Perna, M.; Lanzuisi, G.; Brusa, M.; Cresci, G.; Mignoli, M.

2017-10-01

Aims: Galaxy-scale outflows are currently observed in many active galactic nuclei (AGNs); however, characterisation of them in terms of their (multi-) phase nature, amount of flowing material, and effects on their host galaxy is still unresolved. In particular, ionised gas mass outflow rate and related energetics are still affected by many sources of uncertainty. In this respect, outflowing gas plasma conditions, being largely unknown, play a crucial role. Methods: We have analysed stacked spectra and sub-samples of sources with high signal-to-noise temperature- and density-sensitive emission lines to derive the plasma properties of the outflowing ionised gas component. We did this by taking advantage of the spectroscopic analysis results we obtained while studying the X-ray/SDSS sample of 563 AGNs at z < 0.8 presented in our companion paper. For these sources, we also studied in detail various diagnostic diagrams to infer information about outflowing gas ionisation mechanisms. Results: We derive, for the first time, median values for electron temperature and density of outflowing gas from medium-size samples ( 30 targets) and stacked spectra of AGNs. Evidence of shock excitation are found for outflowing gas. Conclusions: We measure electron temperatures of the order of 1.7 × 104 K and densities of 1200 cm-3 for faint and moderately luminous AGNs (intrinsic X-ray luminosity 40.5 < log (LX) < 44 in the 2-10 keV band). We note that the electron density that is usually assumed (Ne = 100 cm-3) in ejected material might result in relevant overestimates of flow mass rates and energetics and, as a consequence, of the effects of AGN-driven outflows on the host galaxy.

Equation-of-motion coupled-cluster method for ionised states with spin-orbit coupling using open-shell reference wavefunction

NASA Astrophysics Data System (ADS)

Wang, Zhifan; Wang, Fan

2018-04-01

The equation-of-motion coupled-cluster method for ionised states at the singles and doubles level (EOM-IP-CCSD) with spin-orbit coupling (SOC) included in post-Hartree-Fock (HF) steps is extended to spatially non-degenerate open-shell systems such as high spin states of s1, p3, σ1 or π2 configuration in this work. Pseudopotentials are employed to treat relativistic effects and spin-unrestricted scalar relativistic HF determinant is adopted as reference in calculations. Symmetry is not exploited in the implementation since both time-reversal and spatial symmetry is broken due to SOC. IPs with the EOM-IP-CCSD approach are those from the 3Σ1- states for high spin state of π2 configuration, while the ground state is the 3Σ0- state. When removing an electron from the high spin state of p3 configuration, only the 3P2 state can be reached. The open-shell EOM-IP-CCSD approach with SOC was employed in calculating IPs of some open-shell atoms with s1 configuration, diatomic molecules with π2 configuration and SOC splitting of the ionised π1 state, as well as IPs of VA atoms with p3 configuration. Our results demonstrate that this approach can be applied to ionised states of spatially non-degenerate open-shell states containing heavy elements with reasonable accuracy.

Fully kinetic simulations of magnetic reconnection in partially ionised gases

NASA Astrophysics Data System (ADS)

Innocenti, M. E.; Jiang, W.; Lapenta, G.; Markidis, S.

2016-12-01

Magnetic reconnection has been explored for decades as a way to convert magnetic energy into kinetic energy and heat and to accelerate particles in environments as different as the solar surface, planetary magnetospheres, the solar wind, accretion disks, laboratory plasmas. When studying reconnection via simulations, it is usually assumed that the plasma is fully ionised, as it is indeed the case in many of the above-mentioned cases. There are, however, exceptions, the most notable being the lower solar atmosphere. Small ionisation fractions are registered also in the warm neutral interstellar medium, in dense interstellar clouds, in protostellar and protoplanetary accreditation disks, in tokamak edge plasmas and in ad-hoc laboratory experiments [1]. We study here how magnetic reconnection is modified by the presence of a neutral background, i.e. when the majority of the gas is not ionised. The ionised plasma is simulated with the fully kinetic Particle-In-Cell (PIC) code iPic3D [2]. Collisions with the neutral background are introduced via a Monte Carlo plug-in. The standard Monte Carlo procedure [3] is employed to account for elastic, excitation and ionization electron-neutral collisions, as well as for elastic scattering and charge exchange ion-neutral collisions. Collisions with the background introduce resistivity in an otherwise collisionless plasma and modifications of the particle distribution functions: particles (and ions at a faster rate) tend to thermalise to the background. To pinpoint the consequences of this, we compare reconnection simulations with and without background. References [1] E E Lawrence et al. Physical review letters, 110(1):015001, 2013. [2] S Markidis et al. Mathematics and Computers in Simulation, 80(7):1509-1519, 2010. [3] K Nanbu. IEEE Transactions on plasma science, 28(3):971-990, 2000.

Phenomenological study of the ionisation density-dependence of TLD-100 peak 5a.

PubMed

Brandan, Maria-Ester; Angeles, Oscar; Mercado-Uribe, Hilda

2006-01-01

Horowitz and collaborators have reported evidence on the structure of TLD-100 peak 5. A satellite peak, called 5a, has been singled out as arising from localised electron-hole recombination in a trap/luminescent centre, its emission mechanism would be geminate recombination and, therefore, its population would depend on incident radiation ionisation density. We report a phenomenological study of peak 4, 5a and 5 strengths for glow curves previously measured at UNAM for gammas, electrons and low-energy ions. The deconvolution procedure has followed strict rules to assure that the glow curve, where the presence of peak 5a is not visually noticeable, is decomposed in a consistent fashion, maintaining fixed widths and relative temperature difference between all the peaks. We find no improvement in the quality of the fit after inclusion of peak 5a. The relative contribution of peak 5a with respect to peak 5 does not seem to correlate with the radiation linear energy transfer.

Characterization of peeled and unpeeled almond (Prunus amygdalus) flour after electron beam processing

NASA Astrophysics Data System (ADS)

Lanza, C. M.; Mazzaglia, A.; Paladino, R.; Auditore, L.; Barnà, R. C.; Loria, D.; Trifirò, A.; Trimarchi, M.; Bellia, G.

2013-05-01

Flours of unpeeled and peeled almond seeds have been irradiated with ionising radiation at 1.5 kGy dose by means of 5 MeV energy electron beam. The effects of ionising radiation have been studied concerning microbiological parameters, such as total mesophilic counts, mould, yeast, enterobacters, coliform bacteria, as well as physicochemical parameters, free fatty acid, peroxide number, humidity, activity water, aflatoxin, pesticides, and sensory evaluation of attributes regarding only appearance, olfactory and rheological aspects in accordance with the prescription of Italian laws about the consumption of irradiated food. The results, compared with non-irradiated samples from the same supply, show a sharp decrease of pathogen loads while no significant variations of physicochemical parameters and sensory descriptors have been noticed. These results indicate that irradiation at 1.5 kGy dose, lower than values usually reported in literature, seems to be still a suitable sanitation treatment to extend the shelf-life of this kind of foodstuff while maintaining its nutritional, safe and sensory characteristics.

Dynamics, magnetic properties, and electron binding energies of H2O2 in water.

PubMed

C Cabral, Benedito J

2017-06-21

Results for the magnetic properties and electron binding energies of H 2 O 2 in liquid water are presented. The adopted methodology relies on the combination of Born-Oppenheimer molecular dynamics and electronic structure calculations. The Keal-Tozer functional was applied for predicting magnetic shieldings and H 2 O 2 intramolecular spin-spin coupling constants. Electron binding energies were calculated with electron propagator theory. In water, H 2 O 2 is a better proton donor than proton acceptor, and the present results indicate that this feature is important for understanding magnetic properties in solution. In comparison with the gas-phase, H 2 O 2 atoms are deshielded in water. For oxygen atoms, the deshielding is mainly determined by structural/conformational changes. Hydrogen-bond interactions explain the deshielding of protons in water. The predicted chemical shift for the H 2 O 2 protons in water (δ∼11.8 ppm) is in good agreement with experimental information (δ=11.2 ppm). The two lowest electron binding energies of H 2 O 2 in water (10.7±0.5 and 11.2±0.5 eV) are in reasonable agreement with experiment. In keeping with data from photoelectron spectroscopy, an ∼1.6 eV red-shift of the two first ionisation energies relative to the gas-phase is observed in water. The strong dependence of magnetic properties on changes of the electronic density in the nuclei environment is illustrated by a correlation between the σ( 17 O) magnetic shielding constant and the energy gap between the [2a] lowest valence and [1a] core orbitals of H 2 O 2 .

Secondary ionisations in a wall-less ion-counting nanodosimeter: quantitative analysis and the effect on the comparison of measured and simulated track structure parameters in nanometric volumes

NASA Astrophysics Data System (ADS)

Hilgers, Gerhard; Bug, Marion U.; Gargioni, Elisabetta; Rabus, Hans

2015-10-01

The object of investigation in nanodosimetry is the physical characteristics of the microscopic structure of ionising particle tracks, i.e. the sequence of the interaction types and interaction sites of a primary particle and all its secondaries, which reflects the stochastic nature of the radiation interaction. In view of the upcoming radiation therapy with protons and carbon ions, the ionisation structure of the ion track is of particular interest. Owing to limitations in current detector technology, the only way to determine the ionisation cluster size distribution in a DNA segment is to simulate the particle track structure in condensed matter. This is done using dedicated computer programs based on Monte Carlo procedures simulating the interaction of the primary ions with the target. Hence, there is a need to benchmark these computer codes using suitable experimental data. Ionisation cluster size distributions produced in the nanodosimeter's sensitive volume by monoenergetic protons and alpha particles (with energies between 0.1 MeV and 20 MeV) were measured at the PTB ion accelerator facilities. C3H8 and N2 were alternately used as the working gas. The measured data were compared with the simulation results obtained with the PTB Monte-Carlo code PTra [B. Grosswendt, Radiat. Environ. Biophys. 41, 103 (2002); M.U. Bug, E. Gargioni, H. Nettelbeck, W.Y. Baek, G. Hilgers, A.B. Rosenfeld, H. Rabus, Phys. Rev. E 88, 043308 (2013)]. Measured and simulated characteristics of the particle track structure are generally in good agreement for protons over the entire energy range investigated. For alpha particles with energies higher than the Bragg peak energy, a good agreement can also be seen, whereas for energies lower than the Bragg peak energy differences of as much as 25% occur. Significant deviations are only observed for large ionisation cluster sizes. These deviations can be explained by a background consisting of secondary ions. These ions are produced in the region downstream of the extraction aperture by electrons with a kinetic energy of about 2.5 keV, which are themselves released by ions of the "primary" ionisation cluster hitting an electrode in the ion transport system. Including this background of secondary ions in the simulated cluster size distributions leads to a significantly better agreement between measured and simulated data, especially for large ionisation clusters.

A dual-phase xenon TPC for scintillation and ionisation yield measurements in liquid xenon

NASA Astrophysics Data System (ADS)

Baudis, Laura; Biondi, Yanina; Capelli, Chiara; Galloway, Michelle; Kazama, Shingo; Kish, Alexander; Pakarha, Payam; Piastra, Francesco; Wulf, Julien

2018-05-01

A small-scale, two-phase (liquid/gas) xenon time projection chamber ( Xurich II) was designed, constructed and is under operation at the University of Zürich. Its main purpose is to investigate the microphysics of particle interactions in liquid xenon at energies below 50 keV, which are relevant for rare event searches using xenon as target material. Here we describe in detail the detector, its associated infrastructure, and the signal identification algorithm developed for processing and analysing the data. We present the first characterisation of the new instrument with calibration data from an internal ^83{m} Kr source. The zero-field light yield is 15.0 and 14.0 photoelectrons/keV at 9.4 and 32.1 keV, respectively, and the corresponding values at an electron drift field of 1 kV/cm are 10.8 and 7.9 photoelectrons/keV. The charge yields at these energies are 28 and 31 electrons/keV, with the proportional scintillation yield of 24 photoelectrons per one electron extracted into the gas phase, and an electron lifetime of 200 μ s. The relative energy resolution, σ /E, is 11.9 and 5.8% at 9.4 and 32.1 keV, respectively using a linear combination of the scintillation and ionisation signals. We conclude with measurements of the electron drift velocity at various electric fields, and compare these to literature values.

Controlling plasma properties under differing degrees of electronegativity using odd harmonic dual frequency excitation

NASA Astrophysics Data System (ADS)

Gibson, Andrew R.; Gans, Timo

2017-11-01

The charged particle dynamics in low-pressure oxygen plasmas excited by odd harmonic dual frequency waveforms (low frequency of 13.56 MHz and high frequency of 40.68 MHz) are investigated using a one-dimensional numerical simulation in regimes of both low and high electronegativity. In the low electronegativity regime, the time and space averaged electron and negative ion densities are approximately equal and plasma sustainment is dominated by ionisation at the sheath expansion for all combinations of low and high frequency and the phase shift between them. In the high electronegativity regime, the negative ion density is a factor of 15-20 greater than the low electronegativity cases. In these cases, plasma sustainment is dominated by ionisation inside the bulk plasma and at the collapsing sheath edge when the contribution of the high frequency to the overall voltage waveform is low. As the high frequency component contribution to the waveform increases, sheath expansion ionisation begins to dominate. It is found that the control of the average voltage drop across the plasma sheath and the average ion flux to the powered electrode are similar in both regimes of electronegativity, despite the differing electron dynamics using the considered dual frequency approach. This offers potential for similar control of ion dynamics under a range of process conditions, independent of the electronegativity. This is in contrast to ion control offered by electrically asymmetric waveforms where the relationship between the ion flux and ion bombardment energy is dependent upon the electronegativity.

Interactions between low energy electrons and DNA: a perspective from first-principles simulations

NASA Astrophysics Data System (ADS)

Kohanoff, Jorge; McAllister, Maeve; Tribello, Gareth A.; Gu, Bin

2017-09-01

DNA damage caused by irradiation has been studied for many decades. Such studies allow us to better assess the dangers posed by radiation, and to increase the efficiency of the radiotherapies that are used to combat cancer. A full description of the irradiation process involves multiple size and time scales. It starts with the interaction of radiation—either photons or swift ions—and the biological medium, which causes electronic excitation and ionisation. The two main products of ionising radiation are thus electrons and radicals. Both of these species can cause damage to biological molecules, in particular DNA. In the long run, this molecular level damage can prevent cells from replicating and can hence lead to cell death. For a long time it was assumed that the main actors in the damage process were the radicals. However, experiments in a seminal paper by the group of Leon Sanche in 2000 showed that low-energy electrons (LEE), such as those generated when ionising biological targets, can also cause bond breaks in biomolecules, and strand breaks in plasmid DNA in particular (Boudaiffa et al 2000 Science 287 1658-60). These results prompted a significant amount of experimental and theoretical work aimed at elucidating the role played by LEE in DNA damage. In this Topical Review we provide a general overview of the problem. We discuss experimental findings and theoretical results hand in hand with the aim of describing the physics and chemistry that occurs during the process of radiation damage, from the initial stages of electronic excitation, through the inelastic propagation of electrons in the medium, the interaction of electrons with DNA, and the chemical end-point effects on DNA. A very important aspect of this discussion is the consideration of a realistic, physiological environment. The role played by the aqueous solution and the amino acids from the histones in chromatin must be considered. Moreover, thermal fluctuations must be incorporated when studying these phenomena. Hence, a special place in this Topical Review is occupied by our recent first-principles molecular dynamics simulations that address the issue of how the environment favours or prevents LEEs from causing damage to DNA. We finish by summarising the conclusions achieved so far, and by suggesting a number of possible directions for further study.

Interactions between low energy electrons and DNA: a perspective from first-principles simulations.

PubMed

Kohanoff, Jorge; McAllister, Maeve; Tribello, Gareth A; Gu, Bin

2017-09-27

DNA damage caused by irradiation has been studied for many decades. Such studies allow us to better assess the dangers posed by radiation, and to increase the efficiency of the radiotherapies that are used to combat cancer. A full description of the irradiation process involves multiple size and time scales. It starts with the interaction of radiation-either photons or swift ions-and the biological medium, which causes electronic excitation and ionisation. The two main products of ionising radiation are thus electrons and radicals. Both of these species can cause damage to biological molecules, in particular DNA. In the long run, this molecular level damage can prevent cells from replicating and can hence lead to cell death. For a long time it was assumed that the main actors in the damage process were the radicals. However, experiments in a seminal paper by the group of Leon Sanche in 2000 showed that low-energy electrons (LEE), such as those generated when ionising biological targets, can also cause bond breaks in biomolecules, and strand breaks in plasmid DNA in particular (Boudaiffa et al 2000 Science 287 1658-60). These results prompted a significant amount of experimental and theoretical work aimed at elucidating the role played by LEE in DNA damage. In this Topical Review we provide a general overview of the problem. We discuss experimental findings and theoretical results hand in hand with the aim of describing the physics and chemistry that occurs during the process of radiation damage, from the initial stages of electronic excitation, through the inelastic propagation of electrons in the medium, the interaction of electrons with DNA, and the chemical end-point effects on DNA. A very important aspect of this discussion is the consideration of a realistic, physiological environment. The role played by the aqueous solution and the amino acids from the histones in chromatin must be considered. Moreover, thermal fluctuations must be incorporated when studying these phenomena. Hence, a special place in this Topical Review is occupied by our recent first-principles molecular dynamics simulations that address the issue of how the environment favours or prevents LEEs from causing damage to DNA. We finish by summarising the conclusions achieved so far, and by suggesting a number of possible directions for further study.

Localised and delocalised optically induced conversion of composite glow peak 5 in LiF:Mg,Ti (TLD-100) to glow peak 4 as a function of postirradiation annealing temperature.

PubMed

Horowitz, Y S; Einav, Y; Biderman, S; Oster, L

2002-01-01

The composite structure of glow peak 5 in LiF:Mg,Ti (TLD-100) has been investigated using optical bleaching by 310 nm (4 eV) light. The glow peak conversion efficiency of peak 5a (Tm = 187 degrees C) to peak 4 traps is very high at a value of 3+/-0.5 (1 SD) whereas the glow peak conversion efficiency of peak 5 (Tm = 205 degrees C) to peak 4 traps is 0.0026+/-0.0012 (1 SD). The high conversion efficiency of peak 5a to peak 4 arises from direct optical ionisation of the electron in the electron-hole pair. leaving behind a singly-trapped hole (peak 4), a direct mechanism, relatively free of competitive mechanisms. Optical ionisation of the 'singly-trapped' electron (peak 5), however, can lead to peak 4 only via multi-stage mechanisms involving charge carrier transport in the valence and conduction bands, a mechanism subject to competitive processes. The conduction/valence band competitive processes lead to the factor of one thousand decrease in the conversion efficiency of peak 5 compared to peak 5a.

Modeling of plasma distortions by laser-induced ablation spectroscopy (LIAS) and implications for the interpretation of LIAS measurements

NASA Astrophysics Data System (ADS)

Tokar, M. Z.; Gierse, N.; Philipps, V.; Samm, U.

2015-09-01

For the interpretation of the line radiation observed from laser induced ablation spectroscopy (LIAS) such parameters as the density and temperature of electrons within very compact clouds of atoms and singly charged ions of ablated material have to be known. Compared to the local plasma conditions prior to the laser pulse, these can be strongly changed during LIAS since new electrons are generated by the ionisation of particles ejected from the irradiated target. Because of their transience and spatial inhomogeneity it is technically difficult to measure disturbances induced in the plasma by LIAS. To overcome this uncertainty a numerical model has been elaborated, providing a self-consistent description for the spreading of ablated particles and accompanying modifications in the plasma. The results of calculations for LIAS performed on carbon-containing targets in Ohmic and additionally heated discharges in the tokamak TEXTOR are presented. Due to the increase in the electron density the ‘ionisation per photon’ ratio, S/XB factor, is significantly enhanced compared to unperturbed plasma conditions. The impact of the amount of material ablated and of the plasma conditions before LIAS on the level of the S/XB-enhancement is investigated.

HYDRO2GEN: Non-thermal hydrogen Balmer and Paschen emission in solar flares generated by electron beams

NASA Astrophysics Data System (ADS)

Druett, M. K.; Zharkova, V. V.

2018-03-01

Aim. Sharp rises of hard X-ray (HXR) emission accompanied by Hα line profiles with strong red-shifts up to 4 Å from the central wavelength, often observed at the onset of flares with the Specola Solare Ticinese Telescope (STT) and the Swedish Solar Telescope (SST), are not fully explained by existing radiative models. Moreover, observations of white light (WL) and Balmer continuum emission with the Interface Region Imaging Spectrograph (IRISH) reveal strong co-temporal enhancements and are often nearly co-spatial with HXR emission. These effects indicate a fast effective source of excitation and ionisation of hydrogen atoms in flaring atmospheres associated with HXR emission. In this paper, we investigate electron beams as the agents accounting for the observed hydrogen line and continuum emission. Methods: Flaring atmospheres are considered to be produced by a 1D hydrodynamic response to the injection of an electron beam defining their kinetic temperatures, densities, and macro velocities. We simulated a radiative response in these atmospheres using a fully non-local thermodynamic equilibrium (NLTE) approach for a 5-level plus continuum hydrogen atom model, considering its excitation and ionisation by spontaneous, external, and internal diffusive radiation and by inelastic collisions with thermal and beam electrons. Simultaneous steady-state and integral radiative transfer equations in all optically thick transitions (Lyman and Balmer series) were solved iteratively for all the transitions to define their source functions with the relative accuracy of 10-5. The solutions of the radiative transfer equations were found using the L2 approximation. Resulting intensities of hydrogen line and continuum emission were also calculated for Balmer and Paschen series. Results: We find that inelastic collisions with beam electrons strongly increase excitation and ionisation of hydrogen atoms from the chromosphere to photosphere. This leads to an increase in Lyman continuum radiation, which has high optical thickness, and after the beam is off it governs hydrogen ionisation and leads to the long lasting orders of magnitude enhancement of emission in Balmer and Paschen continua. The ratio of Balmer-to-other-continuum head intensities are found to be correlated with the initial flux of the beam. The height distribution of contribution functions for Paschen continuum emission indicate a close correlation with the observations of heights of WL and HXR emission reported for limb flares. This process also leads to a strong increase of wing emission (Stark's wings) in Balmer and Paschen lines, which is superimposed on large red-shifted enhancements of Hα-Hγ line emission resulting from a downward motion by hydrodynamic shocks. The simulated line profiles are shown to fit closely the observations for various flaring events.

Ionised Jets Associated With Massive Young Stellar Objects

NASA Astrophysics Data System (ADS)

Purser, Simon John Derek

2017-09-01

This thesis focuses on the phenomena of ionised jets associated with massive young stellar objects. Firstly a study was conducted with the aim to establish a statistical sample of such objects. Radio observations towards a sample of 49 MYSOs resulted in the detection of 28 objects classified as ionised jets. The jets’ radio luminosities scaled with their MYSOs’ bolometric luminosities in the same way as for low-mass examples. This infers that the jet launching and collimation mechanisms of high-mass jets are very similar to that in their low-mass counterparts and they are ejected for the last ≤65000 yr of the MYSO phase. Interestingly non-thermal emission was regularly detected towards spatially distinct radio lobes (associated with ˜50% of the jets), suggesting the presence of synchrotron emission and therefore, magnetic fields. With an average spectral index of ¯α=‑0. 55 (indicative of the 1st order Fermi acceleration mechanism) it is concluded these lobes are the result of shocks in the jets’ stream. My second science chapter is a study of radio variability, precession and proper motions towards a subset of objects from the first chapter. Over a two year time period, no significant variability and only one example of proper motion (1800±600 km s‑1) was detected. Precession was found to be commonplace however and if it arises as the result of binary interactions, we infer orbital radii between 30 and 1800 au for the binary companions. Lastly, high-resolution, VLA observations at C and Q-bands were analysed to extend the known sample of MYSOs harbouring ionised jets into the northern hemisphere. Only 3 radio sources were detected possessing jet-like characteristics towards the work’s sub-sample of 8 IRDCs containing 44 mm-cores (in our field of view), highlighting the radio-quiet (≳30μJy) nature of this early phase in massive star formation. Towards the RMS survey derived sample of 48 MYSOs, a total of 38 radio sources with jet-like characteristics were detected, of which 14 were bona-fide jets (10 of which were associated with shock-ionised lobes). Comparing the analysis of the MYSO sample to statistical surveys of molecular outflows, it was inferred from their total momenta that the jets alone are mechanically capable of entraining the outflows. Measurement of the physical extent of the radio emission showed no evolution of the opening angle with bolometric luminosity, and that a trapped Hii region alone was not enough to explain the radio emission. Most interestingly, jets associated with shock ionised lobes were found to occupy later evolutionary IR colours than those without, suggesting them to be an evolutionary stage in ionised jet, and MYSO, evolution.

Improved communication, understanding of risk perception and ethics related to ionising radiation.

PubMed

Perko, Tanja; Raskob, Wolfgang; Jourdain, Jean-Rene

2016-06-06

In Europe today, institutions, media and the general public exchange information about ionizing radiation and associated risks. However, communication about ionising radiation with the general public has to be further improved, as has been previously highlighted by international responses to the 2011 accident in Japan. This article reports the main activities and findings in this field from the following three FP7 projects: EAGLE, PREPARE and OPERRA and discussed by a broad spectrum of stakeholders at the conference RICOMET 2015. These projects, among other aims, also investigate how communication about ionising radiation in different fields could be improved and harmonised, how radiological risks are perceived, how to encourage ethical considerations in all fields of nuclear applications and what kind of transdisciplinary research is needed. The projects relate to several domains; the first relates to education, training and communication, the second to nuclear emergency preparedness and response, and the third to research and development in the radiation protection field. Incorporation of stakeholder engagement activities such as the RICOMET conference broadens social and ethical aspects and takes them into account during coordination activities as well as during core scientific and nuclear research and development performed in the projects. These activities offered opportunities for moving closer to a citizen-centred ideal of risk communication in particular and nuclear research and development in general.

Energetic electron processes fluorescence effects for structured nanoparticles X-ray analysis and nuclear medicine applications

NASA Astrophysics Data System (ADS)

Taborda, A.; Desbrée, A.; Carvalho, A.; Chaves, P. C.; Reis, M. A.

2016-08-01

Superparamagnetic iron oxide (SPIO) nanoparticles are widely used as contrast agents for nuclear magnetic resonance imaging (MRI), and can be modified for improved imaging or to become tissue-specific or even protein-specific. The knowledge of their detailed elemental composition characterisation and potential use in nuclear medicine applications, is, therefore, an important issue. X-ray fluorescence techniques such as particle induced X-ray emission (PIXE) or X-ray fluorescence spectrometry (XRF), can be used for elemental characterisation even in problematic situations where very little sample volume is available. Still, the fluorescence coefficient of Fe is such that, during the decay of the inner-shell ionised atomic structure, keV Auger electrons are produced in excess to X-rays. Since cross-sections for ionisation induced by keV electrons, for low atomic number atoms, are of the order of 103 barn, care should be taken to account for possible fluorescence effects caused by Auger electrons, which may lead to the wrong quantification of elements having atomic number lower than the atomic number of Fe. Furthermore, the same electron processes will occur in iron oxide nanoparticles containing 57Co, which may be used for nuclear medicine therapy purposes. In the present work, simple approximation algorithms are proposed for the quantitative description of radiative and non-radiative processes associated with Auger electrons cascades. The effects on analytical processes and nuclear medicine applications are quantified for the case of iron oxide nanoparticles, by calculating both electron fluorescence emissions and energy deposition on cell tissues where the nanoparticles may be embedded.

Effects of autoionising states on the single and double ionisation yields of neon with soft X-ray fields. JMO Series: Attosecond and Strong Field Science

NASA Astrophysics Data System (ADS)

Middleton, D. P. W.; Nikolopoulos, L. A. A.

2012-11-01

In this work, single and double ionisation yields of neon under extreme ultraviolet free-electron laser (FEL) radiation tuned in the vicinity of the autoionising states (AIS) of Ne+ were studied. Density matrix equations were developed and were used to calculate the dependence of the branching ratios of singly and doubly ionised neon on the field intensity and its duration. In addition, in response to a recent experiment [M. Martins et al., Phys. Rev. A 2011, 80, 023411], a quantitative analysis was undertaken in order to reproduce the magnitude of the branching ratios by varying the FEL photon frequency in the range 41.0-42.0 eV in accordance with the experimental report. While the reported variations of the species' branching ratios as a function of the FEL field's photon energy were found, their magnitude and shape differ. In general, the branching ratios are found to be heavily dependent on the given combination of the peak intensity and the pulse duration. Furthermore, the FEL's stochastic fluctuation has been modelled by solving the average density matrix equations and it was found that stochastic effects should also affect branching ratios, mainly due to the increase in the effective bandwidth of the pulse in comparison with the AIS's decay ionisation width. Our calculations suggest that field fluctuations generally diminish the resonance features of the branching ratios.

Evolution of star formation conditions from high-redshift to low-redshift

NASA Astrophysics Data System (ADS)

Shirazi, Maryam

2015-08-01

There are some hints indicating extreme interstellar medium (ISM) conditions at high redshift e.g., harder ionsing radiation fields and higher electron densities. By analysing the ionisation state of galaxies using their [OIII]5007/[OII]3727 line ratios we recently showed that star-forming galaxies at z~ 1. 5 -- 3. 5 have higher ionisation parameters and higher gas densities relative to that of local galaxies with similar global properties (Shirazi et al. 2014). This means the intrinsic properties e.g., the density of star forming regions at high redshift is different from what we observe in the local Universe. Based on the distribution of galaxies in the BPT diagram, it is proposed that the transition to nearby like conditions happen at 0. 8 < z < 1. 5 (Kewley et al 2013). However, we do not know how star-forming regions of the intermediate redshift galaxies are compared to that of high redshift galaxies that have higher gas fractions and are close to the peak of star formation activity in the Universe. We use the unique capability of the MUSE to indirectly trace the ISM conditions at those redshifts. We measure the spatially-resolved ionisation parameter using [OIII ]5007/ [O II]3727 ratio and we measure the spatially resolved gas density using the [OII] 3727,3729 doublet. We probe the spatial distributions of the ionisation parameter and gas density and search for systematic differences between high, intermediate and low redshift galaxies in terms of their global galaxy properties.

Matrix-assisted laser-induced gas-phase aggregation of C 60 oxides

NASA Astrophysics Data System (ADS)

Barrow, Mark P.; Tower, Nicole J.; Taylor ^*, , Roger; Drewello, Thomas

1998-08-01

Matrix-assisted laser desorption/ionisation of C 60 oxides, in conjunction with reflectron time-of-flight mass spectrometry, leads to an unprecedented gas-phase aggregation resulting in the formation of C 120O n- ·. products. The analysis of the product distribution obtained for oxides of varying oxygen content strongly suggests that the structures of these species are closely related to oxo-bridged isolated fullerene cages rather than to species featuring a fused giant fullerene core.

Determining energy balance in the flaring chromosphere from oxygen V line ratios

NASA Astrophysics Data System (ADS)

Graham, D. R.; Fletcher, L.; Labrosse, N.

2015-12-01

Context. The impulsive phase of solar flares is a time of rapid energy deposition and heating in the lower solar atmosphere, leading to changes in the temperature and density structure of the region. Aims: We use an O v density diagnostic formed from the λ192 /λ248 line ratio, provided by the Hinode/EIS instrument, to determine the density of flare footpoint plasma at O v formation temperatures of ~2.5 × 105 K, giving a constraint on the properties of the heated transition region. Methods: Hinode/EIS rasters from 2 small flare events in December 2007 were used. Raster images were co-aligned to identify and establish the footpoint pixels, multiple-component Gaussian line fitting of the spectra was carried out to isolate the density diagnostic pair, and the density was calculated for several footpoint areas. The assumptions of equilibrium ionisation and optically-thin radiation for the O v lines used were assessed and found to be acceptable. For one of the events, properties of the electron distribution were deduced from earlier RHESSI hard X-ray observations. These were used to calculate the plasma heating rate delivered by an electron beam for 2 semi-empirical atmospheres under collisional thick-target assumptions. The radiative loss rate for this plasma was also calculated for comparison with possible energy input mechanisms. Results: Electron number densities of up to 1011.9 cm-3 were measured during the flare impulsive phase using the O v λ192 /λ248 diagnostic ratio. The heating rate delivered by an electron beam was found to exceed the radiative losses at this density, corresponding to a height of 450 km, and when assuming a completely ionised target atmosphere far exceed the losses but at a height of 1450-1600 km. A chromospheric thickness of 70-700 km was found to be required to balance a conductive input to the O v-emitting region with radiative losses. Conclusions: Electron densities have been observed in footpoint sources at transition region temperatures, comparable to previous results but with improved spatial information. The observed densities can be explained by heating of the chromosphere by collisional electrons, with O v formed at heights of 450-1600 km above the photosphere, depending on the atmospheric ionisation fraction.

Visualisation of γH2AX Foci Caused by Heavy Ion Particle Traversal; Distinction between Core Track versus Non-Track Damage

PubMed Central

Nakajima, Nakako Izumi; Brunton, Holly; Watanabe, Ritsuko; Shrikhande, Amruta; Hirayama, Ryoichi; Matsufuji, Naruhiro; Fujimori, Akira; Murakami, Takeshi; Okayasu, Ryuichi; Jeggo, Penny; Shibata, Atsushi

2013-01-01

Heavy particle irradiation produces complex DNA double strand breaks (DSBs) which can arise from primary ionisation events within the particle trajectory. Additionally, secondary electrons, termed delta-electrons, which have a range of distributions can create low linear energy transfer (LET) damage within but also distant from the track. DNA damage by delta-electrons distant from the track has not previously been carefully characterised. Using imaging with deconvolution, we show that at 8 hours after exposure to Fe (∼200 keV/µm) ions, γH2AX foci forming at DSBs within the particle track are large and encompass multiple smaller and closely localised foci, which we designate as clustered γH2AX foci. These foci are repaired with slow kinetics by DNA non-homologous end-joining (NHEJ) in G1 phase with the magnitude of complexity diminishing with time. These clustered foci (containing 10 or more individual foci) represent a signature of DSBs caused by high LET heavy particle radiation. We also identified simple γH2AX foci distant from the track, which resemble those arising after X-ray exposure, which we attribute to low LET delta-electron induced DSBs. They are rapidly repaired by NHEJ. Clustered γH2AX foci induced by heavy particle radiation cause prolonged checkpoint arrest compared to simple γH2AX foci following X-irradiation. However, mitotic entry was observed when ∼10 clustered foci remain. Thus, cells can progress into mitosis with multiple clusters of DSBs following the traversal of a heavy particle. PMID:23967070

The cause of spatial structure in solar He I 1083 nm multiplet images

NASA Astrophysics Data System (ADS)

Leenaarts, Jorrit; Golding, Thomas; Carlsson, Mats; Libbrecht, Tine; Joshi, Jayant

2016-10-01

Context. The He I 1083 nm is a powerful diagnostic for inferring properties of the upper solar chromosphere, in particular for the magnetic field. The basic formation of the line in one-dimensional models is well understood, but the influence of the complex three-dimensional structure of the chromosphere and corona has however never been investigated. This structure must play an essential role because images taken in He I 1083 nm show structures with widths down to 100 km. Aims: We aim to understand the effect of the three-dimensional temperature and density structure in the solar atmosphere on the formation of the He I 1083 nm line. Methods: We solved the non-LTE radiative transfer problem assuming statistical equilibrium for a simple nine-level helium atom that nevertheless captures all essential physics. As a model atmosphere we used a snapshot from a 3D radiation-MHD simulation computed with the Bifrost code. Ionising radiation from the corona was self-consistently taken into account. Results: The emergent intensity in the He I 1083 nm is set by the source function and the opacity in the upper chromosphere. The former is dominated by scattering of photospheric radiation and does not vary much with spatial location. The latter is determined by the photonionisation rate in the He I ground state continuum, as well as the electron density in the chromosphere. The spatial variation of the flux of ionising radiation is caused by the spatially-structured emissivity of the ionising photons from material at T ≈ 100 kK in the transition region. The hotter coronal material produces more ionising photons, but the resulting radiation field is smooth and does not lead to small-scale variation of the UV flux. The corrugation of the transition region further increases the spatial variation of the amount of UV radiation in the chromosphere. Finally we find that variations in the chromospheric electron density also cause strong variation in He I 1083 nm opacity. We compare our findings to observations using SST, IRIS and SDO/AIA data. A movie associated to Fig. 4 is available at http://www.aanda.org

Cooking strongly coupled plasmas

NASA Astrophysics Data System (ADS)

Clérouin, Jean

2015-09-01

We present the orbital-free method for dense plasmas which allows for efficient variable ionisation molecular dynamics. This approach is a literal application of density functional theory where the use of orbitals is bypassed by a semi-classical estimation of the electron kinetic energy through the Thomas-Fermi theory. Thanks to a coherent definition of ionisation, we evidence a particular regime in which the static structure no longer depends on the temperature: the Γ-plateau. With the help of the well-known Thomas-Fermi scaling laws, we derive the conditions required to obtain a plasma at a given value of the coupling parameter and deduce useful fits. Static and dynamical properties are predicted as well as a a simple equation of state valid on the Γ-plateau. We show that the one component plasma model can be helpful to describe the correlations in real systems.

Biophysical damage in metallo-enzyme and mammalian cells by Cu-K X-rays and radioisotopes

NASA Astrophysics Data System (ADS)

Younis, Abdul-Redha Sahib

In the fields of radiobiology and nuclear medicine there is considerable interest in the important role played by Auger electron cascades caused by inner-shell ionisation in realistic risk. It is necessary to quantify this risk when radionuclides are used on a routine basis as investigative, diagnostic and radiotherapeutic tools, whether the applications involve incorporated electron capture radionuclides or K-shell ionisation of selected stable nuclides by X-rays, as in "photon activation therapy". Relevant published survival data on biological damage caused by the internal emitters 125I, 77Br, 3H, 33P, 131I and 32P which are incorporated into the DNA of mammalian cells, bacteria (E. Coli) and bacteriophages have been collected and the results re-analysed in terms of the parameters of a new damage model to determine an inactivation cross-section for each internal emitter. These quality parameters are the absolute specification of radiation quality and are compared with cross-sections similarly determined for the effects of external radiations from heavy charged particles and photons (chapter 2). The inactivation probabilities obtained for the nuclides 125I, 77Br and 3H extend over a wide range of values depending on the type of nuclide and its distribution, the type of sensitive target and its shape and distribution, and the environmental temperature during both irradiation and post-irradiation incubation. The higher values approach those determined for heavy charged particles with the same mean free path for primary ionisation, and are an order of magnitude larger than would be expected for external irradiation with photon generated electrons. The results for 33P, 131I and 32P nuclides are appreciably smaller than that expected for external irradiation since the long range electrons dissipate most of their energy out of the sensitive target. A theoretical equation for X-ray production by accelerated electrons incident on a thick target has been revised by including factors to compensate for backscattering, direct and indirect ionisation, attenuation in the target and the incident angle of electrons (chapter 3). An electron accelerator X-ray machine capable of delivering monoenergetic photons up to 4.8 gray/sec exposure dose rate from four different targets has been designed, constructed and tested (chapter 4) The biophysical mechanisms of direct and indirect radiation action has also been studied using the metallo-enzyme dihydroorotic dehydrogenase. The enzyme was irradiated both in dry state and in solution at different concentrations and at different dose rates using monoenergetic Cu-K photons from our X-ray machine. A technique was developed whereby it was possible to isolate and quantify each type of radiation action (chapter 5). The inactivation of the enzyme in both solution and in dry state was found to be a single-hit/single-target process. It was also found that in solution the inactivation of the enzyme was dose-rate-and concentration-dependent with efficiency of radical inactivation has an exponential dependence on dose-rate and the inverse of the enzyme concentration. A new model for the inactivation of the enzyme has been suggested and its parameters, namely direct and indirect cross-sections, geometrical cross-section, saturated concentration constant, root mean square diffusion constant, mean free path of radicals absorption, life time and G value of radical production, have been determined. It is expected that this model can be generalised to suit other enzymes (chapter 6).

Identification of substances migrating from plastic baby bottles using a combination of low-resolution and high-resolution mass spectrometric analysers coupled to gas and liquid chromatography.

PubMed

Onghena, Matthias; Van Hoeck, Els; Van Loco, Joris; Ibáñez, María; Cherta, Laura; Portolés, Tania; Pitarch, Elena; Hernandéz, Félix; Lemière, Filip; Covaci, Adrian

2015-11-01

This work presents a strategy for elucidation of unknown migrants from plastic food contact materials (baby bottles) using a combination of analytical techniques in an untargeted approach. First, gas chromatography (GC) coupled to mass spectrometry (MS) in electron ionisation mode was used to identify migrants through spectral library matching. When no acceptable match was obtained, a second analysis by GC-(electron ionisation) high resolution mass spectrometry time of flight (TOF) was applied to obtain accurate mass fragmentation spectra and isotopic patterns. Databases were then searched to find a possible elemental composition for the unknown compounds. Finally, a GC hybrid quadrupole-TOF-MS with an atmospheric pressure chemical ionisation source was used to obtain the molecular ion or the protonated molecule. Accurate mass data also provided additional information on the fragmentation behaviour as two acquisition functions with different collision energies were available (MS(E) approach). In the low-energy function, limited fragmentation took place, whereas for the high-energy function, fragmentation was enhanced. For less volatile unknowns, ultra-high pressure liquid chromatography-quadrupole-TOF-MS was additionally applied. Using a home-made database containing common migrating compounds and plastic additives, tentative identification was made for several positive findings based on accurate mass of the (de)protonated molecule, product ion fragments and characteristic isotopic ions. Six illustrative examples are shown to demonstrate the modus operandi and the difficulties encountered during identification. The combination of these techniques was proven to be a powerful tool for the elucidation of unknown migrating compounds from plastic baby bottles. Copyright © 2015 John Wiley & Sons, Ltd.

Electron heating and the Electrical Asymmetry Effect in capacitively coupled RF discharges

NASA Astrophysics Data System (ADS)

Schulze, Julian

2011-10-01

For applications of capacitive radio frequency discharges, the control of particle distribution functions at the substrate surface is essential. Their spatio-temporal shape is the result of complex heating mechanisms of the respective species. Enhanced process control, therefore, requires a detailed understanding of the heating dynamics. There are two known modes of discharge operation: α- and γ-mode. In α-mode, most ionization is caused by electron beams generated by the expanding sheaths and field reversals during sheath collapse, while in γ-mode secondary electrons dominate the ionisation. In strongly electronegative discharges, a third heating mode is observed. Due to the low electron density in the discharge center the bulk conductivity is reduced and a high electric field is generated to drive the RF current through the discharge center. In this field, electrons are accelerated and cause significant ionisation in the bulk. This bulk heating mode is observed experimentally and by PIC simulations in CF4 discharges. The electron dynamics and mode transitions as a function of driving voltage and pressure are discussed. Based on a detailed understanding of the heating dynamics, the concept of separate control of the ion mean energy and flux in classical dual-frequency discharges is demonstrated to fail under process relevant conditions. To overcome these limitations of process control, the Electrical Asymmetry Effect (EAE) is proposed in discharges driven at multiple consecutive harmonics with adjustable phase shifts between the driving frequencies. Its concept and a recipe to optimize the driving voltage waveform are introduced. The functionality of the EAE in different gases and first applications to large area solar cell manufacturing are discussed. Finally, limitations caused by the bulk heating in strongly electronegative discharges are outlined.

Resolving the Large Scale Spectral Variability of the Luminous Seyfert 1 Galaxy 1H 0419-577

NASA Technical Reports Server (NTRS)

Pounds, K. A.; Reeves, J. N.; Page, K. L.; OBrien, P. T.

2004-01-01

An XMM-Newton observation of the luminous Seyfert 1 galaxy 1H 0419-577 in September 2002, when the source was in an extreme low-flux state, found a very hard X-ray spectrum at 1-10 keV with a strong soft excess below approximately 1 keV. Comparison with an earlier XMM-Newton observation when 1H 0419-577 was X-ray bright indicated the dominant spectral variability was due to a steep power law or cool Comptonized thermal emission. Four further XMM-Newton observations, with 1H 0419-577 in intermediate flux states, now support that conclusion, while we also find the variable emission component in intermediate state difference spectra to be strongly modified by absorption in low ionisation matter. The variable soft excess is seen to be an artefact of absorption of the underlying continuum while the core soft emission is attributed to recombination in an extended region of more highly ionised gas. This new analysis underlines the importance of fully accounting for absorption in characterizing AGN X-ray spectra.

Accumulation and dissipation of positive charges induced on a PMMA build-up cap of an ionisation chamber by (60)Co gamma-ray irradiation.

PubMed

Morishita, Y; Takata, N

2013-07-01

The signal current from an ionisation chamber with a PMMA build-up cap decreases with irradiation time due to electric fields produced by positive charges induced on the cap. In the present study, it was confirmed that the signal current decreases faster for irradiation using narrower (60)Co gamma-ray beams. This is because the number of secondary electrons that are emitted from surrounding materials and penetrate the build-up cap is smaller in a narrower gamma-ray beam, so that fewer positive charges are neutralised. The ionisation chamber was first subjected to continuous gamma-ray irradiation for 24 h, following which it was irradiated with shorter periodic gamma-ray bursts while measuring the current signal. This allowed the coefficients of positive charge accumulation and dissipation to be determined. It was found that the dissipation coefficient has a large constant value during gamma-ray irradiation and decreases asymptotically to a small value after irradiation is stopped. From the coefficients, the minimum signal current was calculated, which is the value when accumulation and dissipation balance each other under continuous irradiation. The time required for the signal current to recover following irradiation was also calculated.

A Discussion about Ionising and Non-Ionising Radiation and the Critical Issue of Mobile Phones

ERIC Educational Resources Information Center

Kontomaris, Stylianos-Vasileios; Malamou, Anna

2018-01-01

Electromagnetic radiation is one of the most important issues affecting peoples' lives today. The misunderstanding of students and the general population of the effects of electromagnetic radiation is a problem which must be eliminated. Thus, a discussion about ionising and non-ionising radiation focusing on the crucial issue of radiation emitted…

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: On the possibility of pumping Xe2* lasers and VUV lamps in the afterglow of a background-electron multiplication wave

NASA Astrophysics Data System (ADS)

Boichenko, Aleksandr M.; Yakovlenko, Sergei I.

2006-12-01

It was shown earlier that the ionisation propagation in a gas at about the atmospheric pressure may proceed due to the multiplication of the existing electrons with a low background density rather than the transfer of electrons or photons. We consider the feasibility of using the plasma produced in the afterglow of this background-electron multiplication wave for pumping plasma lasers (in particular, Xe2* xenon excimer lasers) as well as excilamps. Simulations show that it is possible to achieve the laser effect at λapprox172 nm as well as to substantially improve the peak specific power of the spontaneous radiation of xenon lamps.

Airborne laser-spark for ambient desorption/ionisation.

PubMed

Bierstedt, Andreas; Riedel, Jens

A novel direct sampling ionisation scheme for ambient mass spectrometry is presented. Desorption and ionisation are achieved by a quasi-continuous laser induced plasma in air. Since there are no solid or liquid electrodes involved the ion source does not suffer from chemical interferences or fatigue originating from erosive burning or from electrode consumption. The overall plasma maintains electro-neutrality, minimising charge effects and accompanying long term drift of the charged particles trajectories. In the airborne plasma approach the ambient air not only serves as the plasma medium but at the same time also slows down the nascent ions via collisional cooling. Ionisation of the analyte molecules does not occur in the plasma itself but is induced by interaction with nascent ionic fragments, electrons and/or far ultraviolet photons in the plasma vicinity. At each individual air-spark an audible shockwave is formed, providing new reactive species, which expands concentrically and, thus, prevents direct contact of the analyte with the hot region inside the plasma itself. As a consequence the interaction volume between plasma and analyte does not exceed the threshold temperature for thermal dissociation or fragmentation. Experimentally this indirect ionisation scheme is demonstrated to be widely unspecific to the chemical nature of the analyte and to hardly result in any fragmentation of the studied molecules. A vast ensemble of different test analytes including polar and non-polar hydrocarbons, sugars, low mass active ingredients of pharmaceuticals as well as natural biomolecules in food samples directly out of their complex matrices could be shown to yield easily accessible yet meaningful spectra. Since the plasma medium is humid air, the chemical reaction mechanism of the ionisation is likely to be similar to other ambient ionisation techniques. Wir stellen hier eine neue Ionisationsmethode für die Umgebungsionisation (ambient ionisation) vor. Sowohl die Desorption als auch die Ionisation erfolgen hierbei durch ein laserbetriebenes Luftplasma. Die Abwesenheit fester oder flüssiger Elektroden hat zur Folge, dass die Methode weder unter chemischen Interferenzen noch unter Verschleiß durch Korrosionsbrand oder abgetragenes Elektrodenmaterial leidet. Insgesamt betrachtet herrscht in dem Plasma Elektroneutralität, wodurch Aufladungseffekte minimiert werden, die andernfalls zu einer langfristigenÄderung der Flugbahnen von Ionen während der Experimente führen kann. In dem Ansatz eine freischwebende Luftentladung bei Atmosphärendruck zu verwenden agiert die Luft nicht nur als Plasmamedium sondert dient zusätzlich als Badgas für die stoßinduzierte Kühlung der entstehenden Ionen. Die Ionisierung der Analytmoleküle erfolgt nicht unmittelbar im Plasma sondern in dessen direkter Umgebung durch Wechselwirkung mit freigesetzten ionischen Luftspezies, freien Elektronen oder Photonen im kurzwelligen ultravioletten Bereich. Jede Laserentladung erzeugt eine hörbare Stoßwelle, in welcher neu produzierte reaktive Spezies freigesetzt werden, welche sich konzentrisch ausbreiten, so dass eine Diffusion der Analytmoleküle ins heiße Innere des Plasmas verhindert wird. Daraus folgt, dass im Interaktionsvolumen zwischen Plasma und Analyt der Temperaturgrenzwert für eine thermische Dissoziation oder Fragmentierung der Moleküle nicht überschritten wird. Experimentell konnte belegt werden, dass das vorgestellte Ionisierungsschema sehr unselektiv bezüglich der chemischen Analytklasse ist und kaum Fragmentierungsprodukte beobachtet werden können. Messungen einer breitgefächerten Auswahl unterschiedlicher Testsubstanzen, wie beispielsweise polarer und unpolarer Kohlenwasserstoffe, Zuckern, niedermolekularer pharmazeutischer Wirkstoffe, sowie natürlicher Biomoleküle in Lebensmittelproben unmittelbar aus ihren komplexen Matrizes, führten zu aussagekräftigen Massenspektren. Zumal das Lasermedium feuchte Luft ist, scheint der Reaktionsmechanismus dem anderer Atmosphärendruckionisierungsmethoden zuähneln.

The properties of the extended warm ionised gas around low-redshift QSOs and the lack of extended high-velocity outflows

NASA Astrophysics Data System (ADS)

Husemann, B.; Wisotzki, L.; Sánchez, S. F.; Jahnke, K.

2013-01-01

We present a detailed analysis of a large sample of 31 low-redshift, mostly radio-quiet type 1 quasi-stellar objects (QSOs) observed with integral field spectroscopy to study their extended emission-line regions (EELRs). We focus on the ionisation state of the gas, size and luminosity of extended narrow line regions (ENLRs), which corresponds to those parts of the EELR dominated by ionisation from the QSO, as well as the kinematics of the ionised gas. We detect EELRs around 19 of our 31 QSOs (61%) after deblending the unresolved QSO emission and the extended host galaxy light in the integral field data with a new dedicated algorithm. Based on standard emission-line diagnostics we identify 13 EELRs to be entirely ionised by the QSO radiation, 3 EELRs are composed of H ii regions and 3 EELRs display signatures of both ionisation mechanisms at different locations. The typical size of the ENLR is ~10 kpc at a median nuclear [O iii] luminosity of log (L([O iii])/ [ergs-1]) = 42.7 ± 0.15. We show that the ENLR sizes are least a factor of ~2 larger than determined with the Hubble Space Telescope, but are consistent with those of recently reported type 2 QSOs at matching [O iii] luminosities. The ENLR of type 1 and type 2 QSOs therefore appear to follow the same size-luminosity relation. Furthermore, we show for the first time that the ENLR size is much better correlated with the QSO continuum luminosity than with the total/nuclear [O iii] luminosity. We show that ENLR luminosity and radio luminosity are correlated, and argue that radio jets even in radio-quiet QSOs are important for shaping the properties of the ENLR. Strikingly, the kinematics of the ionised gas is quiescent and likely gravitationally driven in the majority of cases and we find only 3 objects with radial gas velocities exceeding >400 km s-1 in specific regions of the EELR that can be associate with radio jets. In general, these are significantly lower outflow velocities and detection rates compared to starburst galaxies or radio-loud QSOs. This represent a challenge for some theoretical feedback models in which luminous QSOs are expected to radiatively drive an outflow out to scales of the entire host galaxy. Based on observations collected at the Centro Astronómico Hispano Alemán (CAHA) at Calar Alto, operated jointly by the Max- Planck-Institut für Astronomie and the Instituto de Astrofísica de Andalucía (CSIC).Tables 3, 4, and 7 are available in electronic form at http://www.aanda.org

Model simulations of the impact of energetic particle precipitation onto the upper and middle atmosphere

NASA Astrophysics Data System (ADS)

Wieters, Nadine; Sinnhuber, Miriam; Winkler, Holger; Berger, Uwe; Maik Wissing, Jan; Stiller, Gabriele; Funke, Bernd; Notholt, Justus

Solar eruptions and geomagnetic storms can produce fluxes of high-energy protons and elec-trons, so-called Solar Energetic Particle Events, which can enter the Earth's atmosphere espe-cially in polar regions. These particle fluxes primarily cause ionisation and excitation in the upper atmosphere, and thereby the production of HOx and NOx species, which are catalysts for the reduction of ozone. To simulate such particle events, ionisation rates, calculated by the Atmospheric Ionization Module Osnabrück AIMOS (University of Osnabrück), have been implemented into the Bremen 3D Chemistry and Transport Model. To cover altitudes up to the mesopause, the model is driven by meteorological data, provided by the Leibniz-Institute Middle Atmosphere Model LIMA (IAP Kühlungsborn). For several electron and proton events during the highly solar-active period 2003/2004, model calculations have been carried out. To investigate the accordance of modeled to observed changes for atmospheric constituents like NO, NO2 , HNO3 , N2 O5 , ClO, and O3 , results of these calculations will be compared to measurements by the Michelson Interferometer for Passive Atmospheric Sounding MIPAS (ENVISAT) instrument. Computed model results and comparisons with measurements will be presented.

Benchmarking the Fundamental Electronic Properties of small TiO 2 Nanoclusters by GW and Coupled Cluster Theory Calculations

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

Berardo, Enrico; Kaplan, Ferdinand; Bhaskaran-Nair, Kiran

We study the vertical ionisation potential, electron affinity, fundamental gap and exciton binding energy values of small bare and hydroxylated TiO 2 nanoclusters to understand how the excited state properties change as a function of size and hydroxylation. In addition, we have employed a range of many-body methods; including G 0 W 0, qs GW, EA/IP-EOM-CCSD and DFT (B3LYP, PBE), to compare the performance and predictions of the different classes of methods. We demonstrate that for bare (i.e. non-hydroxylated) clusters all many-body methods predict the same trend with cluster size. The highest occupied and lowest unoccupied DFT orbitals follow themore » same trends as the electron affinity and ionisation potentials predicted by the many-body methods but are generally far too shallow and deep respectively in absolute terms. In contrast, the ΔDFT method is found to yield values in the correct energy window. However, its predictions depend on the functional used and do not necessarily follow trends based on the many-body methods. The effect of hydroxylation of the clusters is to open up both the optical and fundamental gap. In conclusion, a simple microscopic explanation for the observed trends with cluster size and upon hydroxylation is proposed in terms of the Madelung onsite potential.« less

Benchmarking the Fundamental Electronic Properties of small TiO 2 Nanoclusters by GW and Coupled Cluster Theory Calculations

DOE PAGES

Berardo, Enrico; Kaplan, Ferdinand; Bhaskaran-Nair, Kiran; ...

2017-06-19

We study the vertical ionisation potential, electron affinity, fundamental gap and exciton binding energy values of small bare and hydroxylated TiO 2 nanoclusters to understand how the excited state properties change as a function of size and hydroxylation. In addition, we have employed a range of many-body methods; including G 0 W 0, qs GW, EA/IP-EOM-CCSD and DFT (B3LYP, PBE), to compare the performance and predictions of the different classes of methods. We demonstrate that for bare (i.e. non-hydroxylated) clusters all many-body methods predict the same trend with cluster size. The highest occupied and lowest unoccupied DFT orbitals follow themore » same trends as the electron affinity and ionisation potentials predicted by the many-body methods but are generally far too shallow and deep respectively in absolute terms. In contrast, the ΔDFT method is found to yield values in the correct energy window. However, its predictions depend on the functional used and do not necessarily follow trends based on the many-body methods. The effect of hydroxylation of the clusters is to open up both the optical and fundamental gap. In conclusion, a simple microscopic explanation for the observed trends with cluster size and upon hydroxylation is proposed in terms of the Madelung onsite potential.« less

A discussion about ionising and non-ionising radiation and the critical issue of mobile phones

NASA Astrophysics Data System (ADS)

Kontomaris, Stylianos-Vasileios; Malamou, Anna

2018-01-01

Electromagnetic radiation is one of the most important issues affecting peoples’ lives today. The misunderstanding of students and the general population of the effects of electromagnetic radiation is a problem which must be eliminated. Thus, a discussion about ionising and non-ionising radiation focusing on the crucial issue of radiation emitted by mobile phones is presented.

Intercomparison of photon dose measurements at the 8 MeV electron accelerator

NASA Astrophysics Data System (ADS)

Angelescu, T.; Ghiordănescu, N.; Băl ţă ţeanu, N.; Labău, V.; Vasilescu, A.

1997-02-01

Measurements of dose with thermoluminescent detectors (TLD) and an ionisation chamber were performed in the range of 5-70 Gy in the electron bremsstrahlung field with a maximum energy of 8 MeV of the Bucharest linear accelerator. Previous calibration was done with a 60Co source. The results of the intercomparison were used in dosimetry of the n - γ field of the ΣΣ irradiation facility, with a photon spectrum similar to the 8 MeV bremsstrahlung field [T. Angelescu et al., Nucl. Instr. and Meth. A 378 (1996) 594].

How do air ions reflect variations in ionising radiation in the lower atmosphere in a boreal forest?

NASA Astrophysics Data System (ADS)

Chen, Xuemeng; Kerminen, Veli-Matti; Paatero, Jussi; Paasonen, Pauli; Manninen, Hanna E.; Nieminen, Tuomo; Petäjä, Tuukka; Kulmala, Markku

2016-11-01

Most of the ion production in the atmosphere is attributed to ionising radiation. In the lower atmosphere, ionising radiation consists mainly of the decay emissions of radon and its progeny, gamma radiation of the terrestrial origin as well as photons and elementary particles of cosmic radiation. These types of radiation produce ion pairs via the ionisation of nitrogen and oxygen as well as trace species in the atmosphere, the rate of which is defined as the ionising capacity. Larger air ions are produced out of the initial charge carriers by processes such as clustering or attachment to pre-existing aerosol particles. This study aimed (1) to identify the key factors responsible for the variability in ionising radiation and in the observed air ion concentrations, (2) to reveal the linkage between them and (3) to provide an in-depth analysis into the effects of ionising radiation on air ion formation, based on measurement data collected during 2003-2006 from a boreal forest site in southern Finland. In general, gamma radiation dominated the ion production in the lower atmosphere. Variations in the ionising capacity came from mixing layer dynamics, soil type and moisture content, meteorological conditions, long-distance transportation, snow cover attenuation and precipitation. Slightly similar diurnal patterns to variations in the ionising capacity were observed in air ion concentrations of the cluster size (0.8-1.7 nm in mobility diameters). However, features observed in the 0.8-1 nm ion concentration were in good connection to variations of the ionising capacity. Further, by carefully constraining perturbing variables, a strong dependency of the cluster ion concentration on the ionising capacity was identified, proving the functionality of ionising radiation in air ion production in the lower atmosphere. This relationship, however, was only clearly observed on new particle formation (NPF) days, possibly indicating that charges after being born underwent different processes on NPF days and non-event days and also that the transformation of newly formed charges to cluster ions occurred in a shorter timescale on NPF days than on non-event days.

Thermoluminescence solid-state nanodosimetry—the peak 5A/5 dosemeter

PubMed Central

Fuks, E.; Horowitz, Y. S.; Horowitz, A.; Oster, L.; Marino, S.; Rainer, M.; Rosenfeld, A.; Datz, H.

2011-01-01

The shape of composite peak 5 in the glow curve of LiF:Mg,Ti (TLD-100) following 90Sr/90Y beta irradiation, previously demonstrated to be dependent on the cooling rate used in the 400°C pre-irradiation anneal, is shown to be dependent on ionisation density in both naturally cooled and slow-cooled samples. Following heavy-charged particle high-ionisation density (HID) irradiation, the temperature of composite peak 5 decreases by ∼5°C and the peak becomes broader. This behaviour is attributed to an increase in the relative intensity of peak 5a (a low-temperature satellite of peak 5). The relative intensity of peak 5a is estimated using a computerised glow curve deconvolution code based on first-order kinetics. The analysis uses kinetic parameters for peaks 4 and 5 determined from ancillary measurements resulting in nearly ‘single-glow peak’ curves for both the peaks. In the slow-cooled samples, owing to the increased relative intensity of peak 5a compared with the naturally cooled samples, the precision of the measurement of the 5a/5 intensity ratio is found to be ∼15 % (1 SD) compared with ∼25 % for the naturally cooled samples. The ratio of peak 5a/5 in the slow-cooled samples is found to increase systematically and gradually through a variety of radiation fields from a minimum value of 0.13±0.02 for 90Sr/90Y low-ionisation density irradiations to a maximum value of ∼0.8 for 20 MeV Cu and I ion HID irradiations. Irradiation by low-energy electrons of energy 0.1–1.5 keV results in values between 1.27 and 0.95, respectively. The increasing values of the ratio of peak 5a/5 with increasing ionisation density demonstrate the viability of the concept of the peak 5a/5 nanodosemeter and its potential in the measurement of average ionisation density in a ‘nanoscopic’ mass containing the trapping centre/luminescent centre spatially correlated molecule giving rise to composite peak 5. PMID:21149323

Plasma parameters in a multidipole plasma system

NASA Astrophysics Data System (ADS)

Ruscanu, D.; Anita, V.; Popa, G.

Plasma potential and electron number densities and electron temperatures under bi-Maxwellian approximation for electron distribution function of the multidipole argon plasma source system were measured for a gas pressure ranging between 10-4 and 10-3 mbar and an anode-cathode voltage ranging between 40 and 120 V but a constant discharge current intensity. The first group, as ultimate or cold electrons and main electron plasma population, results by trapping of the slow electrons produced by ionisation process due to primary-neutral collisions. The trapping process is produced by potential well due to positive plasma potential with respect to the anode so that electron temperature of the ultimate electrons does not depend on both the gas pressure and discharge voltage. The second group, as secondary or hot electrons, results as degrading process of the primaries and their number density increases while their temperature decreases with the increase of both the gas pressure and discharge voltage.

Effects of ionised or chelated water-soluble mineral mixture supplementation on growth performance, nutrient digestibility, blood characteristics, meat quality and intestinal microbiota in broilers.

PubMed

Upadhaya, S D; Lee, B R; Kim, I H

2016-04-01

An experiment was conducted to study the effects of dietary supplementation of water-soluble ionised or chelated mineral mixture on growth performance, nutrient digestibility, blood characteristics, relative organ weight, meat quality and excreta microflora in broilers. A total of 408 Arbor Acres broilers (17 birds in 8 replicate pens) were randomly allocated into one of the following three treatments: (1) Control/basal diet (CON), (2) T1 (basal diet + 0.5% ionised mineral mixture solution, pH 3.0) and (3) T2 (basal diet + 0.5% chelated mineral mixture solution, pH 3.0). The body weight gain was greater and feed conversion ratio was lower in broilers supplemented with ionised or chelated mineral liquid complex compared to CON during the grower and overall phase of the experiment. No significant effect in the concentration of Ca and P in the blood was observed in birds supplemented with ionised or chelated mineral mixture solution. No adverse effects were observed in organ weight and meat quality with ionised or chelated mineral mixture supplementation. Regarding intestinal microbiota counts there was a reduction of Escherichia coli counts in the small intestine in ionised mineral supplemented birds. In the large intestine, E. coli as well as Salmonella populations were reduced in ionised mineral supplemented birds. In conclusion, ionised or chelated minerals have partial positive effects in improving growth performance and reducing pathogenic bacteria load in the gastro-intestinal tract.

Dissipative instability in a partially ionised prominence plasma slab

NASA Astrophysics Data System (ADS)

Ballai, I.; Pintér, B.; Oliver, R.; Alexandrou, M.

2017-07-01

Aims: We aim to investigate the nature of dissipative instability appearing in a prominence planar thread filled with partially ionised plasma in the incompressible limit. The importance of partial ionisation is investigated in terms of the ionisation factor and the wavelength of sausage and kink waves propagating in the slab. Methods: In order to highlight the role of partial ionisation, we have constructed models describing various situations we can meet in solar prominence fine structure. Matching the solutions for the transversal component of the velocity and total pressure at the interfaces between the prominence slab and surrounding plasmas, we derived a dispersion relation whose imaginary part describes the evolution of the instability. Results were obtained in the limit of weak dissipation. We have investigated the appearance of instabilities in prominence dark plumes using single and two-fluid approximations. Results: Using simple analytical methods, we show that dissipative instabilities appear for flow speeds that are less than the Kelvin-Helmholtz instability threshold. The onset of instability is determined by the equilibrium flow strength, the ionisation factor of the plasma, the wavelength of waves and the ion-neutral collisional rate. For a given wavelength and for ionisation degrees closer to a neutral gas, the propagating waves become unstable for a narrow band of flow speeds, meaning that neutrals have a stabilising effect. Our results show that the partially ionised plasma describing prominence dark plumes becomes unstable only in a two-fluid (charged particles-neutrals) model, that is for periods that are smaller than the ion-neutral collision time. Conclusions: The present study improves our understanding of the complexity of dynamical processes and stability of solar prominences and the role partial ionisation in destabilising the plasma. We showed the necessity of two-fluid approximation when discussing the nature of instabilities: waves in a single fluid approximation show a great deal of stability. Our results clearly show that the problem of partial ionisation introduces new aspects of plasma stability with consequences on the evolution of partially ionised plasmas and solar prominences, in particular.

The ionisation parameter of star-forming galaxies evolves with the specific star formation rate

NASA Astrophysics Data System (ADS)

Kaasinen, Melanie; Kewley, Lisa; Bian, Fuyan; Groves, Brent; Kashino, Daichi; Silverman, John; Kartaltepe, Jeyhan

2018-04-01

We investigate the evolution of the ionisation parameter of star-forming galaxies using a high-redshift (z ˜ 1.5) sample from the FMOS-COSMOS survey and matched low-redshift samples from the Sloan Digital Sky Survey. By constructing samples of low-redshift galaxies for which the stellar mass (M*), star formation rate (SFR) and specific star formation rate (sSFR) are matched to the high-redshift sample we remove the effects of an evolution in these properties. We also account for the effect of metallicity by jointly constraining the metallicity and ionisation parameter of each sample. We find an evolution in the ionisation parameter for main-sequence, star-forming galaxies and show that this evolution is driven by the evolution of sSFR. By analysing the matched samples as well as a larger sample of z < 0.3, star-forming galaxies we show that high ionisation parameters are directly linked to high sSFRs and are not simply the byproduct of an evolution in metallicity. Our results are physically consistent with the definition of the ionisation parameter, a measure of the hydrogen ionising photon flux relative to the number density of hydrogen atoms.

Optical fibre luminescence sensor for real-time LDR brachytherapy dosimetry

NASA Astrophysics Data System (ADS)

Woulfe, P.; Sullivan, F. J.; O'Keeffe, S.

2016-05-01

An optical fibre sensor for monitoring low dose radiation is presented. The sensor is based on a scintillation material embedded within the optical fibre core, which emits visible light when exposed to low level ionising radiation. The incident level of ionising radiation can be determined by analysing the optical emission. An optical fibre sensor is presented, based on radioluminescence whereby radiation sensitive scintillation material, terbium doped gadolinium oxysulphide (Gd2O2S:Tb), is embedded in a cavity of 250μm of a 500μm plastic optical fibre. The sensor is designed for in-vivo monitoring of the radiation dose during radio-active seed implantation for brachytherapy, in prostate cancer treatment, providing oncologists with real-time information of the radiation dose to the target area and/or nearby critical structures. The radiation from the brachytherapy seeds causes emission of visible light from the scintillation material through the process of radioluminescence, which penetrates the fibre, propagating along the optical fibre for remote detection using a multi-pixel photon counter. The sensor demonstrates a high sensitivity to Iodine-125, the radioactive source most commonly used in brachytherapy for treating prostate cancer.

Resolving the Large Scale Spectral Variability of the Luminous Seyfert 1 Galaxy 1H 0419-577: Evidence for a New Emission Component and Absorption by Cold Dense Matter

NASA Technical Reports Server (NTRS)

Pounds, K. A.; Reeves, J. N.; Page, K. L.; OBrien, P. T.

2004-01-01

An XMM-Newton observation of the luminous Seyfert 1 galaxy 1H 0419-577 in September 2002, when the source was in an extreme low-flux state, found a very hard X-ray spectrum at 1-10 keV with a strong soft excess below -1 keV. Comparison with an earlier XMM-Newton observation when 1H 0419-577 was X-ray bright indicated the dominant spectral variability was due to a steep power law or cool Comptonised thermal emission. Four further XMM-Newton observations, with 1H 0419-577 in intermediate flux states, now support that conclusion, while we also find the variable emission component in intermediate state difference spectra to be strongly modified by absorption in low ionisation matter. The variable soft excess then appears to be an artefact of absorption of the underlying continuum while the core soft emission can be attributed to re- combination in an extended region of more highly ionised gas. We note the wider implications of finding substantial cold dense matter overlying (or embedded in) the X-ray continuum source in a luminous Seyfert 1 galaxy.

Optical fibre luminescence sensor for real-time LDR brachytherapy dosimetry

NASA Astrophysics Data System (ADS)

Woulfe, P.; O'Keeffe, S.; Sullivan, F. J.

2018-02-01

An optical fibre sensor for monitoring low dose radiation is presented. The sensor is based on a scintillation material embedded within the optical fibre core, which emits visible light when exposed to low level ionising radiation. The incident level of ionising radiation can be determined by analysing the optical emission. An optical fibre sensor is developed, based on radioluminescence whereby radiation sensitive scintillation material, terbium doped gadolinium oxysulphide (Gd2O2S:Tb), is embedded in a cavity of 700μm of a 1mm plastic optical fibre. The sensor is designed for in-vivo monitoring of the radiation dose during radio-active seed implantation for low dose rate (LDR) brachytherapy, in prostate cancer treatment, providing radiation oncologists with real-time information of the radiation dose to the target area and/or nearby organs at risk (OARs). The radiation from the brachytherapy seeds causes emission of visible light from the scintillation material through the process of radioluminescence, which penetrates the fibre, propagating along the optical fibre for remote detection using a multi-pixel photon counter. The sensor demonstrates a high sensitivity to 0.397mCi of Iodine125, the radioactive source most commonly used in brachytherapy for treating prostate cancer.

A Virgo Environmental Survey Tracing Ionised Gas Emission (VESTIGE). I. Introduction to the survey

NASA Astrophysics Data System (ADS)

Boselli, A.; Fossati, M.; Ferrarese, L.; Boissier, S.; Consolandi, G.; Longobardi, A.; Amram, P.; Balogh, M.; Barmby, P.; Boquien, M.; Boulanger, F.; Braine, J.; Buat, V.; Burgarella, D.; Combes, F.; Contini, T.; Cortese, L.; Côté, P.; Côté, S.; Cuillandre, J. C.; Drissen, L.; Epinat, B.; Fumagalli, M.; Gallagher, S.; Gavazzi, G.; Gomez-Lopez, J.; Gwyn, S.; Harris, W.; Hensler, G.; Koribalski, B.; Marcelin, M.; McConnachie, A.; Miville-Deschenes, M. A.; Navarro, J.; Patton, D.; Peng, E. W.; Plana, H.; Prantzos, N.; Robert, C.; Roediger, J.; Roehlly, Y.; Russeil, D.; Salome, P.; Sanchez-Janssen, R.; Serra, P.; Spekkens, K.; Sun, M.; Taylor, J.; Tonnesen, S.; Vollmer, B.; Willis, J.; Wozniak, H.; Burdullis, T.; Devost, D.; Mahoney, B.; Manset, N.; Petric, A.; Prunet, S.; Withington, K.

2018-06-01

The Virgo Environmental Survey Tracing Ionised Gas Emission (VESTIGE) is a blind narrow-band (NB) Hα+[NII] imaging survey carried out with MegaCam at the Canada-France-Hawaii Telescope. The survey covers the whole Virgo cluster region from its core to one virial radius (104 deg2). The sensitivity of the survey is of f(Hα) 4 × 10-17 erg s-1 cm-2 (5σ detection limit) for point sources and Σ(Hα) 2 × 10-18 erg s-1 cm-2 arcsec-2 (1σ detection limit at 3 arcsec resolution) for extended sources, making VESTIGE the deepest and largest blind NB survey of a nearby cluster. This paper presents the survey in all its technical aspects, including the survey design, the observing strategy, the achieved sensitivity in both the NB Hα+[NII] and in the broad-band r filter used for the stellar continuum subtraction, the data reduction, calibration, and products, as well as its status after the first observing semester. We briefly describe the Hα properties of galaxies located in a 4 × 1 deg2 strip in the core of the cluster north of M87, where several extended tails of ionised gas are detected. This paper also lists the main scientific motivations for VESTIGE, which include the study of the effects of the environment on galaxy evolution, the fate of the stripped gas in cluster objects, the star formation process in nearby galaxies of different type and stellar mass, the determination of the Hα luminosity function and of the Hα scaling relations down to 106 M⊙ stellar mass objects, and the reconstruction of the dynamical structure of the Virgo cluster. This unique set of data will also be used to study the HII luminosity function in hundreds of galaxies, the diffuse Hα+[NII] emission of the Milky Way at high Galactic latitude, and the properties of emission line galaxies at high redshift. Based on observations obtained with MegaPrime/MegaCam, a joint project of CFHT and CEA/DAPNIA, at the Canada-France-Hawaii Telescope (CFHT) which is operated by the National Research Council (NRC) of Canada, the Institut National des Sciences de l'Univers of the Centre National de la Recherche Scientifique (CNRS) of France and the University of Hawaii.

Charge transport, interfacial interactions and synergistic mechanisms in BiNbO4/MWO4 (M = Zn and Cd) heterostructures for hydrogen production: insights from a DFT+U study.

PubMed

Opoku, Francis; Kuben Govender, Krishna; van Sittert, Cornelia Gertina Catharina Elizabeth; Poomani Govender, Penny

2017-10-25

In the 21st century, the growing demand of global energy is one of the key challenges. The photocatalytic generation of hydrogen has attracted extensive attention to discuss the increasing global demand for sustainable and clean energy. However, hydrogen evolution reactions normally use the economically expensive rare noble metals and the processes remain a challenge. Herein, low-cost BiNbO 4 /MWO 4 (010) heterostructures are studied for the first time to check their suitability towards photocatalytic hydrogen production. A theoretical study with the aid of density functional theory (DFT) is used to investigate the synergistic effect, ionisation energy, electron affinities, charge transfer, electronic properties and the underlying mechanism for hydrogen generation of BiNbO 4 /MWO 4 (010) heterostructures. The experimental band gaps of bulk ZnWO 4 , CdWO 4 and BiNbO 4 are well reproduced using the DFT+U method. The calculated band edge position shows a type-II staggered band alignment and the charge transfer between BiNbO 4 and MWO 4 monolayers results in a large interfacial built-in potential, which will favour the separation of charge carriers in the heterostructures. The effective mass of the photoinduced holes is higher compared to the electrons, making the heterostructures useful in hydrogen production. The relatively low ionisation energy and electron affinity for the heterostructures compared to the monolayers make them ideal for photocatalysis applications due to their small energy barrier for the injection of electrons and creation of holes. The BiNbO 4 /MWO 4 (010) heterostructures are more suitable for photocatalytic hydrogen production due to their strong reducing power relative to the H + /H 2 O potential. This study sheds light on the less known BiNbO 4 /ZnWO 4 (010) heterostructures and the fully explored electronic and optical properties will pave way for future photocatalytic water splitting applications.

Triply differential (e,2e) studies of phenol.

PubMed

da Silva, G B; Neves, R F C; Chiari, L; Jones, D B; Ali, E; Madison, D H; Ning, C G; Nixon, K L; Lopes, M C A; Brunger, M J

2014-09-28

We have measured (e,2e) triple differential cross sections (TDCS) for the electron-impact ionisation of phenol with coplanar asymmetrical kinematics for an incident electron energy of 250 eV. Experimental measurements of the angular distribution of the slow outgoing electrons at 20 eV are obtained when the incident electron scatters through angles of -5°, -10°, and -15°, respectively. The TDCS data are compared with calculations performed within the molecular 3-body distorted wave model. In this case, a mixed level of agreement, that was dependent on the kinematical condition being probed, was observed between the theoretical and experimental results in the binary peak region. The experimental intensity of the recoil features under all kinematical conditions was relatively small, but was still largely underestimated by the theoretical calculations.

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

Silva, G. B. da; Universidade Federal de Mato Grosso, Barra do Garças, MT 78600-000; Neves, R. F. C.

We have measured (e,2e) triple differential cross sections (TDCS) for the electron-impact ionisation of phenol with coplanar asymmetrical kinematics for an incident electron energy of 250 eV. Experimental measurements of the angular distribution of the slow outgoing electrons at 20 eV are obtained when the incident electron scatters through angles of −5°, −10°, and −15°, respectively. The TDCS data are compared with calculations performed within the molecular 3-body distorted wave model. In this case, a mixed level of agreement, that was dependent on the kinematical condition being probed, was observed between the theoretical and experimental results in the binary peakmore » region. The experimental intensity of the recoil features under all kinematical conditions was relatively small, but was still largely underestimated by the theoretical calculations.« less

Triply differential (e,2e) studies of phenol

NASA Astrophysics Data System (ADS)

da Silva, G. B.; Neves, R. F. C.; Chiari, L.; Jones, D. B.; Ali, E.; Madison, D. H.; Ning, C. G.; Nixon, K. L.; Lopes, M. C. A.; Brunger, M. J.

2014-09-01

We have measured (e,2e) triple differential cross sections (TDCS) for the electron-impact ionisation of phenol with coplanar asymmetrical kinematics for an incident electron energy of 250 eV. Experimental measurements of the angular distribution of the slow outgoing electrons at 20 eV are obtained when the incident electron scatters through angles of -5°, -10°, and -15°, respectively. The TDCS data are compared with calculations performed within the molecular 3-body distorted wave model. In this case, a mixed level of agreement, that was dependent on the kinematical condition being probed, was observed between the theoretical and experimental results in the binary peak region. The experimental intensity of the recoil features under all kinematical conditions was relatively small, but was still largely underestimated by the theoretical calculations.

Spectrometre de masse a ionisation Penning selective: Elimination des corrections necessaires a la determination du rapport isotopique de l'hydrogene

NASA Astrophysics Data System (ADS)

Letarte, Sylvain

Dans le but d'ameliorer la precision avec laquelle le rapport isotopique de l'hydrogene peut etre determine, un spectrometre de masse a ionisation Penning a ete construit pour provoquer l'ionisation selective de l'hydrogene moleculaire et de l'hydrure de deuterium a partir d'un melange gazeux. L'utilisation d'atomes dans des etats d'excitation metastable s'est averee une solution adequate pour reponde a cette attente. L'emploi de l'helium, a l'interieur d'une source d'atomes metastables construit specifiquement pour ce travail, ne permet pas d'obtenir un spectre de masse compose uniquement des deux molecules d'interet. L'ionisation de ces dernieres provient de deux processus distincts, soient l'ionisation Penning et l'ionisation par bombardement electronique. Contrairement a l'helium, il a ete demontre que le neon metastable est un candidat ideal pour produire l'ionisation selective de type Penning. Le nombre d'ions produits est directement proportionnel au courant de la decharge electrique et de la pression d'operation de la source d'atomes metastables. Ces resultats demontrent le potentiel d'un tel spectrometre de masse pour ameliorer la precision a laquelle le rapport isotopique peut etre determine comparativement aux autres techniques existantes.

Influence du traitement ionisant par rayonnement γ sur le pouvoir antioxydant de fractions polyphénoliques issues de substances d'origine végétale

NASA Astrophysics Data System (ADS)

Stuyck, S.; Connaulte, J.; Lesgards, G.; Prost, M.; Raffi, J.

1998-04-01

Ionizing radiation of vegetables is a cleaning up and preservation physical treatment which consists in submitting them to γ radiation, X radiation or electrons beam. This study deals with the influence of γ radiation on antioxidative effect of vegetables polyphenolic parts. In that purpose, we use a simple biological test based on erythrocytes haemolysis. Le traitement ionisant des produits végétaux est un procédé physique d'assainissement et de conservation qui consiste à les soumettre à l'action de rayonnements γ, de rayons X ou de faisceaux d'électrons. Ce travail porte sur l'étude de l'influence des rayonnements γ sur le pouvoir antioxydant de fractions polyphénoliques issues de substances d'origine végétale. Pour cela, un test biologique basé sur l'hémolyse d'érythrocytes est utilisé.

Nurses', physicians' and radiographers' perceptions of the safety of a nurse prescribing of ionising radiation initiative: A cross-sectional survey.

PubMed

Hyde, Abbey; Coughlan, Barbara; Naughton, Corina; Hegarty, Josephine; Savage, Eileen; Grehan, Jennifer; Kavanagh, Eoin; Moughty, Adrian; Drennan, Jonathan

2016-06-01

A new initiative was introduced in Ireland following legislative changes that allowed nurses with special training to prescribe ionising radiation (X-ray) for the first time. A small number of studies on nurse prescribing of ionising radiation in other contexts have found it to be broadly as safe as ionising radiation prescribing by physicians. Sociological literature on perceptions of safety indicates that these tend to be shaped by the ideological position of the professional rather than based on objective evidence. To describe, compare and analyse perceptions of the safety of a nurse prescribing of ionising radiation initiative across three occupational groups: nursing, radiography and medicine. A cross-sectional survey design. Participants were drawn from a range of clinical settings in Ireland. Respondents were 167 health professionals comprised of 49 nurses, 91 radiographers, and 27 physicians out of a total of 300 who were invited to participate. Non-probability sampling was employed and the survey was targeted specifically at health professionals with a specific interest in, or involvement with, the development of the nurse prescribing of ionising radiation initiative in Ireland. Comparisons of perspectives on the safety of nurse prescribing of ionising radiation across the three occupational groups captured by questionnaire were analysed using the Kruskal-Wallis H test. Pairwise post hoc tests were conducted using the Mann-Whitney U test. While the majority of respondents from all three groups perceived nurse prescribing of ionising radiation to be safe, the extent to which this view was held varied. A higher proportion of nurses was found to display confidence in the safety of nurse prescribing of ionising radiation compared to physicians and radiographers with differences between nurses' perceptions and those of the other two groups being statistically significant. That an occupational patterning emerged suggests that perceptions about safety and risk of nurse prescribing of ionising radiation are socially constructed according to the vantage point of the professional and may not reflect objective measures of safety. These findings need to be considered more broadly in the context of ideological barriers to expanding the role of nurses. Copyright © 2016 Elsevier Ltd. All rights reserved.

Cosmic-ray ionisation of dense molecular clouds

NASA Astrophysics Data System (ADS)

Vaupre, Solenn

2015-07-01

Cosmic rays (CR) are of tremendous importance in the dynamical and chemical evolution of interstellar molecular clouds, where stars and planets form. CRs are likely accelerated in the shells of supernova remnants (SNR), thus molecular clouds nearby can be irradiated by intense fluxes of CRs. CR protons have two major effects on dense molecular clouds: 1) when they encounter the dense medium, high-energy protons (>280 MeV) create pions that decay into gamma-rays. This process makes SNR-molecular cloud associations intense GeV and/or TeV sources whose spectra mimic the CR spectrum. 2) at lower energies, CRs penetrate the cloud and ionise the gas, leading to the formation of molecular species characteristic of the presence of CRs, called tracers of the ionisation. Studying these tracers gives information on low-energy CRs that are unaccessible to any other observations. I studied the CR ionisation of molecular clouds next to three SNRs: W28, W51C and W44. These SNRs are known to be interacting with the nearby clouds, from the presence of shocked gas, OH masers and pion-decay induced gamma-ray emission. My work includes millimeter observations and chemical modeling of tracers of the ionisation in these dense molecular clouds. In these three regions, we determined an enhanced CR ionisation rate, supporting the hypothesis of an origin of the CRs in the SNR nearby. The evolution of the CR ionisation rate with the distance to the SNR brings valuable constraints on the propagation properties of low-energy CRs. The method used relies on observations of the molecular ions HCO+ and DCO+, which shows crucial limitations at high ionisation. Therefore, I investigated, both through modeling and observations, the chemical abundances of several other species to try and identity alternative tracers of the ionisation. In particular, in the W44 region, observations of N2H+ bring additional constraints on the physical conditions, volatile abundances in the cloud, and the ionisation state. This research brought valuable insight in to the CR induced chemistry in the interstellar medium. It also brought new perspectives of interdisciplinary research towards the understanding of CRs, from millimeter to gamma-ray observations.

European Code against Cancer 4th Edition: Ionising and non-ionising radiation and cancer.

PubMed

McColl, Neil; Auvinen, Anssi; Kesminiene, Ausrele; Espina, Carolina; Erdmann, Friederike; de Vries, Esther; Greinert, Rüdiger; Harrison, John; Schüz, Joachim

2015-12-01

Ionising radiation can transfer sufficient energy to ionise molecules, and this can lead to chemical changes, including DNA damage in cells. Key evidence for the carcinogenicity of ionising radiation comes from: follow-up studies of the survivors of the atomic bombings in Japan; other epidemiological studies of groups that have been exposed to radiation from medical, occupational or environmental sources; experimental animal studies; and studies of cellular responses to radiation. Considering exposure to environmental ionising radiation, inhalation of naturally occurring radon is the major source of radiation in the population - in doses orders of magnitude higher than those from nuclear power production or nuclear fallout. Indoor exposure to radon and its decay products is an important cause of lung cancer; radon may cause approximately one in ten lung cancers in Europe. Exposures to radon in buildings can be reduced via a three-step process of identifying those with potentially elevated radon levels, measuring radon levels, and reducing exposure by installation of remediation systems. In the 4th Edition of the European Code against Cancer it is therefore recommended to: "Find out if you are exposed to radiation from naturally high radon levels in your home. Take action to reduce high radon levels". Non-ionising types of radiation (those with insufficient energy to ionise molecules) - including extremely low-frequency electric and magnetic fields as well as radiofrequency electromagnetic fields - are not an established cause of cancer and are therefore not addressed in the recommendations to reduce cancer risk. Copyright © 2015 International Agency for Research on Cancer. Published by Elsevier Ltd. All rights reserved.

(π−1) → (π−1), (π−1) emission spectra of chlorofluorobenzene cations in the gaseous phase and their lifetimes in the (0o) states

USGS Publications Warehouse

Maier, John Paul; Marthaler, O.; Mohraz, Manijeh; Shiley, R.H.

1980-01-01

The radiative decay of seventeen electronically excited chlorofluorobenzene cations in the gaseous phase has been detected. The reported emission spectra, which have been obtained using low energy electron beam excitation, are assigned to the B(??-1 ??? X(??-1 electronic transitions of these cations on the basis of their Ne(I) photoelectron spectra. In another sixteen chloroflourobenzene cations, the B ??? X radiative decay could not be detected, from which is inferred that the B states are now associated with Cl 3p(??-1 ionisation processes. The lifetimes of the studied cations in the lowest vibrational levels of the B(??-1 state have been measured. ?? 1980.

Dust cloud evolution in sub-stellar atmospheres via plasma deposition and plasma sputtering

NASA Astrophysics Data System (ADS)

Stark, C. R.; Diver, D. A.

2018-04-01

Context. In contemporary sub-stellar model atmospheres, dust growth occurs through neutral gas-phase surface chemistry. Recently, there has been a growing body of theoretical and observational evidence suggesting that ionisation processes can also occur. As a result, atmospheres are populated by regions composed of plasma, gas and dust, and the consequent influence of plasma processes on dust evolution is enhanced. Aim. This paper aims to introduce a new model of dust growth and destruction in sub-stellar atmospheres via plasma deposition and plasma sputtering. Methods: Using example sub-stellar atmospheres from DRIFT-PHOENIX, we have compared plasma deposition and sputtering timescales to those from neutral gas-phase surface chemistry to ascertain their regimes of influence. We calculated the plasma sputtering yield and discuss the circumstances where plasma sputtering dominates over deposition. Results: Within the highest dust density cloud regions, plasma deposition and sputtering dominates over neutral gas-phase surface chemistry if the degree of ionisation is ≳10-4. Loosely bound grains with surface binding energies of the order of 0.1-1 eV are susceptible to destruction through plasma sputtering for feasible degrees of ionisation and electron temperatures; whereas, strong crystalline grains with binding energies of the order 10 eV are resistant to sputtering. Conclusions: The mathematical framework outlined sets the foundation for the inclusion of plasma deposition and plasma sputtering in global dust cloud formation models of sub-stellar atmospheres.

Characterisation of ionisation chambers for a mixed radiation field and investigation of their suitability as radiation monitors for the LHC.

PubMed

Theis, C; Forkel-Wirth, D; Perrin, D; Roesler, S; Vincke, H

2005-01-01

Monitoring of the radiation environment is one of the key tasks in operating a high-energy accelerator such as the Large Hadron Collider (LHC). The radiation fields consist of neutrons, charged hadrons as well as photons and electrons with energy spectra extending from those of thermal neutrons up to several hundreds of GeV. The requirements for measuring the dose equivalent in such a field are different from standard uses and it is thus necessary to investigate the response of monitoring devices thoroughly before the implementation of a monitoring system can be conducted. For the LHC, it is currently foreseen to install argon- and hydrogen-filled high-pressure ionisation chambers as radiation monitors of mixed fields. So far their response to these fields was poorly understood and, therefore, further investigation was necessary to prove that they can serve their function well enough. In this study, ionisation chambers of type IG5 (Centronic Ltd) were characterised by simulating their response functions by means of detailed FLUKA calculations as well as by calibration measurements for photons and neutrons at fixed energies. The latter results were used to obtain a better understanding and validation of the FLUKA simulations. Tests were also conducted at the CERF facility at CERN in order to compare the results with simulations of the response in a mixed radiation field. It is demonstrated that these detectors can be characterised sufficiently enough to serve their function as radiation monitors for the LHC.

Selective laser ionisation of radionuclide 63Ni

NASA Astrophysics Data System (ADS)

Tsvetkov, G. O.; D'yachkov, A. B.; Gorkunov, A. A.; Labozin, A. V.; Mironov, S. M.; Firsov, V. A.; Panchenko, V. Ya.

2017-02-01

We report a search for a scheme of selective laser stepwise ionisation of radionuclide 63Ni by radiation of a dye laser pumped by a copper vapour laser. A three-stage scheme is found with ionisation through an autoionising state (AIS): 3d 84s2 3F4(E = 0) → 3d 94p 1Fo3(31030.99 cm-1) → 3d 94d 2[7/2]4(49322.56 cm-1) → AIS(67707.61 cm-1) which, by employing saturated radiation intensities provides the ionisation selectivity of above 1200 for 63Ni.

Peter J Derrick and the Grand Scale 'Magnificent Mass Machine' mass spectrometer at Warwick.

PubMed

Colburn, A W; Derrick, Peter J; Bowen, Richard D

2017-12-01

The value of the Grand Scale 'Magnificent Mass Machine' mass spectrometer in investigating the reactivity of ions in the gas phase is illustrated by a brief analysis of previously unpublished work on metastable ionised n-pentyl methyl ether, which loses predominantly methanol and an ethyl radical, with very minor contributions for elimination of ethane and water. Expulsion of an ethyl radical is interpreted in terms of isomerisation to ionised 3-pentyl methyl ether, via distonic ions and, possibly, an ion-neutral complex comprising ionised ethylcyclopropane and methanol. This explanation is consistent with the closely similar behaviour of the labelled analogues, C 3 H 7 CH 2 CD 2 OCH 3 +. and C 3 H 7 CD 2 CH 2 OCH 3 +. , and is supported by the greater kinetic energy release associated with loss of ethane from ionised n-propyl methyl ether compared to that starting from directly generated ionised 3-pentyl methyl ether.

Gamma radiation-induced blue shift of resonance peaks of Bragg gratings in pure silica fibres

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

Faustov, A V; Mégret, P; Wuilpart, M

2016-02-28

We report the first observation of a significant gamma radiation-induced blue shift of the reflection/transmission peak of fibre Bragg gratings inscribed into pure-silica core fibres via multiphoton absorption of femtosecond pulses. At a total dose of ∼100 kGy, the shift is ∼20 pm. The observed effect is attributable to the ionising radiation-induced decrease in the density of the silica glass when the rate of colour centre formation is slow. We present results of experimental measurements that provide the key parameters of the dynamics of the gratings for remote dosimetry and temperature sensing. (laser crystals and braggg ratings)

Non-equilibrium calculations of atmospheric processes initiated by electron impact.

NASA Astrophysics Data System (ADS)

Campbell, L.; Brunger, M. J.

2007-05-01

Electron impact in the atmosphere produces ionisation, dissociation, electronic excitation and vibrational excitation of atoms and molecules. The products can then take part in chemical reactions, recombination with electrons, or radiative or collisional deactivation. While most such processes are fast, some longer--lived species do not reach equilibrium. The electron source (photoelectrons or auroral electrons) also varies over time and longer-lived species can move substantially in altitude by molecular, ambipolar or eddy diffusion. Hence non-equilibrium calculations are required in some circumstances. Such time-step calculations need to have sufficiently short steps so that the fastest processes are still calculated correctly, but this can lead to computation times that are too large. Hence techniques to allow for longer time steps by incorporating equilibrium calculations are described. Examples are given for results of atmospheric non-equilibrium calculations, including the populations of the vibrational levels of ground state N2, the electron density and its dependence on vibrationally excited N2, predictions of nitric oxide density, and detailed processes during short duration auroral events.

Theoretical study on the electronic structures and phosphorescent properties of four Ir(III) complexes with different substituents on the ancillary ligand

NASA Astrophysics Data System (ADS)

Han, Deming; Shang, Xiaohong; Zhang, Gang; Zhao, Lihui

2013-12-01

The geometry structures, electronic structures, absorption and phosphorescent properties of four Ir(III) complexes {[(F2-ppy)2Ir(pta-X)], where F2-ppy = (2,4-difluoro)phenylpyridine; pta = pyridine-1,2,4-triazole; X = -CF3; -H; -CH3; -N(CH3)2}, are investigated using the density functional method. The results reveal that the electron-accepting group -CF3 has no obvious effect on absorption and emission properties, while the substitutive group -N(CH3)2 with strong electron-donating ability has obvious effect on the emission properties. The mobility of hole and electron were studied computationally based on the Marcus-Hush theory. Calculations of ionisation potential and electron affinity were used to evaluate the injection abilities of holes and electrons into these complexes. We hope that this theoretical work can provide a suitable guide to the future design and synthesis of novel phosphorescent materials for use in the organic light-emitting diodes.

Strong optical field ionisation of solids

NASA Astrophysics Data System (ADS)

McDonald, C. R.; Ben Taher, A.; Brabec, T.

2017-11-01

Population transfer from the valence to conduction band in the presence of an intense laser field is explored theoretically in semiconductors and dielectrics. Experiments performed on dielectrics exposed to an intense laser field have divulged a population dynamics between valence and conduction band that differs from that observed in semiconductors. Our paper explores two aspects of ionisation in solids. (i) Contemporary ionisation theories do not take account of the coupling between the valence and conduction bands resulting in the absence the dynamic Stark shift. Our single-particle analysis identifies the absence of the dynamic Stark shift as a possible cause for the contrasting ionisation behaviours observed in dielectric and semiconductor materials. The dynamic Stark shift results in an increased bandgap as the laser intensity is increased. This suppresses ionisation to an extent where the main population dynamics results from virtual oscillations in the conduction band population. The dynamic Stark shift mainly affects larger bandgap materials which can be exposed to decidedly higher laser intensities. (ii) In the presence of laser dressed virtual population of the conduction band, elastic collisions potentially transmute virtual into real population resulting in ionisation. This process is explored in the context of the relaxation time approximation.

Influence of inelastic collisions with hydrogen atoms on the non-LTE modelling of Ca I and Ca II lines in late-type stars

NASA Astrophysics Data System (ADS)

Mashonkina, L.; Sitnova, T.; Belyaev, A. K.

2017-09-01

We performed the non-local thermodynamic equilibrium (non-LTE, NLTE) calculations for Ca I-II with the updated model atom that includes new quantum-mechanical rate coefficients for Ca I + H I collisions from two recent studies and investigated the accuracy of calcium abundance determinations using the Sun, Procyon, and five metal-poor (MP, -2.6 ≤ [Fe/H] ≤-1.3) stars with well-determined stellar parameters. Including H I collisions substantially reduces over-ionisation of Ca I in the line formation layers compared with the case of pure electronic collisions and thus the NLTE effects on abundances derived from Ca I lines. We show that both collisional recipes lead to very similar NLTE results. As for Ca II, the classical Drawinian rates scaled by SH = 0.1 are still applied. When using the subordinate lines of Ca I and the high-excitation lines of Ca II, NLTE provides the smaller line-to-line scatter compared with the LTE case for each star. For Procyon, NLTE removes a steep trend with line strength among strong Ca I lines seen in LTE and leads to consistent [Ca/H] abundances from the two ionisation stages. In the MP stars, the NLTE abundance from Ca II 8498 Å agrees well with the abundance from the Ca I subordinate lines, in contrast to LTE, where the abundance difference grows towards lower metallicity and reaches 0.46 dex in BD -13°3442 ([Fe/H] = -2.62). NLTE largely removes abundance discrepancies between the high-excitation lines of Ca II and Ca II 8498 Å obtained for our four [Fe/H] < -2 stars under the LTE assumption. We investigated the formation of the Ca I resonance line in the [Fe/H] < -2 stars. When the calcium abundance varies between [Ca/H] ≃ -1.8 and -2.3, photon loss in the resonance line itself in the uppermost atmospheric layers drives the strengthening of the line core compared with the LTE case, and this effect prevails over the weakening of the line wings, resulting in negative NLTE abundance correction and underestimation of the abundance derived from Ca I 4226 Å compared with that from the subordinate lines, by 0.08 to 0.32 dex. This problem may be related to the use of classical homogeneous (1D) model atmospheres. The situation is improved when the calcium abundance decreases and the Ca I 4226 Å line formation depths are shifted into deep atmospheric layers that are dominated by over-ionisation of Ca I. However, the departures from LTE are still underestimated for Ca I 4226 Å at [Ca/H] ≃ -4.4 (HE 0557-4840). Consistent NLTE abundances from the Ca I resonance line and the Ca II lines are found for HE 0107-5240 and HE 1327-2326 with [Ca/H] ≤-5. Thus, the Ca I/Ca II ionisation equilibrium method can successfully be applied to determine surface gravities of [Ca/H] ≾ -5 stars. We provide the NLTE abundance corrections for 28 lines of Ca I in a grid of model atmospheres with 5000 K ≤ Teff ≤ 6500 K, 2.5 ≤ log g ≤ 4.5, -4 ≤ [Fe/H] ≤ 0, which is suitable for abundance analysis of FGK-type dwarfs and subgiants.

Reactions of the ionized enol tautomer of acetanilide: elimination of HNCO via a novel rearrangement.

PubMed

Heydorn, Lisa N; Carter, Lynn M; Bowen, Richard D; Terlouw, Johan K

2003-01-01

The reactions of ionised acetanilide, C(6)H(5)NH(=O)CH(3)(.+), and its enol, C(6)H(5)NH(OH)=CH(2)(.+), have been studied by a combination of tandem mass spectrometric and computational methods. These two isomeric radical cations have distinct chemistries at low internal energies. The keto tautomer eliminates exclusively CH(2)=C=O to give ionised aniline. In contrast, the enol tautomer loses H-N=C=O, via an unusual skeletal rearrangement, to form predominantly ionised methylene cyclohexadiene. Hydrogen atom loss also occurs from the enol tautomer, with the formation of protonated oxindole. The mechanisms for H-N=C=O and hydrogen atom loss both involve cyclisation; the former proceeds via a spiro transition state formed by attachment of the methylene group to the ipso position, whereas the latter entails the formation of a five-membered ring by attachment to the ortho position. The behaviour of labelled analogues reveals that these two processes have different site selectivities. Hydrogen atom loss involves a reverse critical energy and is subject to an isotope effect. Surprisingly, attempts to promote the enolisation of ionised acetanilide by proton-transport catalysis were unsuccessful. In a reversal of the usual situation for ionised carbonyl compounds, ionised acetanilide is actually more stable than its enol tautomer. The enol tautomer was resistant to proton-transport catalysed ketonisation to ionised acetanilide, possibly because the favoured geometry of the encounter complex with the base molecule is inappropriate for facilitating tautomerisation.

Electron capture dissociation of polypeptides using a 3 Tesla Fourier transform ion cyclotron resonance mass spectrometer.

PubMed

Polfer, Nicolas C; Haselmann, Kim F; Zubarev, Roman A; Langridge-Smith, Pat R R

2002-01-01

Electron capture dissociation (ECD) of polypeptides has been demonstrated using a commercially available 3 Tesla Fourier transform ion cyclotron resonance (FTICR) instrument. A conventional rhenium filament, designed for high-energy electron impact ionisation, was used to effect ECD of substance P, bee venom melittin and bovine insulin, oxidised B chain. A retarding field analysis of the effective electron kinetic energy distribution entering the ICR cell suggests that one of the most important parameters governing ECD for this particular instrument is the need to employ low trapping plate voltages. This is shown to maximise the abundance of low-energy electrons. The demonstration of ECD at this relatively low magnetic field strength could offer the prospect of more routine ECD analysis for the wider research community, given the reduced cost of such magnets and (at least theoretically) the greater ease of electron/ion cloud overlap at lower field. Copyright 2002 John Wiley & Sons, Ltd.

Radiation safety.

PubMed

Skinner, Sarah

2013-06-01

Diagnostic radiology procedures, such as computed tomography (CT) and X-ray, are an increasing source of ionising radiation exposure to our community. Exposure to ionising radiation is associated with increased risk of malignancy, proportional to the level of exposure. Every diagnostic test using ionising radiation needs to be justified by clinical need. General practitioners need a working knowledge of radiation safety so they can adequately inform their patients of the risks and benefits of diagnostic imaging procedures.

Measurement of air kerma rates for 6- to 7-MeV high-energy gamma-ray field by ionisation chamber and build-up plate.

PubMed

Kowatari, Munehiko; Tanimura, Yoshihiko; Tsutsumi, Masahiro

2014-12-01

The 6- to 7-MeV high-energy gamma-ray calibration field by the (19)F(p, αγ)(16)O reaction is to be served at the Japan Atomic Energy Agency. For the determination of air kerma rates using an ionisation chamber in the 6- to 7-MeV high-energy gamma-ray field, the establishment of the charged particle equilibrium must be achieved during measurement. In addition to measurement of air kerma rates by the ionisation chamber with a thick build-up cap, measurement using the ionisation chamber and a build-up plate (BUP) was attempted, in order to directly determine air kerma rates under the condition of regular calibration for ordinary survey meters and personal dosemeters. Before measurements, Monte Carlo calculations were made to find the optimum arrangement of BUP in front of the ionisation chamber so that the charged particle equilibrium could be well established. Measured results imply that air kerma rates for the 6- to 7-MeV high-energy gamma-ray field could be directly determined under the appropriate condition using an ionisation chamber coupled with build-up materials. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Physical conditions in CaFe interstellar clouds

NASA Astrophysics Data System (ADS)

Gnaciński, P.; Krogulec, M.

2008-01-01

Interstellar clouds that exhibit strong Ca I and Fe I lines are called CaFe clouds. Ionisation equilibrium equations were used to model the column densities of Ca II, Ca I, K I, Na I, Fe I and Ti II in CaFe clouds. We find that the chemical composition of CaFe clouds is solar and that there is no depletion into dust grains. CaFe clouds have high electron densities, n_e≈1 cm-3, that lead to high column densities of neutral Ca and Fe.

Studies for determining thermal ion extraction potential for aluminium plasma generated by electron beam evaporator

NASA Astrophysics Data System (ADS)

Dileep Kumar, V.; Barnwal, Tripti A.; Mukherjee, Jaya; Gantayet, L. M.

2010-02-01

For effective evaporation of refractory metal, electron beam is found to be most suitable vapour generator source. Using electron beam, high throughput laser based purification processes are carried out. But due to highly concentrated electron beam, the vapour gets ionised and these ions lead to dilution of the pure product of laser based separation process. To estimate the concentration of these ions and extraction potential requirement to remove these ions from vapour stream, experiments have been conducted using aluminium as evaporant. The aluminium ingots were placed in water cooled copper crucible. Inserts were used to hold the evaporant, in order to attain higher number density in the vapour processing zone and also for confining the liquid metal. Parametric studies with beam power, number density and extraction potential were conducted. In this paper we discuss the trend of the generation of thermal ions and electrostatic field requirement for extraction.

A reassessment of Galileo radiation exposures in the Jupiter magnetosphere.

PubMed

Atwell, William; Townsend, Lawrence; Miller, Thomas; Campbell, Christina

2005-01-01

Earlier particle experiments in the 1970s on Pioneer-10 and -11 and Voyager-1 and -2 provided Jupiter flyby particle data, which were used by Divine and Garrett to develop the first Jupiter trapped radiation environment model. This model was used to establish a baseline radiation effects design limit for the Galileo onboard electronics. Recently, Garrett et al. have developed an updated Galileo Interim Radiation Environment (GIRE) model based on Galileo electron data. In this paper, we have used the GIRE model to reassess the computed radiation exposures and dose effects for Galileo. The 34-orbit 'as flown' Galileo trajectory data and the updated GIRE model were used to compute the electron and proton spectra for each of the 34 orbits. The total ionisation doses of electrons and protons have been computed based on a parametric shielding configuration, and these results are compared with previously published results.

Ionised gas kinematics in bipolar H II regions

NASA Astrophysics Data System (ADS)

Dalgleish, Hannah S.; Longmore, Steven N.; Peters, Thomas; Henshaw, Jonathan D.; Veitch-Michaelis, Joshua L.; Urquhart, James S.

2018-05-01

Stellar feedback plays a fundamental role in shaping the evolution of galaxies. Here we explore the use of ionised gas kinematics in young, bipolar H II regions as a probe of early feedback in these star-forming environments. We have undertaken a multi-wavelength study of a young, bipolar H II region in the Galactic disc, G316.81-0.06, which lies at the centre of a massive (˜103 M⊙) infrared-dark cloud filament. It is still accreting molecular gas as well as driving a ˜0.2 pc ionised gas outflow perpendicular to the filament. Intriguingly, we observe a large velocity gradient (47.81 ± 3.21 km s-1 pc-1) across the ionised gas in a direction perpendicular to the outflow. This kinematic signature of the ionised gas shows a reasonable correspondence with the simulations of young H II regions. Based on a qualitative comparison between our observations and these simulations, we put forward a possible explanation for the velocity gradients observed in G316.81-0.06. If the velocity gradient perpendicular to the outflow is caused by rotation of the ionised gas, then we infer that this rotation is a direct result of the initial net angular momentum in the natal molecular cloud. If this explanation is correct, this kinematic signature should be common in other young (bipolar) H II regions. We suggest that further quantitative analysis of the ionised gas kinematics of young H II regions, combined with additional simulations, should improve our understanding of feedback at these early stages.

Investigation of the distribution of localised and extended states in amorphous MoOx

NASA Astrophysics Data System (ADS)

Dizayee, Wala; Ying, Minju; Griffin, Jonathan; Alqahtani, Mohammed S.; Buckley, Alastair; Fox, A. Mark; Gehring, Gillian A.

2018-05-01

Amorphous films of MoOx have both structural disorder and also chemical disorder for x<3. We have shown that this disorder can introduce localised states in thin films and have shown that the existence of localised states can be deduced from the XPS data that identifies the relevant occupations of different ionisation states of the Mo ions. This effect, which depends on both the oxygen concentration and the method of fabrication, is more important than electron-electron interactions in producing the observed localisation. We have also shown that magneto-optical dichroism is also a powerful technique to determine the energy distribution of localised and delocalised states.

An improved experimental scheme for simultaneous measurement of high-resolution zero electron kinetic energy (ZEKE) photoelectron and threshold photoion (MATI) spectra

NASA Astrophysics Data System (ADS)

Michels, François; Mazzoni, Federico; Becucci, Maurizio; Müller-Dethlefs, Klaus

2017-10-01

An improved detection scheme is presented for threshold ionization spectroscopy with simultaneous recording of the Zero Electron Kinetic Energy (ZEKE) and Mass Analysed Threshold Ionisation (MATI) signals. The objective is to obtain accurate dissociation energies for larger molecular clusters by simultaneously detecting the fragment and parent ion MATI signals with identical transmission. The scheme preserves an optimal ZEKE spectral resolution together with excellent separation of the spontaneous ion and MATI signals in the time-of-flight mass spectrum. The resulting improvement in sensitivity will allow for the determination of dissociation energies in clusters with substantial mass difference between parent and daughter ions.

Following electron impact excitations of Rn, Ra, Th, U and Pu single atom L sub-shells ionization cross section calculations by using Lotz’s equation

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

Ayinol, M., E-mail: aydinolm@dicle.edu.tr; Aydeniz, D., E-mail: daydeniz@hotmail.com

L shell ionization cross section and L{sub i} subshells ionization cross sections of Rn, Ra, Th, U, Pu atoms calculated. For each of atoms, ten different electron impact energy values (E{sub o}) are used. Calculations carried out by using Lotz equation in Matlab. First, calculations done for non-relativistic case by using non-relativistic Lotz equation then repeated with relativistic Lotz equation. σ{sub L} total and σ{sub Li}(i = 1,2,3) subshells ionisation cross section values obtained for E{sub o} values in the energy range of E{sub Li}

Synthesis, characterisation and DFT studies of three Schiff bases derived from histamine

NASA Astrophysics Data System (ADS)

Touafri, Lasnouni; Hellal, Abdelkader; Chafaa, Salah; Khelifa, Abdellah; Kadri, Abdelaziz.

2017-12-01

In this paper, we report first, the synthesis and characterisation of three Schiff bases derived from histamine by condensation of histamine with various aldehydes. Then, we present a detailed DFT study based on B3LYP/6-31G(d,p) of geometrical structures and electronic properties of these compounds. The study was extended to the HOMO-LUMO analysis to calculate the energy gap (Δ), Ionisation potential (I), Electron Affinity (A), Global Hardness (η), Chemical Potential (μ), Electrophilicity (ω), Electronegativity (χ) and Polarisability (α). The calculated HOMO and LUMO energy reveals that the charge transfers occurring within the molecule. On the basis of vibration analyses, the thermodynamic properties of the titles compound were also calculated.

The role of pyrimidine and water as underlying molecular constituents for describing radiation damage in living tissue: A comparative study

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

Fuss, M. C.; Ellis-Gibbings, L.; Jones, D. B.

Water is often used as the medium for characterizing the effects of radiation on living tissue. However, in this study, charged-particle track simulations are employed to quantify the induced physicochemical and potential biological implications when a primary ionising particle with energy 10 keV strikes a medium made up entirely of water or pyrimidine. Note that pyrimidine was chosen as the DNA/RNA bases cytosine, thymine, and uracil can be considered pyrimidine derivatives. This study aims to assess the influence of the choice of medium on the charged-particle transport, and identify how appropriate it is to use water as the default medium tomore » describe the effects of ionising radiation on living tissue. Based on the respective electron interaction cross sections, we provide a model, which allows the study of radiation effects not only in terms of energy deposition (absorbed dose and stopping power) but also in terms of the number of induced molecular processes. Results of these parameters for water and pyrimidine are presented and compared.« less

Chemical analysis of bleach and hydroxide-based solutions after decontamination of the chemical warfare agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX).

PubMed

Hopkins, F B; Gravett, M R; Self, A J; Wang, M; Chua, Hoe-Chee; Hoe-Chee, C; Lee, H S Nancy; Sim, N Lee Hoi; Jones, J T A; Timperley, C M; Riches, J R

2014-08-01

Detailed chemical analysis of solutions used to decontaminate chemical warfare agents can be used to support verification and forensic attribution. Decontamination solutions are amongst the most difficult matrices for chemical analysis because of their corrosive and potentially emulsion-based nature. Consequently, there are relatively few publications that report their detailed chemical analysis. This paper describes the application of modern analytical techniques to the analysis of decontamination solutions following decontamination of the chemical warfare agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX). We confirm the formation of N,N-diisopropylformamide and N,N-diisopropylamine following decontamination of VX with hypochlorite-based solution, whereas they were not detected in extracts of hydroxide-based decontamination solutions by nuclear magnetic resonance (NMR) spectroscopy or gas chromatography-mass spectrometry. We report the electron ionisation and chemical ionisation mass spectroscopic details, retention indices, and NMR spectra of N,N-diisopropylformamide and N,N-diisopropylamine, as well as analytical methods suitable for their analysis and identification in solvent extracts and decontamination residues.

The VLT-FLAMES Tarantula Survey. XI. A census of the hot luminous stars and their feedback in 30 Doradus

NASA Astrophysics Data System (ADS)

Doran, E. I.; Crowther, P. A.; de Koter, A.; Evans, C. J.; McEvoy, C.; Walborn, N. R.; Bastian, N.; Bestenlehner, J. M.; Gräfener, G.; Herrero, A.; Köhler, K.; Maíz Apellániz, J.; Najarro, F.; Puls, J.; Sana, H.; Schneider, F. R. N.; Taylor, W. D.; van Loon, J. Th.; Vink, J. S.

2013-10-01

Context. The VLT-FLAMES Tarantula Survey has an extensive view of the copious number of massive stars in the 30 Doradus (30 Dor) star forming region of the Large Magellanic Cloud. These stars play a crucial role in our understanding of the stellar feedback in more distant, unresolved star forming regions. Aims: The first comprehensive census of hot luminous stars in 30 Dor is compiled within a 10 arcmin (150 pc) radius of its central cluster, R136. We investigate the stellar content and spectroscopic completeness of the early type stars. Estimates were made for both the integrated ionising luminosity and stellar wind luminosity. These values were used to re-assess the star formation rate (SFR) of the region and determine the ionising photon escape fraction. Methods: Stars were selected photometrically and combined with the latest spectral classifications. Spectral types were estimated for stars lacking spectroscopy and corrections were made for binary systems, where possible. Stellar calibrations were applied to obtain their physical parameters and wind properties. Their integrated properties were then compared to global observations from ultraviolet (UV) to far-infrared (FIR) imaging as well as the population synthesis code, Starburst99. Results: Our census identified 1145 candidate hot luminous stars within 150 pc of R136 of which >700 were considered to be genuine early type stars and contribute to feedback. We assess the survey to be spectroscopically complete to 85% in the outer regions (>5 pc) but only 35% complete in the region of the R136 cluster, giving a total of 500 hot luminous stars in the census which had spectroscopy. Only 31 were found to be Wolf-Rayet (W-R) or Of/WN stars, but their contribution to the integrated ionising luminosity and wind luminosity was ~40% and ~50%, respectively. Similarly, stars with Minit > 100 M⊙ (mostly H-rich WN stars) also showed high contributions to the global feedback, ~25% in both cases. Such massive stars are not accounted for by the current Starburst99 code, which was found to underestimate the integrated ionising luminosity of R136 by a factor ~2 and the wind luminosity by a factor ~9. The census inferred a SFR for 30 Dor of 0.073 ± 0.04 M⊙ yr-1. This was generally higher than that obtained from some popular SFR calibrations but still showed good consistency with the far-UV luminosity tracer as well as the combined Hα and mid-infrared tracer, but only after correcting for Hα extinction. The global ionising output was also found to exceed that measured from the associated gas and dust, suggesting that ~6+55-6 % of the ionising photons escape the region. Conclusions: When studying the most luminous star forming regions, it is essential to include their most massive stars if one is to determine a reliable energy budget. Photon leakage becomes more likely after including their large contributions to the ionising output. If 30 Dor is typical of other massive star forming regions, estimates of the SFR will be underpredicted if this escape fraction is not accounted for. Based on observations collected at the European Southern Observatory under programme ID 182.D-0222.Appendices are available in electronic form at http://www.aanda.orgFull Tables D1 and D2 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/558/A134

Simulations of the temporal and spatial resolution for a compact time-resolved electron diffractometer

NASA Astrophysics Data System (ADS)

Robinson, Matthew S.; Lane, Paul D.; Wann, Derek A.

2016-02-01

A novel compact electron gun for use in time-resolved gas electron diffraction experiments has recently been designed and commissioned. In this paper we present and discuss the extensive simulations that were performed to underpin the design in terms of the spatial and temporal qualities of the pulsed electron beam created by the ionisation of a gold photocathode using a femtosecond laser. The response of the electron pulses to a solenoid lens used to focus the electron beam has also been studied. The simulated results show that focussing the electron beam affects the overall spatial and temporal resolution of the experiment in a variety of ways, and that factors that improve the resolution of one parameter can often have a negative effect on the other. A balance must, therefore, be achieved between spatial and temporal resolution. The optimal experimental time resolution for the apparatus is predicted to be 416 fs for studies of gas-phase species, while the predicted spatial resolution of better than 2 nm-1 compares well with traditional time-averaged electron diffraction set-ups.

Ionised gas structure of 100 kpc in an over-dense region of the galaxy group COSMOS-Gr30 at z 0.7

NASA Astrophysics Data System (ADS)

Epinat, B.; Contini, T.; Finley, H.; Boogaard, L. A.; Guérou, A.; Brinchmann, J.; Carton, D.; Michel-Dansac, L.; Bacon, R.; Cantalupo, S.; Carollo, M.; Hamer, S.; Kollatschny, W.; Krajnović, D.; Marino, R. A.; Richard, J.; Soucail, G.; Weilbacher, P. M.; Wisotzki, L.

2018-01-01

We report the discovery of a 104 kpc2 gaseous structure detected in [O II]λλ3727, 3729 in an over-dense region of the COSMOS-Gr30 galaxy group at z 0.725 with deep MUSE Guaranteed Time Observations. We estimate the total amount of diffuse ionised gas to be of the order of ( 5 ± 3) × 1010 M⊙ and explore its physical properties to understand its origin and the source(s) of the ionisation. The MUSE data allow the identification of a dozen group members that are embedded in this structure through emission and absorption lines. We extracted spectra from small apertures defined for both the diffuse ionised gas and the galaxies. We investigated the kinematics and ionisation properties of the various galaxies and extended gas regions through line diagnostics (R23, O32, and [O III]/Hβ) that are available within the MUSE wavelength range. We compared these diagnostics to photo-ionisation models and shock models. The structure is divided into two kinematically distinct sub-structures. The most extended sub-structure of ionised gas is likely rotating around a massive galaxy and displays filamentary patterns that link some galaxies. The second sub-structure links another massive galaxy that hosts an active galactic nucleus (AGN) to a low-mass galaxy, but it also extends orthogonally to the AGN host disc over 35 kpc. This extent is likely ionised by the AGN itself. The location of small diffuse regions in the R23 vs. O32 diagram is compatible with photo-ionisation. However, the location of three of these regions in this diagram (low O32, high R23) can also be explained by shocks, which is supported by their high velocity dispersions. One edge-on galaxy shares the same properties and may be a source of shocks. Regardless of the hypothesis, the extended gas seems to be non-primordial. We favour a scenario where the gas has been extracted from galaxies by tidal forces and AGN triggered by interactions between at least the two sub-structures. Based on observations made with ESO telescopes at the Paranal Observatory under programs 094.A-0247 and 095.A-0118.

Metabolite signal identification in accurate mass metabolomics data with MZedDB, an interactive m/z annotation tool utilising predicted ionisation behaviour 'rules'

PubMed Central

Draper, John; Enot, David P; Parker, David; Beckmann, Manfred; Snowdon, Stuart; Lin, Wanchang; Zubair, Hassan

2009-01-01

Background Metabolomics experiments using Mass Spectrometry (MS) technology measure the mass to charge ratio (m/z) and intensity of ionised molecules in crude extracts of complex biological samples to generate high dimensional metabolite 'fingerprint' or metabolite 'profile' data. High resolution MS instruments perform routinely with a mass accuracy of < 5 ppm (parts per million) thus providing potentially a direct method for signal putative annotation using databases containing metabolite mass information. Most database interfaces support only simple queries with the default assumption that molecules either gain or lose a single proton when ionised. In reality the annotation process is confounded by the fact that many ionisation products will be not only molecular isotopes but also salt/solvent adducts and neutral loss fragments of original metabolites. This report describes an annotation strategy that will allow searching based on all potential ionisation products predicted to form during electrospray ionisation (ESI). Results Metabolite 'structures' harvested from publicly accessible databases were converted into a common format to generate a comprehensive archive in MZedDB. 'Rules' were derived from chemical information that allowed MZedDB to generate a list of adducts and neutral loss fragments putatively able to form for each structure and calculate, on the fly, the exact molecular weight of every potential ionisation product to provide targets for annotation searches based on accurate mass. We demonstrate that data matrices representing populations of ionisation products generated from different biological matrices contain a large proportion (sometimes > 50%) of molecular isotopes, salt adducts and neutral loss fragments. Correlation analysis of ESI-MS data features confirmed the predicted relationships of m/z signals. An integrated isotope enumerator in MZedDB allowed verification of exact isotopic pattern distributions to corroborate experimental data. Conclusion We conclude that although ultra-high accurate mass instruments provide major insight into the chemical diversity of biological extracts, the facile annotation of a large proportion of signals is not possible by simple, automated query of current databases using computed molecular formulae. Parameterising MZedDB to take into account predicted ionisation behaviour and the biological source of any sample improves greatly both the frequency and accuracy of potential annotation 'hits' in ESI-MS data. PMID:19622150

The effectiveness of photocatalytic ionisation disinfection of filter materials.

PubMed

Pietrzak, Katarzyna; Gutarowska, Beata

2013-01-01

The purpose of this study was to determine the effectiveness of photocatalytic ionisation as a disinfection method for filter materials contaminated by microorganisms, and to assess how air relative humidity (RH), time and microbe type influence the effectiveness of this disinfection. In the quantitative analysis of a used car air filter, bacterial contamination equalled 1.2 x 10(5) cfu/cm2, fungal contamination was 3.8 x 10(6) cfu/cm2, and the isolated microorganisms were Aspergillus niger, Bacillus megaterium, Cladosporium herbarum, Cryptococcus laurenti, Micrococcus sp., Rhodotorula glutinis and Staphylococcus cohnii. In the model experiment, three isolates (C. herbarum, R. glutinis, S. cohnii) and 3 ATCC species (A. niger, E. coli, S. aureus) were used for photocatalytic ionisation disinfection. The conditions of effective photocatalytic ionisation disinfection (R > or = 99.9%) were established as 2-3 h at RH = 77% (bacteria) and 6-24 h at RH = 53% (fungi). RH has an influence on the effectiveness of the photocatalytic disinfection process; the highest effectiveness was obtained for bacteria at RH = 77%, with results 5% higher than for RH = 49%. The studies show that the sensitivity of microorganisms to photocatalytic ionisation disinfection is ordered as follows: Gram-positive bacteria (S. cohnii, S. aureus), Gram-negative bacteria (E. coli), yeasts (R. glutinis), and moulds (C. herbarum, A. niger). Of all the mathematical models used for the description of death dynamics after photocatalytic ionisation disinfection, the Chick-Watson model is the most useful, but for more resistant microorganisms, the delayed Chick-Watson model is highly recommended. It therefore seems, that the presented disinfection method of photocatalytic ionisation can be successfully used to clean filtration materials.

Medical exposure to ionising radiation and the risk of brain tumours: Interphone study group, Germany.

PubMed

Blettner, Maria; Schlehofer, Brigitte; Samkange-Zeeb, Florence; Berg, Gabriele; Schlaefer, Klaus; Schüz, Joachim

2007-09-01

The role of exposure to low doses of ionising radiation in the aetiology of brain tumours has yet to be clarified. The objective of this study was to investigate the association between medically or occupationally related exposure to ionising radiation and brain tumours. We used self-reported medical and occupational data collected during the German part of a multinational case-control study on mobile phone use and the risk of brain tumours (Interphone study) for the analyses. For any exposure to medical ionising radiation we found odds ratios (ORs) of 0.63 (95% confidence interval (CI)=0.48-0.83), 1.08 (95% CI=0.80-1.45) and 0.97 (95% CI=0.54-1.75) for glioma, meningioma and acoustic neuroma, respectively. Elevated ORs were found for meningioma (OR 2.32, 95% CI: 0.90-5.96) and acoustic neuroma (OR 6.45, 95% CI: 0.62-67.16) for radiotherapy to the head and neck regions. We did not find any significant increased risk of brain tumours for exposure to medical ionising radiation.

Investigation of colloidal graphite as a matrix for matrix-assisted laser desorption/ionisation mass spectrometry of low molecular weight analytes.

PubMed

Warren, Alexander D; Conway, Ulric; Arthur, Christopher J; Gates, Paul J

2016-07-01

The analysis of low molecular weight compounds by matrix-assisted laser desorption/ionisation mass spectrometry is problematic due to the interference and suppression of analyte ionisation by the matrices typically employed - which are themselves low molecular weight compounds. The application of colloidal graphite is demonstrated here as an easy to use matrix that can promote the ionisation of a wide range of analytes including low molecular weight organic compounds, complex natural products and inorganic complexes. Analyte ionisation with colloidal graphite is compared with traditional organic matrices along with various other sources of graphite (e.g. graphite rods and charcoal pencils). Factors such as ease of application, spectra reproducibility, spot longevity, spot-to-spot reproducibility and spot homogeneity (through single spot imaging) are explored. For some analytes, considerable matrix suppression effects are observed resulting in spectra completely devoid of matrix ions. We also report the observation of radical molecular ions [M(-●) ] in the negative ion mode, particularly with some aromatic analytes. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Identification of carbohydrates by matrix-free material-enhanced laser desorption/ionisation mass spectrometry.

PubMed

Hashir, Muhammad Ahsan; Stecher, Guenther; Bakry, Rania; Kasemsook, Saowapak; Blassnig, Bernhard; Feuerstein, Isabel; Abel, Gudrun; Popp, Michael; Bobleter, Ortwin; Bonn, Guenther K

2007-01-01

Matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry (MALDI-TOF-MS) is a sensitive mass spectrometric technique which utilises acidic materials as matrices for laser energy absorption, desorption and ionisation of analytes. These matrix materials produce background signals particularly in the low-mass range and make the detection and identification of small molecules difficult and nearly impossible. To overcome this problem this paper introduces matrix-free material-enhanced laser desorption/ionisation mass spectrometry (mf-MELDI-MS) for the screening and analysis of small molecules such as carbohydrates. For this purpose, 4,4'-azo-dianiline was immobilised on silica gel enabling the absorption of laser energy sufficient for successful desorption and ionisation of low molecular weight compounds. The particle and pore sizes, the solvent system for suspension and the sample preparation procedures have been optimised. The newly synthesised MELDI material delivered excellent spectra with regard to signal-to-noise ratio and detection sensitivity. Finally, wheat straw degradation products and Salix alba L. plant extracts were analysed proving the high performance and excellent behaviour of the introduced material. Copyright (c) 2007 John Wiley & Sons, Ltd.

Dynamics of Re(2,2'-bipyridine)(CO)3Cl MLCT formation and decay after picosecond pulsed X-ray excitation and femtosecond UV excitation.

PubMed

Zhao, Liyan; Odaka, Hideho; Ono, Hiroshi; Kajimoto, Shinji; Hatanaka, Koji; Hobley, Jonathan; Fukumura, Hiroshi

2005-01-01

The dynamics of Re(2,2'-bipyridine)(CO)3Cl MLCT state formation and decay were determined after femtosecond UV laser excitation and picosecond pulsed X-ray excitation, in an N,N-dimethylformamide (DMF) solution as well as in its solid form. At room temperature, after UV excitation, this MLCT excited state emits both in DMF solution and in the solid form. Transient absorption spectra were measured in solution at various delay times following excitation by a 160 fs, 390 nm laser pulse. There was a prompt absorption increase at around 460 nm occurring within the pump probe convolution (<1 ps), which was assigned to the formation of the 3MLCT state. This transient absorbance was constant over 100 ps. In contrast to the solution state, in the solid state, the emission maximum slightly red-shifts with increasing time after laser excitation. In both solid and solution the emission rises within the system response time. The solid sample exhibited a 1.4 ns emission decay that was not observed for the solution sample. The emission rise from a solid sample after 20 ps pulsed X-ray excitation was significantly slower than the system's time resolution. It is proposed that kinetically energetic electrons are ejected following X-ray induced ionisation, creating ionised tracks in which energetic cations and electrons take time to recombine yielding delayed 3MLCT states that emit.

N-deethylation and N-oxidation of etamiphylline: identification of etamiphylline-N-oxide in greyhound urine by high performance liquid chromatography-mass spectrometry.

PubMed

Dumasia, M C; Teale, P

2005-01-04

Millophyline-V, (etamiphylline camsylate) was administered intramuscularly to two racing greyhounds at a dose of 10 mg kg(-1). Unhydrolysed pre- and post-administration urine samples were extracted using mixed mode solid phase extraction (SPE) cartridges, the basic isolates derivatised as trimethylsilyl ethers and analysed by positive ion electron ionisation gas chromatography-mass spectrometry (GC/EI+/MS). The parent drug and one metabolite, N-desethyletamiphylline, were detected in urine for up to 72 h. For semi-quantification, urine samples were extracted on-line using a Prospekt sample handler. The analytes retained on the C2 SPE cartridge were eluted by the mobile phase directly on to the analytical high performance liquid chromatography column and analysed by positive ion atmospheric pressure chemical ionisation (LC/APCI+) MS in the multiple selective-ion recording mode. A major peak containing both ions (m/z) 280 and (m/z) 252 was observed. Full scan LC/APCI+/MS of the unknown indicated that the ion at (m/z) 280 was formed by the loss of an oxygen atom [MH+ -->(MH+-O)]. Samples were analysed by positive ion electrospray ionisation LC/MS on two different instruments and the unknown compound was identified as an N-oxide of the tert. nitrogen atom of the 2-(diethylamino)ethyl substituent on N7 of the theophylline nucleus. This compound has not been reported previously either as an in vivo or in vitro metabolite of etamiphylline in any species. Thermal decomposition of the N-oxide could lead to an increase the detection period of the parent drug during routine GC/MS screening of post-competition greyhound urine samples.

Radiated Power and Impurity Concentrations in the EXTRAP-T2R Reversed-Field Pinch

NASA Astrophysics Data System (ADS)

Corre, Y.; Rachlew, E.; Cecconello, M.; Gravestijn, R. M.; Hedqvist, A.; Pégourié, B.; Schunke, B.; Stancalie, V.

2005-01-01

A numerical and experimental study of the impurity concentration and radiation in the EXTRAP-T2R device is reported. The experimental setup consists of an 8-chord bolometer system providing the plasma radiated power and a vacuum-ultraviolet spectrometer providing information on the plasma impurity content. The plasma emissivity profile as measured by the bolometric system is peaked in the plasma centre. A one dimensional Onion Skin Collisional-Radiative model (OSCR) has been developed to compute the density and radiation distributions of the main impurities. The observed centrally peaked emissivity profile can be reproduced by OSCR simulations only if finite particle confinement time and charge-exchange processes between plasma impurities and neutral hydrogen are taken into account. The neutral hydrogen density profile is computed with a recycling code. Simulations show that recycling on metal first wall such as in EXTRAP-T2R (stainless steel vacuum vessel and molybdenum limiters) is compatible with a rather high neutral hydrogen density in the plasma centre. Assuming an impurity concentration of 10% for oxygen and 3% for carbon compared with the electron density, the OSCR calculation including lines and continuum emission reproduces about 60% of the total radiated power with a similarly centrally peaked emissivity profile. The centrally peaked emissivity profile is due to low ionisation stages and strongly radiating species in the plasma core, mainly O4+ (Be-like) and C3+ Li-like.

Structure and dynamics of the umagnetized plasma around comet 67P/CG

NASA Astrophysics Data System (ADS)

Henri, P.; Vallières, X.; Gilet, N.; Hajra, R.; Moré, J.; Goetz, C.; Richter, I.; Glassmeier, K. H.; Galand, M. F.; Heritier, K. L.; Eriksson, A. I.; Nemeth, Z.; Tsurutani, B.; Rubin, M.; Altwegg, K.

2016-12-01

At distances close enough to the Sun, when comets are characterised by a significant outgassing, the cometary neutral density may become large enough for both the cometary plasma and the cometary gas to be coupled, through ion-neutral and electron-neutral collisions. This coupling enables the formation of an unmagnetised expanding cometary ionosphere around the comet nucleus, also called diamagnetic cavity, within which the solar wind magnetic field cannot penetrate. The instruments of the Rosetta Plasma Consortium (RPC), onboard the Rosetta Orbiter, enable us to better constrain the structure, dynamics and stability of the plasma around comet 67P/CG. Recently, magnetic field measurements (RPC-MAG) have shown the existence of such a diamagnetic region around comet 67P/CG [Götz et al., 2016]. Contrary to a single, large scale, diamagnetic cavity such as what was observed around comet Halley, Rosetta have crossed several diamagnetic structures along its trajectory around comet 67P/CG. Using electron density measurements from the Mutual Impedance Probe (RPC-MIP) during the different diamagnetic cavity crossings, identified by the flux gate magnetometer (RPC-MAG), we map the unmagnetised plasma density around comet 67P/CG. Our aims is to better constrain the structure, dynamics and stability of this inner cometary plasma layer characterised by cold electrons (as witnessed by the Langmuir Probes RPC-LAP). The ionisation ratio in these unmagnetised region(s) is computed from the measured electron (RPC-MIP) and neutral gas (ROSINA/COPS) densities. In order to assess the importance of solar EUV radiation as a source of ionisation, the observed electron density will be compared to a the density expected from an ionospheric model taking into account solar radiation absorption. The crossings of diamagnetic region(s) by Rosetta show that the unmagnetised cometary plasma is particularly homogeneous, compared to the highly dynamical magnetised plasma observed in adjacent magnetised regions. Moreover, during the crossings of multiple, successive diamagnetic region(s) over time scales of tens of minutes or hours, the plasma density is almost identical in the different unmagnetised regions, suggesting that these unmagnetised regions may be a single diamagnetic structure crossed several times by Rosetta.

Convergent close-coupling approach to positron scattering on He+★

NASA Astrophysics Data System (ADS)

Rawlins, Charlie M.; Kadyrov, Alisher S.; Bray, Igor

2018-05-01

A close-coupling method is used to generate electron-loss and total scattering cross sections for the first three partial waves with both a single-centre and two-centre expansion of the scattering wave function for positron scattering on He +. The two expansions are consistent with each other above the ionisation threshold verifying newly-developed positronium-formation matrix elements. Below the positronium-formation threshold both the single- and two-centre results agree with the elastic-scattering cross sections generated from the phase shifts reported in previous calculations.

DFT/TDDFT investigation on the photophysical properties of a series of phosphorescent cyclometalated complexes based on the benchmark complex FIrpic

NASA Astrophysics Data System (ADS)

Han, Deming; Gong, Ping; Lv, Shuhui; Zhao, Lihui; Zhao, Henan

2018-05-01

The photophysical properties of four Ir(III) complexes have been investigated by means of the density functional theory/time-dependent density functional theory (DFT/TDDFT). The effect of the electron-withdrawing and electron-donating substituents on charge injection, transport, absorption and phosphorescent properties has been studied. The theoretical calculation shows that the lowest-lying singlet absorptions for complexes 1-4 are located at 387, 385, 418 and 386 nm, respectively. For 1-4, the phosphorescence at 465, 485, 494 and 478 nm is mainly attributed to the LUMO → HOMO and LUMO → HOMO-1 transition configurations characteristics. In addition, ionisation potential (IP), electron affinities (EAs) and reorganisation energy have been investigated to evaluate the charge transfer and balance properties between hole and electron. The balance of the reorganisation energies for complex 3 is better than others. The difference between hole transport and electron transport for complex 3 is the smallest among these complexes, which is beneficial to achieve the hole and electron transfer balance in emitting layer.

Quantum coherence in photo-ionisation with tailored XUV pulses

NASA Astrophysics Data System (ADS)

Carlström, Stefanos; Mauritsson, Johan; Schafer, Kenneth J.; L'Huillier, Anne; Gisselbrecht, Mathieu

2018-01-01

Ionisation with ultrashort pulses in the extreme ultraviolet (XUV) regime can be used to prepare an ion in a superposition of spin-orbit substates. In this work, we study the coherence properties of such a superposition, created by ionising xenon atoms using two phase-locked XUV pulses at different frequencies. In general, if the duration of the driving pulse exceeds the quantum beat period, dephasing will occur. If however, the frequency difference of the two pulses matches the spin-orbit splitting, the coherence can be efficiently increased and dephasing does not occur.

Roos and NACP-02 ion chamber perturbations and water-air stopping-power ratios for clinical electron beams for energies from 4 to 22 MeV

NASA Astrophysics Data System (ADS)

Bailey, M.; Shipley, D. R.; Manning, J. W.

2015-02-01

Empirical fits are developed for depth-compensated wall- and cavity-replacement perturbations in the PTW Roos 34001 and IBA / Scanditronix NACP-02 parallel-plate ionisation chambers, for electron beam qualities from 4 to 22 MeV for depths up to approximately 1.1 × R50,D. These are based on calculations using the Monte Carlo radiation transport code EGSnrc and its user codes with a full simulation of the linac treatment head modelled using BEAMnrc. These fits are used with calculated restricted stopping-power ratios between air and water to match measured depth-dose distributions in water from an Elekta Synergy clinical linear accelerator at the UK National Physical Laboratory. Results compare well with those from recent publications and from the IPEM 2003 electron beam radiotherapy Code of Practice.

Concentration-dependent effect of hypocalcaemia on in vitro clot strength in patients at risk of bleeding: a retrospective cohort study.

PubMed

Ho, K M; Yip, C B

2016-02-01

It is uncertain whether hypocalcaemia is associated with an increased risk of bleeding. This study assessed the dose-related relationship between ionised calcium concentrations and in vitro clot strength measured by maximum amplitude (MA) on the thromboelastograph (TEG). A total of 610 patients who were at risk of bleeding or had active bleeding between 2010 and 2014 were considered in this retrospective cohort study. A scatter plot with Pearson correlation coefficient (r) and multiple linear regression was used to assess the dose-related relationship between ionised calcium concentrations and MA on the TEG. The mean ionised calcium of the patients was 1·10 mmol L(-1) (interquartile range: 1·04-1·17) and 235 (38·5%) of them had hypocalcaemia (<1·1 mmol L(-1) ). Hypocalcaemia was more common in patients with significant coexisting coagulopathy. Ionised calcium concentrations (r = 0·285, 95% confidence interval (CI) 0·211-0·356, P = 0·001), as well as fibrinogen concentrations, platelet counts, international normalised ratio (INR) and activated Partial Thromboplastin Time (aPTT), had a significant linear correlation with the MA on the TEG. Ionised calcium concentrations and its interaction term with platelet count were both significantly associated with the MA on the TEG (slope of the regression line 1·1 per 0·1 mmol L(-1) increment, 95%CI 0·3 to 1·9, P = 0·011), after adjusting for fibrinogen concentrations, platelet counts, INR and aPTT. Ionised calcium concentrations had a concentration-dependent association with in vitro clot strength after adjusting for other coagulation abnormalities in patients with coexisting coagulopathy. Maintaining a normal ionised calcium concentration, >1 mmol L(-1) , during critical bleeding is recommended. © 2016 British Blood Transfusion Society.

Covariance mapping techniques

NASA Astrophysics Data System (ADS)

Frasinski, Leszek J.

2016-08-01

Recent technological advances in the generation of intense femtosecond pulses have made covariance mapping an attractive analytical technique. The laser pulses available are so intense that often thousands of ionisation and Coulomb explosion events will occur within each pulse. To understand the physics of these processes the photoelectrons and photoions need to be correlated, and covariance mapping is well suited for operating at the high counting rates of these laser sources. Partial covariance is particularly useful in experiments with x-ray free electron lasers, because it is capable of suppressing pulse fluctuation effects. A variety of covariance mapping methods is described: simple, partial (single- and multi-parameter), sliced, contingent and multi-dimensional. The relationship to coincidence techniques is discussed. Covariance mapping has been used in many areas of science and technology: inner-shell excitation and Auger decay, multiphoton and multielectron ionisation, time-of-flight and angle-resolved spectrometry, infrared spectroscopy, nuclear magnetic resonance imaging, stimulated Raman scattering, directional gamma ray sensing, welding diagnostics and brain connectivity studies (connectomics). This review gives practical advice for implementing the technique and interpreting the results, including its limitations and instrumental constraints. It also summarises recent theoretical studies, highlights unsolved problems and outlines a personal view on the most promising research directions.

2d axisymmetric "beam-bulk" modelling of the generation of runaway electrons by streamers.

NASA Astrophysics Data System (ADS)

Chanrion, Olivier; Bonaventura, Zdenek; Bourdon, Anne; Neubert, Torsten

2017-04-01

We present results from a 2d axisymmetric numerical model of streamers based on a "beam-bulk" approach which describes cold electrons with a fluid model and high energy electrons with a particle model. The interest is motivated by the generation of runaway electrons by streamers which may participate in the recently observed TGFs and which challenge the modelling. Runaway electrons are known to be generated from streamers when the electric field in its negative tip is of sufficient magnitude. After overtaking the streamer tip, runaways can affect the streamer propagation ahead and may produce high energy photons through the bremsstrahlung process. In conventional model of streamers, the evolution of the streamer discharge is mostly governed by cold electrons. By including runaway electrons, we model their production, their impact on the discharge propagation and can address their role in TGFs. Results of streamer propagation in leader electric field show that the runaway electrons accelerate the streamers, reduce the electric field in its tip and enlarge its radius by pre-ionizing the gas ahead. We observed that if we increase the electric field, the discharge is getting more diffuse, with a pattern driven by the increase in runaway induced ionisation.

Ionising radiation risk disclosure: When should radiographers assume a duty to inform?

PubMed

Younger, C W E; Douglas, C; Warren-Forward, H

2018-05-01

Autonomy is a fundamental patient right for ethical practice, and informed consent is the mechanism by which health care professionals ensure this right has been respected. The ethical notion of informed consent has evolved alongside legal developments. Under Australian law, a provider who fails to disclose risk may be found to be in breach of a duty of disclosure, potentially facing legal consequences if the patient experiences harm that is attributable to an undisclosed risk. These consequences may include the common law tort of negligence. Ionising radiation, in the form of a medical imaging examination, has the potential to cause harm. However, stochastic effects cannot be attributable to a specific ionising radiation event. What then is the role of the Australian medical imaging service provider in disclosing ionising radiation risk? The ethical and legal principles of informed consent, and the duty of information provision to the patient are investigated. These general principles are then applied to the specific and unusual case of ionising radiation, and what responsibilities apply to the medical imaging provider. Finally, the legal, professional and ethical duties of the radiographer to disclose information to their patients are investigated. Australian law is unclear as to whether a radiographer has a common law responsibility to disclose radiation risk. There is ambiguity as to whether stochastic ionising radiation risk could be considered a legal disclosure responsibility. While it is unlikely that not disclosing risk will have medicolegal consequences, doing so represents sound ethical practice. Copyright © 2017 The College of Radiographers. Published by Elsevier Ltd. All rights reserved.

MUSE discovers perpendicular arcs in the inner filament of Centaurus A

NASA Astrophysics Data System (ADS)

Hamer, S.; Salomé, P.; Combes, F.; Salomé, Q.

2015-03-01

Context. Evidence of active galactic nuclei (AGN) interaction with the intergalactic medium is observed in some galaxies and many cool core clusters. Radio jets are suspected to dig large cavities into the surrounding gas. In most cases, very large optical filaments (several kpc) are also seen all around the central galaxy. The origin of these filaments is still not understood. Star-forming regions are sometimes observed inside the filaments and are interpreted as evidence of positive feedback (AGN-triggered star formation). Aims: Centaurus A is a very nearby galaxy with huge optical filaments aligned with the AGN radio-jet direction. Here, we searched for line ratio variations along the filaments, kinematic evidence of shock-broadend line widths, and large-scale dynamical structures. Methods: We observed a 1' × 1' region around the so-called inner filament of Cen A with the Multi Unit Spectroscopic Explorer (MUSE) on the Very Large Telescope (VLT) during the Science Verification period. Results: (i) The brightest lines detected are the Hαλ6562.8, [NII]λ6583, [OIII]λ4959+5007 and [SII]λ6716+6731. MUSE shows that the filaments are made of clumpy structures inside a more diffuse medium aligned with the radio-jet axis. We find evidence of shocked shells surrounding the star-forming clumps from the line profiles, suggesting that the star formation is induced by shocks. The clump line ratios are best explained by a composite of shocks and star formation illuminated by a radiation cone from the AGN. (ii) We also report a previously undetected large arc-like structure: three streams running perpendicular to the main filament; they are kinematically, morphologically, and excitationally distinct. The clear difference in the excitation of the arcs and clumps suggests that the arcs are very likely located outside of the radiation cone and match the position of the filament only in projection. The three arcs are thus most consistent with neutral material swept along by a backflow of the jet plasma from the AGN outburst that is ionised through a difuse radiation field with a low-ionisation parameter that continues to excite gas away from the radiation cone. Appendices are available in electronic form at http://www.aanda.org

The influence of non-ionisable excipients on precipitation parameters measured using the CheqSol method.

PubMed

Etherson, Kelly; Halbert, Gavin; Elliott, Moira

2016-09-01

The aim of this study was to determine the influence of non-ionisable excipients hydroxypropyl-β-cyclodextrin (HPβCD) and poloxamers 407 and 188 on the supersaturation and precipitation kinetics of ibuprofen, gliclazide, propranolol and atenolol induced through solution pH shifts using the CheqSol method. The drug's kinetic and intrinsic aqueous solubilities were measured in the presence of increasing excipient concentrations using the CheqSol method. Experimental data rate of change of pH with time was also examined to determine excipient-induced parachute effects and influence on precipitation rates. The measured kinetic and intrinsic solubilities provide a determination of the influence of each excipient on supersaturation index, and the area under the CheqSol curve can measure the parachute capability of excipients. The excipients influence on precipitation kinetics can be measured with novel parameters; for example, the precipitation pH or percentage ionised drug at the precipitation point, which provide further information on the excipient-induced changes in precipitation performance. This method can therefore be employed to measure the influence of non-ionisable excipients on the kinetic solubility behaviour of supersaturated solutions of ionisable drugs and to provide data, which discriminates between excipient systems during precipitation. © 2016 Royal Pharmaceutical Society.

Using quantum dynamics simulations to follow the competition between charge migration and charge transfer in polyatomic molecules

NASA Astrophysics Data System (ADS)

Spinlove, K. E.; Vacher, M.; Bearpark, M.; Robb, M. A.; Worth, G. A.

2017-01-01

Recent work, particularly by Cederbaum and co-workers, has identified the phenomenon of charge migration, whereby charge flow occurs over a static molecular framework after the creation of an electronic wavepacket. In a real molecule, this charge migration competes with charge transfer, whereby the nuclear motion also results in the re-distribution of charge. To study this competition, quantum dynamics simulations need to be performed. To break the exponential scaling of standard grid-based algorithms, approximate methods need to be developed that are efficient yet able to follow the coupled electronic-nuclear motion of these systems. Using a simple model Hamiltonian based on the ionisation of the allene molecule, the performance of different methods based on Gaussian Wavepackets is demonstrated.

Solvation and Evolution Dynamics of an Excess Electron in Supercritical CO2

NASA Astrophysics Data System (ADS)

Wang, Zhiping; Liu, Jinxiang; Zhang, Meng; Cukier, Robert I.; Bu, Yuxiang

2012-05-01

We present an ab initio molecular dynamics simulation of the dynamics of an excess electron solvated in supercritical CO2. The excess electron can exist in three types of states: CO2-core localized, dual-core localized, and diffuse states. All these states undergo continuous state conversions via a combination of long lasting breathing oscillations and core switching, as also characterized by highly cooperative oscillations of the excess electron volume and vertical detachment energy. All of these oscillations exhibit a strong correlation with the electron-impacted bending vibration of the core CO2, and the core-switching is controlled by thermal fluctuations.

Observation of hole accumulation in Ge/Si core/shell nanowires using off-axis electron holography.

PubMed

Li, Luying; Smith, David J; Dailey, Eric; Madras, Prashanth; Drucker, Jeff; McCartney, Martha R

2011-02-09

Hole accumulation in Ge/Si core/shell nanowires (NWs) has been observed and quantified using off-axis electron holography and other electron microscopy techniques. The epitaxial [110]-oriented Ge/Si core/shell NWs were grown on Si (111) substrates by chemical vapor deposition through the vapor-liquid-solid growth mechanism. High-angle annular-dark-field scanning transmission electron microscopy images and off-axis electron holograms were obtained from specific NWs. The excess phase shifts measured by electron holography across the NWs indicated the presence of holes inside the Ge cores. Calculations based on a simplified coaxial cylindrical model gave hole densities of (0.4 ± 0.2) /nm(3) in the core regions.

Rapid detection of nicotine from breath using desorption ionisation on porous silicon.

PubMed

Guinan, T M; Abdelmaksoud, H; Voelcker, N H

2017-05-04

Desorption ionisation on porous silicon (DIOS) was used for the detection of nicotine from exhaled breath. This result represents proof-of-principle of the ability of DIOS to detect small molecular analytes in breath including biomarkers and illicit drugs.

Destruction of Raman biosignatures by ionising radiation and the implications for life detection on Mars.

PubMed

Dartnell, Lewis R; Page, Kristian; Jorge-Villar, Susana E; Wright, Gary; Munshi, Tasnim; Scowen, Ian J; Ward, John M; Edwards, Howell G M

2012-04-01

Raman spectroscopy has proven to be a very effective approach for the detection of microorganisms colonising hostile environments on Earth. The ExoMars rover, due for launch in 2018, will carry a Raman laser spectrometer to analyse samples of the martian subsurface collected by the probe's 2-m drill in a search for similar biosignatures. The martian surface is unprotected from the flux of cosmic rays, an ionising radiation field that will degrade organic molecules and so diminish and distort the detectable Raman signature of potential martian microbial life. This study employs Raman spectroscopy to analyse samples of two model organisms, the cyanobacterium Synechocystis sp. PCC 6803 and the extremely radiation resistant polyextremophile Deinococcus radiodurans, that have been exposed to increasing doses of ionising radiation. The three most prominent peaks in the Raman spectra are from cellular carotenoids: deinoxanthin in D. radiodurans and β-carotene in Synechocystis. The degradative effect of ionising radiation is clearly seen, with significant diminishment of carotenoid spectral peak heights after 15 kGy and complete erasure of Raman biosignatures by 150 kGy of ionising radiation. The Raman signal of carotenoid in D. radiodurans diminishes more rapidly than that of Synechocystis, believed to be due to deinoxanthin acting as a superior scavenger of radiolytically produced reactive oxygen species, and so being destroyed more quickly than the less efficient antioxidant β-carotene. This study highlights the necessity for further experimental work on the manner and rate of degradation of Raman biosignatures by ionising radiation, as this is of prime importance for the successful detection of microbial life in the martian near subsurface.

A Virgo Environmental Survey Tracing Ionised Gas Emission (VESTIGE). II. Constraining the quenching time in the stripped galaxy NGC 4330

NASA Astrophysics Data System (ADS)

Fossati, M.; Mendel, J. T.; Boselli, A.; Cuillandre, J. C.; Vollmer, B.; Boissier, S.; Consolandi, G.; Ferrarese, L.; Gwyn, S.; Amram, P.; Boquien, M.; Buat, V.; Burgarella, D.; Cortese, L.; Côté, P.; Côté, S.; Durrell, P.; Fumagalli, M.; Gavazzi, G.; Gomez-Lopez, J.; Hensler, G.; Koribalski, B.; Longobardi, A.; Peng, E. W.; Roediger, J.; Sun, M.; Toloba, E.

2018-06-01

The Virgo Environmental Survey Tracing Ionised Gas Emission (VESTIGE) is a blind narrow-band Hα + [NII] imaging survey carried out with MegaCam at the Canada-France-Hawaii Telescope. During pilot observations taken in the spring of 2016 we observed NGC 4330, an intermediate mass (M* ≃ 109.8 M⊙) edge-on star forming spiral currently falling into the core of the Virgo cluster. While previous Hα observations showed a clumpy complex of ionised gas knots outside the galaxy disc, new deep observations revealed a low surface brightness 10 kpc tail exhibiting a peculiar filamentary structure. The filaments are remarkably parallel to one another and clearly indicate the direction of motion of the galaxy in the Virgo potential. Motivated by the detection of these features which indicate ongoing gas stripping, we collected literature photometry in 15 bands from the far-UV to the far-IR and deep optical long-slit spectroscopy using the FORS2 instrument at the ESO Very Large Telescope. Using a newly developed Monte Carlo code that jointly fits spectroscopy and photometry, we reconstructed the star formation histories in apertures along the major axis of the galaxy. Our results have been validated against the output of CIGALE, a fitting code which has been previously used for similar studies. We found a clear outside-in gradient with radius of the time when the quenching event started: the outermost radii were stripped 500 Myr ago, while the stripping reached the inner 5 kpc from the centre in the last 100 Myr. Regions at even smaller radii are currently still forming stars fueled by the presence of HI and H2 gas. When compared to statistical studies of the quenching timescales in the local Universe we find that ram pressure stripping of the cold gas is an effective mechanism to reduce the transformation times for galaxies falling into massive clusters. Future systematic studies of all the active galaxies observed by VESTIGE in the Virgo cluster will extend these results to a robust statistical framework.

A novel flexible field-aligned coordinate system for tokamak edge plasma simulation

NASA Astrophysics Data System (ADS)

Leddy, J.; Dudson, B.; Romanelli, M.; Shanahan, B.; Walkden, N.

2017-03-01

Tokamak plasmas are confined by a magnetic field that limits the particle and heat transport perpendicular to the field. Parallel to the field the ionised particles can move freely, so to obtain confinement the field lines are "closed" (i.e. form closed surfaces of constant poloidal flux) in the core of a tokamak. Towards, the edge, however, the field lines intersect physical surfaces, leading to interaction between neutral and ionised particles, and the potential melting of the material surface. Simulation of this interaction is important for predicting the performance and lifetime of future tokamak devices such as ITER. Field-aligned coordinates are commonly used in the simulation of tokamak plasmas due to the geometry and magnetic topology of the system. However, these coordinates are limited in the geometry they allow in the poloidal plane due to orthogonality requirements. A novel 3D coordinate system is proposed herein that relaxes this constraint so that any arbitrary, smoothly varying geometry can be matched in the poloidal plane while maintaining a field-aligned coordinate. This system is implemented in BOUT++ and tested for accuracy using the method of manufactured solutions. A MAST edge cross-section is simulated using a fluid plasma model and the results show expected behaviour for density, temperature, and velocity. Finally, simulations of an isolated divertor leg are conducted with and without neutrals to demonstrate the ion-neutral interaction near the divertor plate and the corresponding beneficial decrease in plasma temperature.

Characterisation of organometallic and coordination compounds by solvent-free matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry.

PubMed

Wyatt, Mark F; Stein, Bridget K; Brenton, A Gareth

2008-01-01

Insoluble or low solubility organometallic and coordination compounds have been characterised by matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry, with solvent-free sample preparation being the key step toward successful analysis.

Matrix-free mass spectrometric imaging using laser desorption ionisation Fourier transform ion cyclotron resonance mass spectrometry.

PubMed

Goodwin, Richard J A; Pitt, Andrew R; Harrison, David; Weidt, Stefan K; Langridge-Smith, Pat R R; Barrett, Michael P; Logan Mackay, C

2011-04-15

Mass spectrometry imaging (MSI) is a powerful tool in metabolomics and proteomics for the spatial localization and identification of pharmaceuticals, metabolites, lipids, peptides and proteins in biological tissues. However, sample preparation remains a crucial variable in obtaining the most accurate distributions. Common washing steps used to remove salts, and solvent-based matrix application, allow analyte spreading to occur. Solvent-free matrix applications can reduce this risk, but increase the possibility of ionisation bias due to matrix adhesion to tissue sections. We report here the use of matrix-free MSI using laser desorption ionisation performed on a 12 T Fourier transform ion cyclotron resonance (FTICR) mass spectrometer. We used unprocessed tissue with no post-processing following thaw-mounting on matrix-assisted laser desorption ionisation (MALDI) indium-tin oxide (ITO) target plates. The identification and distribution of a range of phospholipids in mouse brain and kidney sections are presented and compared with previously published MALDI time-of-flight (TOF) MSI distributions. Copyright © 2011 John Wiley & Sons, Ltd.

Energy deposition rates by charged particles. [in upper atmosphere

NASA Technical Reports Server (NTRS)

Torkar, K. M.; Urban, A.; Bjordal, J.; Lundblad, J. A.; Soraas, F.; Smith, L. G.; Dumbs, A.; Grandal, B.; Ulwick, J. C.; Vancour, R. P.

1985-01-01

A summary of measurements of the precipitation of electrons and positive ions (in the keV-MeV range) detected aboard eight rockets launched within the Energy Budget Campaign from Northern Scandinavia is given, together with corresponding satellite data. In some cases strong temporal variations of the downgoing integral fluxes were observed. The fluxes provide the background for the calculated ion production rates and altitude profiles of the energy deposition into the atmosphere at different levels of geomagnetic disturbance and cosmic noise absorption. The derived ion production rates by eneretic particles are compared to other night-time ionisation sources.

Ionised outflows in z ~ 2.4 quasar host galaxies

NASA Astrophysics Data System (ADS)

Carniani, S.; Marconi, A.; Maiolino, R.; Balmaverde, B.; Brusa, M.; Cano-Díaz, M.; Cicone, C.; Comastri, A.; Cresci, G.; Fiore, F.; Feruglio, C.; La Franca, F.; Mainieri, V.; Mannucci, F.; Nagao, T.; Netzer, H.; Piconcelli, E.; Risaliti, G.; Schneider, R.; Shemmer, O.

2015-08-01

Aims: Outflows driven by active galactic nuclei (AGN) are invoked by galaxy evolutionary models to quench star formation and to explain the origin of the relations observed locally between super-massive black holes and their host galaxies. We here aim to detect extended ionised outflows in luminous quasars, where we expect the highest activity both in star formation and in black-hole accretion. Currently, there are only a few studies based on spatially resolved observations of outflows at high redshift, z > 2. Methods: We analysed a sample of six luminous (L > 1047 erg/s) quasars at z ~ 2.4, observed in H-band using the near-IR integral field spectrometer SINFONI at the VLT. We performed a kinematic analysis of the [Oiii] emission line at λ = 5007 Å. Results: We detect fast, spatially extended outflows in five out of six targets. [Oiii]λ5007 has a complex gas kinematic, with blue-shifted velocities of a few hundreds of km s-1 and line widths up to 1500 km s-1. Using the spectroastrometric method, we infer a size of the ionised outflows of up to ~2 kpc. The properties of the ionised outflows, mass outflow rate, momentum rate, and kinetic power, are correlated with the AGN luminosity. The increase in outflow rate with increasing AGN luminosity is consistent with the idea that a luminous AGN pushes away the surrounding gas through fast outflows that are driven by radiation pressure, which depends on the emitted luminosity. Conclusions: We derive mass outflow rates of about 6-700 M⊙ yr-1 for our sample, which are lower than those observed in molecular outflows. The physical properties of ionised outflows show dependences on AGN luminosity that are similar to those of molecular outflows, but indicate that the mass of ionised gas is lower than that of molecular outflows. Alternatively, this discrepancy between ionised and molecular outflows could be explained with different acceleration mechanisms. Based on Observations collected at the European Organisation for Astronomical Research in the Southern Hemisphere, Chile, P.ID: 086.B-0579(A).

Solar flare induced ionospheric D-region enhancements from VLF amplitude observations

NASA Astrophysics Data System (ADS)

Thomson, N. R.; Clilverd, M. A.

2001-11-01

Enhancements of D-region electron densities caused by solar flares are determined from observations of VLF subionospheric amplitude changes and these enhancements are then related to the magnitudes of the X-ray fluxes measured by the GOES satellites. The electron densities are characterised by the two traditional parameters, /H' and /β (being measures of the ionospheric height and the rate of increase of electron density with height, respectively), which are found by VLF radio modelling of the observed amplitudes using the NOSC Earth-ionosphere waveguide programs (LWPC and Modefinder) mainly on two paths, one short and one long. The short path measurements were made near Cambridge, UK, on the 18.3kHz signals from the French transmitter 617km to the south while the long path measurements were made near Dunedin, NZ, on the 24.8kHz signals from NLK in Seattle, USA, 12.3Mm across the Pacific Ocean. The observations include flares up to a magnitude of about M5 (5×10-5Wm-2 at 0.1-0.8nm) which gave VLF amplitude enhancements up to about 8dB; these corresponded, under near solar maximum conditions (1992), to a reduction in /H' from about 71km down to about 63km and an increase in /β from 0.43km-1 up to about 0.49km-1. The increased values of /β during a flare are caused by the solar X-rays dominating all sources of ionisation during the flare in contrast with the normal unperturbed daytime values of /β which are significantly lower than for a single solar UV or X-ray source due to the extra electrons from the normal galactic cosmic ray ionisation in the lowest parts of the D-region. This steady, normal (unperturbed) cosmic ray influence on /β, and hence unperturbed VLF attenuation, is more marked at times of reduced solar Lyman-/α flux in the D-region such as at solar minimum, high latitudes or early or late in the day, thus explaining the normal (unperturbed) higher VLF attenuation rates previously reported in these conditions.

Shell effect on the electron and hole reorganization energy of core-shell II-VI nanoclusters

NASA Astrophysics Data System (ADS)

Cui, Xianhui; Wang, Xinqin; Yang, Fang; Cui, Yingqi; Yang, Mingli

2017-09-01

Density functional theory calculations were performed to study the effect of shell encapsulation on the geometrical and electronic properties of pure and hybrid core-shell CdSe nanoclusters. The CdSe cores are distorted by the shells, and the shells exhibit distinct surface activity from the cores, which leads to remarkable changes in their electron transition behaviors. Although the electron and hole reorganization energies, which are related to the formation and recombination of electron-hole pairs, vary in a complicated way, their itemized contributions, potentials of electron extraction, ionization and affinity, and hole extraction (HEP), are dependent on the cluster size, shell composition and/or solvent. Our calculations suggest that the behaviors of charge carriers, free electrons and holes, in the semiconductor core-shell nanoclusters can be modulated by selecting appropriate cluster size and controlling the chemical composition of the shells.

Electronics and triggering challenges for the CMS High Granularity Calorimeter

NASA Astrophysics Data System (ADS)

Lobanov, A.

2018-02-01

The High Granularity Calorimeter (HGCAL), presently being designed by the CMS collaboration to replace the CMS endcap calorimeters for the High Luminosity phase of LHC, will feature six million channels distributed over 52 longitudinal layers. The requirements for the front-end electronics are extremely challenging, including high dynamic range (0.2 fC-10 pC), low noise (~2000 e- to be able to calibrate on single minimum ionising particles throughout the detector lifetime) and low power consumption (~20 mW/channel), as well as the need to select and transmit trigger information with a high granularity. Exploiting the intrinsic precision-timing capabilities of silicon sensors also requires careful design of the front-end electronics as well as the whole system, particularly clock distribution. The harsh radiation environment and requirement to keep the whole detector as dense as possible will require novel solutions to the on-detector electronics layout. Processing the data from the HGCAL imposes equally large challenges on the off-detector electronics, both for the hardware and incorporated algorithms. We present an overview of the complete electronics architecture, as well as the performance of prototype components and algorithms.

Preparation of 'near' homogeneous samples for the analysis of matrix-assisted laser desorption/ionisation processes

NASA Astrophysics Data System (ADS)

Allwood, D. A.; Perera, I. K.; Perkins, J.; Dyer, P. E.; Oldershaw, G. A.

1996-11-01

Highly uniform thin films of samples for matrix-assisted laser desorption/ionisation (MALDI) have been fabricated by depositing a saturated solution of ferulic acid onto a soda lime glass disc and crushing with polished aluminium, the films covering large areas of the substrate and having a thickness between 45-60 μm. The effects that different substrates and crushing materials as well as sample concentration and sample recrystallisation have on these films has been examined by scanning electron microscopy. Such films have been shown to have a lower threshold fluence for matrix ion detection than standard dried-droplet samples, the reduction being approximately 15% for three of the five matrices analysed. An explanation for this is proposed in terms of crushed samples possessing a greater average energy per unit volume coupled to them by the laser due to their improved surface uniformity. Furthermore, samples that are dried at refrigerated temperatures (˜ 2.25°C) are shown to have a much improved macroscopic uniformity over samples dried at room temperature. Refrigerated and crushed MALDI samples yield analyte ions with good spot-to-spot and pulse-to-pulse reproducibility and both preparation steps appear to improve the resolution of spectra obtained with a time-of-flight mass spectrometer.

Dose rate constants for the quantity Hp(3) for frequently used radionuclides in nuclear medicine.

PubMed

Szermerski, Bastian; Bruchmann, Iris; Behrens, Rolf; Geworski, Lilli

2016-12-01

According to recent studies, the human eye lens is more sensitive to ionising radiation than previously assumed. Therefore, the dose limit for personnel occupationally exposed to ionising radiation will be lowered from currently 150 mSv to 20 mSv per year. Currently, no data base for a reliable estimation of the dose to the lens of the eye is available for nuclear medicine. Furthermore, the dose is usually not monitored. The aim of this work was to determine dose rate constants for the quantity H p (3), which is supposed to estimate the dose to the lens of the eye. For this, H p (3)-dosemeters were fixed to an Alderson Phantom at different positions. The dosemeters were exposed to radiation from nuclides typically used in nuclear medicine in their geometries analog to their application in nuclear medicine, e.g. syringe or vial. The results show that the handling of high-energy beta (i.e. electron or positron) emitters may lead to a relevant dose to the lens of the eye. For low-energy beta emitters and gamma emitters, an exceeding of the lowered dose limit seems to be unlikely. Copyright © 2015. Published by Elsevier GmbH.

Comparison of experimental proton-induced fluorescence spectra for a selection of thin high-Z samples with Geant4 Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Incerti, S.; Barberet, Ph.; Dévès, G.; Michelet, C.; Francis, Z.; Ivantchenko, V.; Mantero, A.; El Bitar, Z.; Bernal, M. A.; Tran, H. N.; Karamitros, M.; Seznec, H.

2015-09-01

The general purpose Geant4 Monte Carlo simulation toolkit is able to simulate radiative and non-radiative atomic de-excitation processes such as fluorescence and Auger electron emission, occurring after interaction of incident ionising radiation with target atomic electrons. In this paper, we evaluate the Geant4 modelling capability for the simulation of fluorescence spectra induced by 1.5 MeV proton irradiation of thin high-Z foils (Fe, GdF3, Pt, Au) with potential interest for nanotechnologies and life sciences. Simulation results are compared to measurements performed at the Centre d'Etudes Nucléaires de Bordeaux-Gradignan AIFIRA nanobeam line irradiation facility in France. Simulation and experimental conditions are described and the influence of Geant4 electromagnetic physics models is discussed.

Solid charged-core model of ball lightning

NASA Astrophysics Data System (ADS)

Muldrew, D. B.

2010-01-01

In this study, ball lightning (BL) is assumed to have a solid, positively-charged core. According to this underlying assumption, the core is surrounded by a thin electron layer with a charge nearly equal in magnitude to that of the core. A vacuum exists between the core and the electron layer containing an intense electromagnetic (EM) field which is reflected and guided by the electron layer. The microwave EM field applies a ponderomotive force (radiation pressure) to the electrons preventing them from falling into the core. The energetic electrons ionize the air next to the electron layer forming a neutral plasma layer. The electric-field distributions and their associated frequencies in the ball are determined by applying boundary conditions to a differential equation given by Stratton (1941). It is then shown that the electron and plasma layers are sufficiently thick and dense to completely trap and guide the EM field. This model of BL is exceptional in that it can explain all or nearly all of the peculiar characteristics of BL. The ES energy associated with the core charge can be extremely large which can explain the observations that occasionally BL contains enormous energy. The mass of the core prevents the BL from rising like a helium-filled balloon - a problem with most plasma and burning-gas models. The positively charged core keeps the negatively charged electron layer from diffusing away, i.e. it holds the ball together; other models do not have a mechanism to do this. The high electrical charges on the core and in the electron layer explains why some people have been electrocuted by BL. Experiments indicate that BL radiates microwaves upon exploding and this is consistent with the model. The fact that this novel model of BL can explain these and other observations is strong evidence that the model should be taken seriously.

Development of a µ-TPC detector as a standard instrument for low-energy neutron field characterisation.

PubMed

Maire, D; Billard, J; Bosson, G; Bourrion, O; Guillaudin, O; Lamblin, J; Lebreton, L; Mayet, F; Médard, J; Muraz, J F; Richer, J P; Riffard, Q; Santos, D

2014-10-01

In order to measure the energy and fluence of neutron fields, in the energy range of 8 to 1 MeV, a new primary standard is being developed at the Institute for Radioprotection and Nuclear Safety (IRSN). This project, Micro Time Projection Chamber (µ-TPC), carried out in collaboration with the Laboratoire de Physqique Subatomique et de Cosmologie (LPSC), is based on the nucleus recoil detector principle. The measurement strategy requires track reconstruction of recoiling nuclei down to a few kiloelectronvolts, which can be achieved using a micro-pattern gaseous detector. A gas mixture, mainly isobutane, is used as an n-p converter to detect neutrons within the detection volume. Then electrons, coming from the ionisation of the gas by the proton recoil, are collected by the pixelised anode (2D projection). A self-triggered electronics system is able to perform the anode readout at a 50-MHz frequency in order to give the third dimension of the track. Then, the scattering angle is deduced from this track using algorithms. The charge collection leads to the proton energy, taking into account the ionisation quenching factor. This article emphasises the neutron energy measurements of a monoenergetic neutron field produced at 127 keV. The fluence measurement is not shown in this article. The measurements are compared with Monte Carlo simulations using realistic neutron fields and simulations of the detector response. The discrepancy between experiments and simulations is 5 keV mainly due to the calibration uncertainties of 10 %. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

NASA Astrophysics Data System (ADS)

Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D.

2004-05-01

X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca 2Ge 0.8Cr 0.2O 4, Ba 2Ge 0.1Cr 0.9O 4, Sr 2CrO 4, Ca 2(PO 4) x(CrO 4) 1- xCl ( x=0.25,0.5), Ca 5(CrO 4) 3Cl, CrO 3, the octahedrally coordinated compounds Cr(II)-acetate, CrCl 3, CrF 3, Cr 2O 3, KCr(SO 4) 2 · 12H 2O, CrO 2 and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code.

The interaction of excited atoms and few-cycle laser pulses

PubMed Central

Calvert, J. E.; Xu, Han; Palmer, A. J.; Glover, R. D.; Laban, D. E.; Tong, X. M.; Kheifets, A. S.; Bartschat, K.; Litvinyuk, I. V.; Kielpinski, D.; Sang, R. T.

2016-01-01

This work describes the first observations of the ionisation of neon in a metastable atomic state utilising a strong-field, few-cycle light pulse. We compare the observations to theoretical predictions based on the Ammosov-Delone-Krainov (ADK) theory and a solution to the time-dependent Schrödinger equation (TDSE). The TDSE provides better agreement with the experimental data than the ADK theory. We optically pump the target atomic species and measure the ionisation rate as the a function of different steady-state populations in the fine structure of the target state which shows significant ionisation rate dependence on populations of spin-polarised states. The physical mechanism for this effect is unknown. PMID:27666403

Exploring the Powerful Ionised Wind in the Seyfert Galaxy PG1211+143

NASA Astrophysics Data System (ADS)

Pounds, Ken

2013-10-01

Highly-ionised high-speed winds in AGN (UFOs) were first detected with XMM-Newton a decade ago, and are now established as a key factor in the study of SMBH accretion, and in the growth and metal enrichment of their host galaxies. However, information on the ionisation and dynamical structure, and the ultimate fate of UFOs remains very limited. We request a 600ks extended XMM-Newton study of the prototype UFO PG1211+143 in AO-13, to obtain high quality EPIC and RGS spectra, to map the flow structure and variability, while seeking evidence for the anticipated interaction with the ISM and possible conversion of the energetic wind to a momentum-driven flow.

The interaction of excited atoms and few-cycle laser pulses.

PubMed

Calvert, J E; Xu, Han; Palmer, A J; Glover, R D; Laban, D E; Tong, X M; Kheifets, A S; Bartschat, K; Litvinyuk, I V; Kielpinski, D; Sang, R T

2016-09-26

This work describes the first observations of the ionisation of neon in a metastable atomic state utilising a strong-field, few-cycle light pulse. We compare the observations to theoretical predictions based on the Ammosov-Delone-Krainov (ADK) theory and a solution to the time-dependent Schrödinger equation (TDSE). The TDSE provides better agreement with the experimental data than the ADK theory. We optically pump the target atomic species and measure the ionisation rate as the a function of different steady-state populations in the fine structure of the target state which shows significant ionisation rate dependence on populations of spin-polarised states. The physical mechanism for this effect is unknown.

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.

Inner-shell excitation and ionic fragmentation of molecules

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

Hitchcock, A.P.; Tyliszczak, T.; Cavell, R.G.

1997-04-01

Inner-shell excitation and associated decay spectroscopies are site specific probes of electronic and geometrical structure and photoionization dynamics. X-ray absorption probes the geometric and electronic structure, while time-of-flight mass spectrometry with multi-coincidence detection provides information on the photofragmentation dynamics of the initially produced inner-shell state. Auger decay of inner-shell excited and ionised states is an efficient source of multiply charged ions. The charge separation and fragmentation of these species, studied by photoelectron-photoion-photoion coincidence (also called charge separation mass spectrometry) gives insights into bonding and electronic structure. In molecules, the dependence of the fragmentation process on the X-ray energy can revealmore » cases of site and/or state selective fragmentation. At the ALS the authors have examined the soft X-ray spectroscopy and ionic fragmentation of a number of molecules, including carboranes, silylenes, phosphorus halides, SF{sub 6} and CO{sub 2}. Their work is illustrated using results from the carborane and PF{sub 3} studies.« less

Fermi level pinning characterisation on ammonium fluoride-treated surfaces of silicon by energy-filtered doping contrast in the scanning electron microscope

PubMed Central

Chee, Augustus K. W.

2016-01-01

Two-dimensional dopant profiling using the secondary electron (SE) signal in the scanning electron microscope (SEM) is a technique gaining impulse for its ability to enable rapid and contactless low-cost diagnostics for integrated device manufacturing. The basis is doping contrast from electrical p-n junctions, which can be influenced by wet-chemical processing methods typically adopted in ULSI technology. This paper describes the results of doping contrast studies by energy-filtering in the SEM from silicon p-n junction specimens that were etched in ammonium fluoride solution. Experimental SE micro-spectroscopy and numerical simulations indicate that Fermi level pinning occurred on the surface of the treated-specimen, and that the doping contrast can be explained in terms of the ionisation energy integral for SEs, which is a function of the dopant concentration, and surface band-bending effects that prevail in the mechanism for doping contrast as patch fields from the specimen are suppressed. PMID:27576347

A Study of the Vacancy-Impurity Interaction in Dilute Nickel Alloys by Core Electron Annihilation

NASA Astrophysics Data System (ADS)

Arbuzov, V. L.; Danilov, S. E.; Druzhkov, A. P.

1997-08-01

It is shown that the angular correlation of annihilation radiation can be used to identify vacancy-impurity complexes in dilute alloys. Annihilation of trapped positrons with core electrons bears information about the chemical environment of a vacancy defect. The method is especially effective for d-matrices doped with sp-impurities since annihilation parameters of positrons with d- and sp-shell electrons differ considerably. The potentialities of the method of core-electron annihilation of positrons are demonstrated taking electron-irradiated dilute Ni-P and Ni-Si alloys as an example. It is shown that the interaction between the vacancies, which migrate at the III stage of annealing, and P atoms in Ni-P causes a considerable change in the annihilation parameters of positrons with core electrons compared to pure Ni. In Ni-Si alloys the annihilation parameters of trapped positrons with core electrons do not differ from those in Ni. This fact is an evidence that Si atoms do not interact with vacancies in Ni.

Ambient ionisation mass spectrometry for in situ analysis of intact proteins

PubMed Central

Kocurek, Klaudia I.; Griffiths, Rian L.

2018-01-01

Abstract Ambient surface mass spectrometry is an emerging field which shows great promise for the analysis of biomolecules directly from their biological substrate. In this article, we describe ambient ionisation mass spectrometry techniques for the in situ analysis of intact proteins. As a broad approach, the analysis of intact proteins offers unique advantages for the determination of primary sequence variations and posttranslational modifications, as well as interrogation of tertiary and quaternary structure and protein‐protein/ligand interactions. In situ analysis of intact proteins offers the potential to couple these advantages with information relating to their biological environment, for example, their spatial distributions within healthy and diseased tissues. Here, we describe the techniques most commonly applied to in situ protein analysis (liquid extraction surface analysis, continuous flow liquid microjunction surface sampling, nano desorption electrospray ionisation, and desorption electrospray ionisation), their advantages, and limitations and describe their applications to date. We also discuss the incorporation of ion mobility spectrometry techniques (high field asymmetric waveform ion mobility spectrometry and travelling wave ion mobility spectrometry) into ambient workflows. Finally, future directions for the field are discussed. PMID:29607564

Matrix-free mass spectrometric imaging using laser desorption ionisation Fourier transform ion cyclotron resonance mass spectrometry

PubMed Central

Goodwin, Richard J A; Pitt, Andrew R; Harrison, David; Weidt, Stefan K; Langridge-Smith, Pat R R; Barrett, Michael P; Logan Mackay, C

2011-01-01

Mass spectrometry imaging (MSI) is a powerful tool in metabolomics and proteomics for the spatial localization and identification of pharmaceuticals, metabolites, lipids, peptides and proteins in biological tissues. However, sample preparation remains a crucial variable in obtaining the most accurate distributions. Common washing steps used to remove salts, and solvent-based matrix application, allow analyte spreading to occur. Solvent-free matrix applications can reduce this risk, but increase the possibility of ionisation bias due to matrix adhesion to tissue sections. We report here the use of matrix-free MSI using laser desorption ionisation performed on a 12 T Fourier transform ion cyclotron resonance (FTICR) mass spectrometer. We used unprocessed tissue with no post-processing following thaw-mounting on matrix-assisted laser desorption ionisation (MALDI) indium-tin oxide (ITO) target plates. The identification and distribution of a range of phospholipids in mouse brain and kidney sections are presented and compared with previously published MALDI time-of-flight (TOF) MSI distributions. Copyright © 2011 John Wiley & Sons, Ltd. PMID:21416534

Improving serum calcium test ordering according to a decision algorithm.

PubMed

Faria, Daniel K; Taniguchi, Leandro U; Fonseca, Luiz A M; Ferreira-Junior, Mario; Aguiar, Francisco J B; Lichtenstein, Arnaldo; Sumita, Nairo M; Duarte, Alberto J S; Sales, Maria M

2018-05-18

To detect differences in the pattern of serum calcium tests ordering before and after the implementation of a decision algorithm. We studied patients admitted to an internal medicine ward of a university hospital on April 2013 and April 2016. Patients were classified as critical or non-critical on the day when each test was performed. Adequacy of ordering was defined according to adherence to a decision algorithm implemented in 2014. Total and ionised calcium tests per patient-day of hospitalisation significantly decreased after the algorithm implementation; and duplication of tests (total and ionised calcium measured in the same blood sample) was reduced by 49%. Overall adequacy of ionised calcium determinations increased by 23% (P=0.0001) due to the increase in the adequacy of ionised calcium ordering in non-critical conditions. A decision algorithm can be a useful educational tool to improve adequacy of the process of ordering serum calcium tests. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Ambient ionisation mass spectrometry for the characterisation of polymers and polymer additives: a review.

PubMed

Paine, Martin R L; Barker, Philip J; Blanksby, Stephen J

2014-01-15

The purpose of this review is to showcase the present capabilities of ambient sampling and ionisation technologies for the analysis of polymers and polymer additives by mass spectrometry (MS) while simultaneously highlighting their advantages and limitations in a critical fashion. To qualify as an ambient ionisation technique, the method must be able to probe the surface of solid or liquid samples while operating in an open environment, allowing a variety of sample sizes, shapes, and substrate materials to be analysed. The main sections of this review will be guided by the underlying principle governing the desorption/extraction step of the analysis; liquid extraction, laser ablation, or thermal desorption, and the major component investigated, either the polymer itself or exogenous compounds (additives and contaminants) present within or on the polymer substrate. The review will conclude by summarising some of the challenges these technologies still face and possible directions that would further enhance the utility of ambient ionisation mass spectrometry as a tool for polymer analysis. Copyright © 2013 Elsevier B.V. All rights reserved.

Lemna minor plants chronically exposed to ionising radiation: RNA-seq analysis indicates a dose rate dependent shift from acclimation to survival strategies.

PubMed

Van Hoeck, Arne; Horemans, Nele; Nauts, Robin; Van Hees, May; Vandenhove, Hildegarde; Blust, Ronny

2017-04-01

Ecotoxicological research provides knowledge on ionising radiation-induced responses in different plant species. However, the sparse data currently available are mainly extracted from acute exposure treatments. To provide a better understanding of environmental exposure scenarios, the response to stress in plants must be followed in more natural relevant chronic conditions. We previously showed morphological and biochemical responses in Lemna minor plants continuously exposed for 7days in a dose-rate dependent manner. In this study responses on molecular (gene expression) and physiological (photosynthetic) level are evaluated in L. minor plants exposed to ionising radiation. To enable this, we examined the gene expression profiles of irradiated L. minor plants by using an RNA-seq approach. The gene expression data reveal indications that L. minor plants exposed at lower dose rates, can tolerate the exposure by triggering acclimation responses. In contrast, at the highest dose rate tested, a high number of genes related to antioxidative defense systems, DNA repair and cell cycle were differentially expressed suggesting that only high dose rates of ionising radiation drive L. minor plants into survival strategies. Notably, the photosynthetic process seems to be unaffected in L. minor plants among the tested dose rates. This study, supported by our earlier work, clearly indicates that plants shift from acclimation responses towards survival responses at increasing dose rates of ionising radiation. Copyright © 2017 Elsevier B.V. All rights reserved.

The potential of organic (electrospray- and atmospheric pressure chemical ionisation) mass spectrometric techniques coupled to liquid-phase separation for speciation analysis.

PubMed

Rosenberg, Erwin

2003-06-06

The use of mass spectrometry based on atmospheric pressure ionisation techniques (atmospheric pressure chemical ionisation, APCI, and electrospray ionisation, ESI) for speciation analysis is reviewed with emphasis on the literature published in and after 1999. This report accounts for the increasing interest that atmospheric pressure ionisation techniques, and in particular ESI, have found in the past years for qualitative and quantitative speciation analysis. In contrast to element-selective detectors, organic mass spectrometric techniques provide information on the intact metal species which can be used for the identification of unknown species (particularly with MS-MS detection) or the confirmation of the actual presence of species in a given sample. Due to the complexity of real samples, it is inevitable in all but the simplest cases to couple atmospheric pressure MS detection to a separation technique. Separation in the liquid phase (capillary electrophoresis or liquid chromatography in reversed phase, ion chromatographic or size-exclusion mode) is particularly suitable since the available techniques cover a very wide range of analyte polarities and molecular mass. Moreover, derivatisation can normally be avoided in liquid-phase separation. Particularly in complex environmental or biological samples, separation in one dimension is not sufficient for obtaining adequate resolution for all relevant species. In this case, multi-dimensional separation, based on orthogonal separation techniques, has proven successful. ESI-MS is also often used in parallel with inductively coupled plasma MS detection. This review is structured in two parts. In the first, the fundamentals of atmospheric pressure ionisation techniques are briefly reviewed. The second part of the review discusses recent applications including redox species, use of ESI-MS for structural elucidation of metal complexes, characterisation and quantification of small organometallic species with relevance to environment, health and food. Particular attention is given to the characterisation of biomolecules and metalloproteins (metallothioneins and phytochelatins) and to the investigation of the interaction of metals and biomolecules. Particularly in the latter field, ESI-MS is the ideal technique due to the softness of the ionisation process which allows to assume that the detected gas-phase ions are a true representation of the ions or ion-biomolecule complexes prevalent in solution. It is particularly this field, important to biochemistry, physiology and medical chemistry, where we can expect significant developments also in the future.

Apparatus and method for compensating for electron beam emittance in synchronizing light sources

DOEpatents

Neil, George R.

1996-01-01

A focused optical beam is used to change the path length of the core electrons in electron light sources thereby boosting their efficiency of conversion of electron beam energy to light. Both coherent light in the free electron laser and incoherent light in the synchrotron is boosted by this technique. By changing the path length of the core electrons by the proper amount, the core electrons are caused to stay in phase with the electrons in the outer distribution of the electron beam. This increases the fraction of the electron beam energy that is converted to light thereby improving the efficiency of conversion of energy to light and therefore boosting the power output of the free electron laser and synchrotron.

Apparatus and method for compensating for electron beam emittance in synchronizing light sources

DOEpatents

Neil, G.R.

1996-07-30

A focused optical beam is used to change the path length of the core electrons in electron light sources thereby boosting their efficiency of conversion of electron beam energy to light. Both coherent light in the free electron laser and incoherent light in the synchrotron is boosted by this technique. By changing the path length of the core electrons by the proper amount, the core electrons are caused to stay in phase with the electrons in the outer distribution of the electron beam. This increases the fraction of the electron beam energy that is converted to light thereby improving the efficiency of conversion of energy to light and therefore boosting the power output of the free electron laser and synchrotron. 4 figs.

Performance evaluation of different diamond-like carbon samples as charge state conversion surfaces for neutral atom imaging detectors in space applications

NASA Astrophysics Data System (ADS)

Brigitte Neuland, Maike; Allenbach, Marc; Föhn, Martina; Wurz, Peter

2017-04-01

The detection of energetic neutral atoms is a substantial requirement on every space mission mapping particle populations of a planetary magnetosphere or plasma of the interstellar medium. For imaging neutrals, these first have to be ionised. Regarding the constraints of weight, volume and power consumption, the technique of surface ionisation complies with all specifications of a space mission. Particularly low energy neutral atoms, which cannot be ionised by passing through a foil, are ionised by scattering on a charge state conversion surface [1]. Since more than 30 years intense research work is done to find and optimise suitable materials for use as charge state conversion surfaces for space application. Crucial parameters are the ionisation efficiency of the surface material and the scattering properties. Regarding these parameters, diamond-like carbon was proven advantageously: While efficiently ionising incoming neutral atoms, diamond stands out by its durability and chemical inertness [2]. In the IBEX-Lo sensor, a diamond-like carbon surface is used for ionisation of neutral atoms. Building on the successes of the IBEX mission [3], the follow up mission IMAP (InterstellarMApping Probe) will take up to further explore the boundaries of the heliosphere. The IMAP mission is planned to map neutral atoms in a larger energy range and with a distinct better angular resolution and sensitivity than IBEX [4]. The aspired performance of the IMAP sensors implies also for charge state conversion surfaces with improved characteristics. We investigated samples of diamond-like carbon, manufactured by the chemical vapour deposition (CVD) method, regarding their ionisation efficiency, scattering and reflexion properties. Experiments were carried out at the ILENA facility at the University of Bern [5] with hydrogen and oxygen atoms, which are the species of main interest in magnetospheric research [1]. We compare the results of earlier investigations of a metallised CVD sample [6] to our latest measurements of a Boron-doped CVD diamond sample. We additionally measured the B-concentration in the sample to prove our predictions of the B-concentration needed to reach sufficient conductibility for the sample not getting electrostatically charged during instrument operation. The results of narrower scattering cones and higher ionisation efficiency show that diamond-like carbon still is the preferred material for charge state conversion surfaces and that new surface technologies offer improved diamond conversion surfaces with different properties and hence the possibility for improvement of the performance of neutral atom imaging instruments. References: [1] P. Wurz, Detection of Energetic Neutral Atoms, in The Outer Heliosphere: Beyond the Planets, Copernicus Gesellschaft e.V., Katlenburg-Lindau, Germany, 2000, p. 251-288. [2] P. Wurz, R. Schletti, M.R. Aellig, Surf. Sci. 373(1997), 56-66. [3] D.J. McComas et al., Geophys. Res. Lett. 38(2011), L18101. [4] N.A. Schwadron et al., J. of Phys.. Conf. Series 767(2016): 012025 [5] P. Wahlström, J.A. Scheer, A. Riedo, P. Wurz and M. Wieser, J. Spacecr. Rockets 50 (2013): 402-410. [6] M.B. Neuland, J.A. Scheer, A. Riedo and P. Wurz, Appl. Surf. Sci. 313(2014):293-303.

An efficient basis set representation for calculating electrons in molecules

DOE PAGES

Jones, Jeremiah R.; Rouet, Francois -Henry; Lawler, Keith V.; ...

2016-04-27

The method of McCurdy, Baertschy, and Rescigno, is generalised to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules. It uses a basis set of product sinc functions arrayed on a Cartesian grid, and yields 1 kcal/mol precision for valence transition energies with a grid resolution of approximately 0.1 bohr. The Coulomb matrix elements are replaced with matrix elements obtained from the kinetic energy operator. A resolution-of-the-identity approximation renders the primitive one- and two-electron matrix elements diagonal; in other words, the Coulomb operator is local with respect to the grid indices. Themore » calculation of contracted two-electron matrix elements among orbitals requires only O( Nlog (N)) multiplication operations, not O( N 4), where N is the number of basis functions; N = n 3 on cubic grids. The representation not only is numerically expedient, but also produces energies and properties superior to those calculated variationally. Absolute energies, absorption cross sections, transition energies, and ionisation potentials are reported for 1- (He +, H + 2), 2- (H 2, He), 10- (CH 4), and 56-electron (C 8H 8) systems.« less

Rydberg gas theory of a glow discharge plasma: I. Application to the electrical behaviour of a fast flowing glow discharge plasma.

PubMed

Mason, Rod S; Mitchell, David J; Dickinson, Paul M

2010-04-21

Current-voltage (I-V) curves have been measured, independent of the main discharge, for electricity passing through the steady state fast flowing 'afterglow' plasma of a low power dc glow discharge in Ar. Voltage profiles along the axial line of conduction have been mapped using fixed probes and potentiometry, and the mass spectra of cations emerging from the downstream sampling Cone, also acting as a probe anode, were recorded simultaneously. Floating double probe experiments were also carried out. The electrical behavior is consistent with the well established I-V characteristics of such discharges, but does not comply with classical plasma theory predictions. The plasma decays along the line of conduction, with a lifetime of approximately 1 ms, despite carrying a steady state current, and its potential is below that of the large surface area anode voltage; a situation which cannot exist in the presence of a conventional free ion-electron plasma, unless the electron temperature is super cold. Currents, large by comparison with the main discharge current, and independent of it, are induced to flow through the downstream plasma, from the Anode (acting as a cathode) to the anodic ion exit Cone, induced by electron impact ionisation at the anode, but without necessarily increasing the plasma density. It appears to be conducted by direct charge transfer between a part of the anode surface (acting as cathode to the auxiliary circuit) and the plasma, without secondary electron emission or heating, which suggests the direct involvement of Rydberg atom intermediates. The reaction energy defect (= the work function of the electrode surface) fits with the plasma potential threshold observed for the cathodic reaction to occur. A true free ion-electron plasma is readily detected by the observation of cations at the anode surface, when induced at the downstream anode, at high bias voltages, by the electron impact ionisation in the boundary region. In contrast to the classical model, the complex electrical (and mass spectrometric) behaviour fits qualitatively, but can be understood well, with the Rydberg gas model described in papers II and III (R. S. Mason, and R. S. Mason and P. Douglas, PCCP, 2010, DOI: 10.1039/b918081h and b918083d) over a wide range of probe bias voltages. The full cycle of behavior is then described for the development of a true secondary discharge within the downstream plasma.

Efficient ionisation of calcium, strontium and barium by resonant laser pumping

NASA Technical Reports Server (NTRS)

Skinner, C. H.

1980-01-01

Efficient ionization has been observed when an atomic vapor of strontium, barium or calcium was illuminated with a long pulse tunable laser at the frequency of the atomic resonance line. The variation in the degree of ionization with neutral density and laser intensity has been measured using the 'hook' method. The maximum ionization observed was 94%. Excited state populations were measured yielding an excitation temperature (depending on exact experimental conditions) in the region of 0.4 eV. The decay of ion density after the laser pulse was monitored and the recombination coefficients determined. The results are interpreted in terms of an electron heating model.

Standardisation and half-life of 89Zr.

PubMed

García-Toraño, E; Peyrés, V; Roteta, M; Mejuto, M; Sánchez-Cabezudo, A; Romero, E

2018-04-01

The nuclide 89 Zr is being tested for the labelling of compounds with long blood circulation times. It decays by beta plus emission (22.8%) and by electron capture (77.2%) to 89 Y. Its half-life has been determined by following the decay rate with two measurement systems; an Ionisation Chamber and an HPGe detector. The combination of six results gives a value of T 1/2 = 78.333 (38) h, slightly lower than the DDEP recommended value of 78.42 (13) h. This radionuclide has also been standardised by liquid scintillation counting, 4πγ counting and coincidence techniques. Copyright © 2017 Elsevier Ltd. All rights reserved.

A Regional GPS Receiver Network For Monitoring Mid-latitude Total Electron Content During Storms

NASA Astrophysics Data System (ADS)

Vernon, A.; Cander, Lj. R.

A regional GPS receiver network has been used for monitoring mid-latitude total elec- tron content (TEC) during ionospheric storms at the current solar maximum. Differ- ent individual storms were examined to study how the temporal patterns of changes develop and how they are related to solar and geomagnetic activity for parameter de- scriptive of plasmaspheric-ionospheric ionisation. Use is then made of computer con- touring techniques to produce snapshot maps of TEC for different study cases. Com- parisons with the local ionosonde data at different phases of the storms enable the storm developments to be studied in detail.

Defects, optical absorption and electron mobility in indium and gallium nitrides

NASA Astrophysics Data System (ADS)

Tansley, T. L.; Egan, R. J.

1993-04-01

We review the experimental evidence for the origin and location of the four native point defects in the wide gap semiconducting indium and gallium nitrides and compare then with experimental predictions. The donor triplets associated with nitrogen vacancies and the deep compensating centres ascribed to the antisite substitutional defects appear to have the greatest effect on macroscopic properties, apparently including the four luminescent bands in GaN. Calculated mobilities in InN and GaN depend principally on ionised impurity and polar-mode phonon scattering. We reconcile these results with experimental data and point out the consequences for improvements in material growth.

Examining Pre-Service Teachers' Use of Atomic Models in Explaining Subsequent Ionisation Energy Values

ERIC Educational Resources Information Center

Wheeldon, Ruth

2012-01-01

Chemistry students' explanations of ionisation energy phenomena often involve a number of non-scientific or inappropriate ideas being used to form causality arguments. Research has attributed this to many science teachers using these ideas themselves (Tan and Taber, in "J Chem Educ" 86(5):623-629, 2009). This research extends this work by…

ELECTRON-CAPTURE AND β-DECAY RATES FOR sd-SHELL NUCLEI IN STELLAR ENVIRONMENTS RELEVANT TO HIGH-DENSITY O–NE–MG CORES

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

Suzuki, Toshio; Toki, Hiroshi; Nomoto, Ken’ichi, E-mail: suzuki@phys.chs.nihon-u.ac.jp

Electron-capture and β-decay rates for nuclear pairs in the sd-shell are evaluated at high densities and high temperatures relevant to the final evolution of electron-degenerate O–Ne–Mg cores of stars with initial masses of 8–10 M{sub ⊙}. Electron capture induces a rapid contraction of the electron-degenerate O–Ne–Mg core. The outcome of rapid contraction depends on the evolutionary changes in the central density and temperature, which are determined by the competing processes of contraction, cooling, and heating. The fate of the stars is determined by these competitions, whether they end up with electron-capture supernovae or Fe core-collapse supernovae. Since the competing processes aremore » induced by electron capture and β-decay, the accurate weak rates are crucially important. The rates are obtained for pairs with A = 20, 23, 24, 25, and 27 by shell-model calculations in the sd-shell with the USDB Hamiltonian. Effects of Coulomb corrections on the rates are evaluated. The rates for pairs with A = 23 and 25 are important for nuclear Urca processes that determine the cooling rate of the O–Ne–Mg core, while those for pairs with A = 20 and 24 are important for the core contraction and heat generation rates in the core. We provide these nuclear rates at stellar environments in tables with fine enough meshes at various densities and temperatures for studies of astrophysical processes sensitive to the rates. In particular, the accurate rate tables are crucially important for the final fates of not only O–Ne–Mg cores but also a wider range of stars, such as C–O cores of lower-mass stars.« less

Direct Heating of a Laser-Imploded Core by Ultraintense Laser-Driven Ions

NASA Astrophysics Data System (ADS)

Kitagawa, Y.; Mori, Y.; Komeda, O.; Ishii, K.; Hanayama, R.; Fujita, K.; Okihara, S.; Sekine, T.; Satoh, N.; Kurita, T.; Takagi, M.; Watari, T.; Kawashima, T.; Kan, H.; Nishimura, Y.; Sunahara, A.; Sentoku, Y.; Nakamura, N.; Kondo, T.; Fujine, M.; Azuma, H.; Motohiro, T.; Hioki, T.; Kakeno, M.; Miura, E.; Arikawa, Y.; Nagai, T.; Abe, Y.; Ozaki, S.; Noda, A.

2015-05-01

A novel direct core heating fusion process is introduced, in which a preimploded core is predominantly heated by energetic ions driven by LFEX, an extremely energetic ultrashort pulse laser. Consequently, we have observed the D (d ,n )He 3 -reacted neutrons (DD beam-fusion neutrons) with the yield of 5 ×108 n /4 π sr . Examination of the beam-fusion neutrons verified that the ions directly collide with the core plasma. While the hot electrons heat the whole core volume, the energetic ions deposit their energies locally in the core, forming hot spots for fuel ignition. As evidenced in the spectrum, the process simultaneously excited thermal neutrons with the yield of 6 ×107 n /4 π sr , raising the local core temperature from 0.8 to 1.8 keV. A one-dimensional hydrocode STAR 1D explains the shell implosion dynamics including the beam fusion and thermal fusion initiated by fast deuterons and carbon ions. A two-dimensional collisional particle-in-cell code predicts the core heating due to resistive processes driven by hot electrons, and also the generation of fast ions, which could be an additional heating source when they reach the core. Since the core density is limited to 2 g /cm3 in the current experiment, neither hot electrons nor fast ions can efficiently deposit their energy and the neutron yield remains low. In future work, we will achieve the higher core density (>10 g /cm3 ); then hot electrons could contribute more to the core heating via drag heating. Together with hot electrons, the ion contribution to fast ignition is indispensable for realizing high-gain fusion. By virtue of its core heating and ignition, the proposed scheme can potentially achieve high gain fusion.

Direct heating of a laser-imploded core by ultraintense laser-driven ions.

PubMed

Kitagawa, Y; Mori, Y; Komeda, O; Ishii, K; Hanayama, R; Fujita, K; Okihara, S; Sekine, T; Satoh, N; Kurita, T; Takagi, M; Watari, T; Kawashima, T; Kan, H; Nishimura, Y; Sunahara, A; Sentoku, Y; Nakamura, N; Kondo, T; Fujine, M; Azuma, H; Motohiro, T; Hioki, T; Kakeno, M; Miura, E; Arikawa, Y; Nagai, T; Abe, Y; Ozaki, S; Noda, A

2015-05-15

A novel direct core heating fusion process is introduced, in which a preimploded core is predominantly heated by energetic ions driven by LFEX, an extremely energetic ultrashort pulse laser. Consequently, we have observed the D(d,n)^{3}He-reacted neutrons (DD beam-fusion neutrons) with the yield of 5×10^{8} n/4π sr. Examination of the beam-fusion neutrons verified that the ions directly collide with the core plasma. While the hot electrons heat the whole core volume, the energetic ions deposit their energies locally in the core, forming hot spots for fuel ignition. As evidenced in the spectrum, the process simultaneously excited thermal neutrons with the yield of 6×10^{7} n/4π sr, raising the local core temperature from 0.8 to 1.8 keV. A one-dimensional hydrocode STAR 1D explains the shell implosion dynamics including the beam fusion and thermal fusion initiated by fast deuterons and carbon ions. A two-dimensional collisional particle-in-cell code predicts the core heating due to resistive processes driven by hot electrons, and also the generation of fast ions, which could be an additional heating source when they reach the core. Since the core density is limited to 2 g/cm^{3} in the current experiment, neither hot electrons nor fast ions can efficiently deposit their energy and the neutron yield remains low. In future work, we will achieve the higher core density (>10 g/cm^{3}); then hot electrons could contribute more to the core heating via drag heating. Together with hot electrons, the ion contribution to fast ignition is indispensable for realizing high-gain fusion. By virtue of its core heating and ignition, the proposed scheme can potentially achieve high gain fusion.

Qualification of coolants and cooling pipes for future high-energy-particle detectors

NASA Astrophysics Data System (ADS)

Ilie, Sorin; Tavlet, Marc

2001-12-01

In the next generation of high-energy-particle detectors to be installed at the Large Hadron Collider (LHC) at CERN, materials and components will be exposed to a significant level of ionising radiation. Silicon detectors and related electronics will have to be cooled down to -20 °C and therefore appropriate cooling fluids and cooling pipes have to be selected. Analytical methods such as UV-visible and FT-IR spectrometries, electronic microscopy and gas chromatography were used to characterise the radiation-induced effects on some organic coolants irradiated with both gamma and neutron fields. Some impurities were identified as a major source for radio-induced polymerisation and also for hydrofluoric acid (HF) evolution. Mechanical tests were performed to assess the operability of the rubber hoses and plastic pipes. Possible synergistic effects between the pipe material and the environment had to be considered.

Further investigations of the effect of pressure on retention in ultra-high-pressure liquid chromatography.

PubMed

Fallas, Morgane M; Neue, Uwe D; Hadley, Mark R; McCalley, David V

2010-01-15

In this study, we investigated further the large increases in retention with pressure that we observed previously in RP-LC especially for ionised solutes. These findings were initially confirmed on a conventional silica C(18) column, which gave extremely similar results to the hybrid C(18) phase originally used. Large increases in retention factor of approximately 50% for a pressure increase of 500 bar were also shown for high MW polar but neutral solutes. However, experiments with the same bases in ionised and non-ionised forms suggest that somewhat greater pressure-induced retention increases are found for ionised solutes. Retention increases with pressure were found to be considerably smaller for a C(1) column compared with a C(18) column; decreases in retention with increasing pressure were noted for ionised bases when using a bare silica column in the hydrophilic interaction chromatography (HILIC) mode. These observations are consistent with the partial loss of the solvation layer in RP-LC as the solute is forced into the hydrophobic environment of the stationary phase, and consequent reduction in the solute molar volume, while the water layer on the surface of a HILIC packing increases the hydration of a basic analyte. Finally, retention changes with pressure in RP-LC can also be observed at a mobile phase pH close to the solute pK(a), due to changes in pK(a) with pressure. However, this effect has no influence on the results of most of our studies. 2009 Elsevier B.V. All rights reserved.

Exploring Learners' Conceptual Resources: Singapore a Level Students' Explanations in the Topic of Ionisation Energy

ERIC Educational Resources Information Center

Taber, Keith S.; Tan, Kim Chwee Daniel

2007-01-01

This paper describes findings from a study to explore Singapore A-level (Grades 11 and 12, 16-19 yr old) students' understanding of ionisation energy, an abstract and complex topic that is featured in school chemistry courses. Previous research had reported that students in the United Kingdom commonly use alternative notions based on the perceived…

2DRMP: A suite of two-dimensional R-matrix propagation codes

NASA Astrophysics Data System (ADS)

Scott, N. S.; Scott, M. P.; Burke, P. G.; Stitt, T.; Faro-Maza, V.; Denis, C.; Maniopoulou, A.

2009-12-01

The R-matrix method has proved to be a remarkably stable, robust and efficient technique for solving the close-coupling equations that arise in electron and photon collisions with atoms, ions and molecules. During the last thirty-four years a series of related R-matrix program packages have been published periodically in CPC. These packages are primarily concerned with low-energy scattering where the incident energy is insufficient to ionise the target. In this paper we describe 2DRMP, a suite of two-dimensional R-matrix propagation programs aimed at creating virtual experiments on high performance and grid architectures to enable the study of electron scattering from H-like atoms and ions at intermediate energies. Program summaryProgram title: 2DRMP Catalogue identifier: AEEA_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEA_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 196 717 No. of bytes in distributed program, including test data, etc.: 3 819 727 Distribution format: tar.gz Programming language: Fortran 95, MPI Computer: Tested on CRAY XT4 [1]; IBM eServer 575 [2]; Itanium II cluster [3] Operating system: Tested on UNICOS/lc [1]; IBM AIX [2]; Red Hat Linux Enterprise AS [3] Has the code been vectorised or parallelised?: Yes. 16 cores were used for small test run Classification: 2.4 External routines: BLAS, LAPACK, PBLAS, ScaLAPACK Subprograms used: ADAZ_v1_1 Nature of problem: 2DRMP is a suite of programs aimed at creating virtual experiments on high performance architectures to enable the study of electron scattering from H-like atoms and ions at intermediate energies. Solution method: Two-dimensional R-matrix propagation theory. The (r,r) space of the internal region is subdivided into a number of subregions. Local R-matrices are constructed within each subregion and used to propagate a global R-matrix, ℜ, across the internal region. On the boundary of the internal region ℜ is transformed onto the IERM target state basis. Thus, the two-dimensional R-matrix propagation technique transforms an intractable problem into a series of tractable problems enabling the internal region to be extended far beyond that which is possible with the standard one-sector codes. A distinctive feature of the method is that both electrons are treated identically and the R-matrix basis states are constructed to allow for both electrons to be in the continuum. The subregion size is flexible and can be adjusted to accommodate the number of cores available. Restrictions: The implementation is currently restricted to electron scattering from H-like atoms and ions. Additional comments: The programs have been designed to operate on serial computers and to exploit the distributed memory parallelism found on tightly coupled high performance clusters and supercomputers. 2DRMP has been systematically and comprehensively documented using ROBODoc [4] which is an API documentation tool that works by extracting specially formatted headers from the program source code and writing them to documentation files. Running time: The wall clock running time for the small test run using 16 cores and performed on [3] is as follows: bp (7 s); rint2 (34 s); newrd (32 s); diag (21 s); amps (11 s); prop (24 s). References:HECToR, CRAY XT4 running UNICOS/lc, http://www.hector.ac.uk/, accessed 22 July, 2009. HPCx, IBM eServer 575 running IBM AIX, http://www.hpcx.ac.uk/, accessed 22 July, 2009. HP Cluster, Itanium II cluster running Red Hat Linux Enterprise AS, Queen s University Belfast, http://www.qub.ac.uk/directorates/InformationServices/Research/HighPerformanceComputing/Services/Hardware/HPResearch/, accessed 22 July, 2009. Automating Software Documentation with ROBODoc, http://www.xs4all.nl/~rfsber/Robo/, accessed 22 July, 2009.

The Last Interglacial sea level change: new evidence from the Abrolhos islands, West Australia

NASA Astrophysics Data System (ADS)

Eisenhauer, A.; Zhu, Z. R.; Collins, L. B.; Wyrwoll, K. H.; Eichstätter, R.

U-series ages measured by thermal ionisation mass spectrometry (TIMS) are reported for a Last Interglacial (LI) fossil coral core from the Turtle Bay, Houtman Abrolhos islands, western Australia. The core is 33.4m long the top of which is approximately 5ma.p.s.l. (above present sea level). From the 232Th concentrations and the reliability of the U-series ages, two sections in the core can be distinguished. Calculated U/Th ages in core sectionI (3.3ma.p.s.l to 11mb.p.s.l) vary between 124+/-1.7kaBP (3.3ma.p.s.l.) and 132.5+/-1.8ka (4mb.p.s.l., i.e. below present sea level), and those of sectionII (11-23mb.p.s.l.) between 140+/-3 and 214+/-5kaBP, respectively. The ages of core sectionI are in almost perfect chronological order, whereas for sectionII no clear age-depth relationship of the samples can be recognised. Further assessments based on the ∂234U(T) criteria reveal that none of the samples of core sectionII give reliable ages, whereas for core sectionI several samples can be considered to be moderately reliable within 2ka. The data of the Turtle Bay core complement and extend our previous work from the Houtman Abrolhos showing that the sea level reached a height of approximately 4mb.p.s.l at approximately 134kaBP and a sea level highstand of at least 3.3ma.p.s.l. at approximately 124kaBP. Sea level dropped below its present position at approximately 116kaBP. Although the new data are in general accord with the Milankovitch theory of climate change, a detailed comparison reveals considerable differences between the Holocenand LI sea level rise as monitored relative to the Houtman Abrolhos islands. These observation apparently add further evidence to the growing set of data that the LI sea level rise started earlier than recognised by SPECMAP chronology. A reconciliation of these contradictionary observations following the line of arguments presented by Crowley (1994) are discussed with respect to the Milankovitch theory.

Revisiting the radial abundance gradients of nitrogen and oxygen of the Milky Way

NASA Astrophysics Data System (ADS)

Esteban, C.; García-Rojas, J.

2018-05-01

We present spectra obtained with the 10.4 m Gran Telescopio Canarias telescope of 13 Galactic H II regions, most of them of very low ionisation degree. The objects are located along the Galactic disc, with RG from 5.7 to 16.1 kpc. We determine Te([N II]) for all of them. We obtain - for the first time - a radial abundance gradient of N that is independent on the ionisation correction factor. The radial distribution of the N/O ratio is almost flat, indicating that the bulk of N is not formed by standard secondary processes. We have made a reassessment of the radial O abundance gradient combining our results with previous similar ones by Esteban et al. (2017); producing a homogeneous dataset of 35 H II regions with direct determinations of the electron temperature. We report the possible presence of a flattening or drop of the O abundance in the inner part of the Galactic disc. This result confirms previous findings from metallicity distributions based on Cepheids and red giants. Finally, we find that the scatter of the N and O abundances of H II regions with respect to the gradient fittings is not substantially larger than the observational uncertainties, indicating that both chemical elements seem to be well mixed in the interstellar gas at a given distance along the Galactic disc

Brightness analysis of an electron beam with a complex profile

NASA Astrophysics Data System (ADS)

Maesaka, Hirokazu; Hara, Toru; Togawa, Kazuaki; Inagaki, Takahiro; Tanaka, Hitoshi

2018-05-01

We propose a novel analysis method to obtain the core bright part of an electron beam with a complex phase-space profile. This method is beneficial to evaluate the performance of simulation data of a linear accelerator (linac), such as an x-ray free electron laser (XFEL) machine, since the phase-space distribution of a linac electron beam is not simple, compared to a Gaussian beam in a synchrotron. In this analysis, the brightness of undulator radiation is calculated and the core of an electron beam is determined by maximizing the brightness. We successfully extracted core electrons from a complex beam profile of XFEL simulation data, which was not expressed by a set of slice parameters. FEL simulations showed that the FEL intensity was well remained even after extracting the core part. Consequently, the FEL performance can be estimated by this analysis without time-consuming FEL simulations.

Spectroscopie du Furanne et du Thiophene Par Diffusion Inelastique D'electrons

NASA Astrophysics Data System (ADS)

Lotfi, Said

Nous avons etudie les molecules de furanne ( rm C_4H_4O) et de thiophene (rm C_4H_4O) au moyen de la spectroscopie de diffusion inelastique d'electrons. Pour (rm C_4H_4O), les spectres realises dans differentes conditions d'energie d'impact et d'angle de diffusion contiennent des singularites ou des families de pics correspondant a: (1) des vibrations de l'etat fondamental dans le domaine 0-0.5 eV, (2) des etats triplets ^3 B_1 et ^3 A_1 qui dominent la region 3-5.5 eV, (3) des etats de valences, entre 5 et 10 eV, dont certains son accompagnes de progressions vibrationnelles, soit ~ A _1B_2, ~ B ^1A_1 et ~ C ^1A_1, (4) toujours entre 5 et 10 eV, deux series de Ryhdberg (rm 1a_2to nda_2 et rm 1a_2to npb_2) qui convergent vers la premiere limite d'ionisation de la molecule, avec une progression vibrationnelle associee au mdoe nu_4 pour la seconde, et une troisieme serie (rm 2b_1to nsa_1 ) convergent vers la seconde limite d'ionisation accompagnee de la progression de mode nu _1. Pour rm C_4H_4S, nos spectres presentent les memes etats de vibration et les memes etats triplets que pour rm C_4H _4O. Nous avons releve egalement, dans la region de 5 a 10 eV, des etats de valence ~ A ^1A_1 (ou ~ A ^1B_2), ~ B ^1A_1 (ou ~ B ^1B _2) et ~ C ^1A_1 (ou ~ C ^1B_2). Pour la premiere fois, par la spectroscopie de diffusion inelastique d'electrons, de nombreux pics ont ete identifies et attribues, dans le cadre de ce travail. Il s'agit, notamment, des etats de vibration de l'etat electronique fondamental de ces molecules et egalement de certains etats de Rydberg dans le cas du furanne.

Collisionless absorption of intense laser radiation in nanoplasma

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

Zaretsky, D F; Korneev, Philipp A; Popruzhenko, Sergei V

The rate of linear collisionless absorption of an electromagnetic radiation in a nanoplasma - classical electron gas localised in a heated ionised nanosystem (thin film or cluster) irradiated by an intense femtosecond laser pulse - is calculated. The absorption is caused by the inelastic electron scattering from the self-consistent potential of the system in the presence of a laser field. The effect proves to be appreciable because of a small size of the systems. General expressions are obtained for the absorption rate as a function of the parameters of the single-particle self-consistent potential and electron distribution function in the regimemore » linear in field. For the simplest cases, where the self-consistent field is created by an infinitely deep well or an infinite charged plane, closed analytic expressions are obtained for the absorption rate. Estimates presented in the paper demonstrate that, over a wide range of the parameters of laser pulses and nanostructures, the collisionless mechanism of heating electron subsystem can be dominant. The possibility of experimental observation of the collisionless absorption of intense laser radiation in nanoplasma is also discussed. (interaction of laser radiation with matter)« less

Potential errors in relative dose measurements in kilovoltage photon beams due to polarity effects in plane-parallel ionisation chambers

NASA Astrophysics Data System (ADS)

Dowdell, S.; Tyler, M.; McNamara, J.; Sloan, K.; Ceylan, A.; Rinks, A.

2016-12-01

Plane-parallel ionisation chambers are regularly used to conduct relative dosimetry measurements for therapeutic kilovoltage beams during commissioning and routine quality assurance. This paper presents the first quantification of the polarity effect in kilovoltage photon beams for two types of commercially available plane-parallel ionisation chambers used for such measurements. Measurements were performed at various depths along the central axis in a solid water phantom and for different field sizes at 2 cm depth to determine the polarity effect for PTW Advanced Markus and Roos ionisation chambers (PTW-Freiburg, Germany). Data was acquired for kilovoltage beams between 100 kVp (half-value layer (HVL)  =  2.88 mm Al) and 250 kVp (HVL  =  2.12 mm Cu) and field sizes of 3-15 cm diameter for 30 cm focus-source distance (FSD) and 4  ×  4 cm2-20  ×  20 cm2 for 50 cm FSD. Substantial polarity effects, up to 9.6%, were observed for the Advanced Markus chamber compared to a maximum 0.5% for the Roos chamber. The magnitude of the polarity effect was observed to increase with field size and beam energy but was consistent with depth. The polarity effect is directly influenced by chamber design, with potentially large polarity effects for some plane-parallel ionisation chambers. Depending on the specific chamber used, polarity corrections may be required for output factor measurements of kilovoltage photon beams. Failure to account for polarity effects could lead to an incorrect dose being delivered to the patient.

Do nuisance alarms decrease functionality of smoke alarms near the kitchen? Findings from a randomised controlled trial.

PubMed

Yang, Jingzhen; Jones, Michael P; Cheng, Gang; Ramirez, Marizen; Taylor, Craig; Peek-Asa, Corinne

2011-06-01

Many home fires begin in the kitchen. Kitchen smoke alarms are more likely to produce nuisance alarms, but few previous studies have examined the role of alarm sensor and battery types on the functionality of smoke alarms located nearest to the kitchen. Data were analysed from a 2×2 factorial randomised controlled trial conducted in rural Iowa homes (n=628). Enrolled households were randomly assigned into one of four smoke alarm/battery combinations: ionisation/zinc, ionisation/lithium, photoelectric/zinc and photoelectric/lithium. Alarm functionality was determined using a smoke test. Alarm type and battery type were compared using an intent-to-treat analysis. Logistic regression was used to identify factors that might impact the functionality of smoke alarms located nearest to the kitchen 42 months after installation. Photoelectric alarms with lithium batteries had the highest rate of functionality (90.2%), whereas ionisation alarms with carbon/zinc batteries had the lowest (76.5%). Forty-two months following installation, 6.4% more of photoelectric alarms were functional than ionisation alarms, and 7.9% more of alarms with lithium batteries were functional than those with carbon/zinc batteries. Logistic regression revealed that when the indicator of nuisance alarms was included, the effect of alarm type became statistically insignificant and ionisation alarms were less likely to be functional at 42 months, partly due to increased nuisance alarms. Alarm type is an important consideration for certain locations. Photoelectric alarms may be more appropriate for installation nearest to the kitchen despite their increased cost. These findings can help guide consumer choices to increase protection against home fire-related injuries and deaths.

Full Ionisation In Binary-Binary Encounters With Small Positive Energies

NASA Astrophysics Data System (ADS)

Sweatman, W. L.

2006-08-01

Interactions between binary stars and single stars and binary stars and other binary stars play a key role in the dynamics of a dense stellar system. Energy can be transferred between the internal dynamics of a binary and the larger scale dynamics of the interacting objects. Binaries can be destroyed and created by the interaction. In a binary-binary encounter, full ionisation occurs when both of the binary stars are destroyed in the interaction to create four single stars. This is only possible when the total energy of the system is positive. For very small energies the probability of this occurring is very low and it tends towards zero as the total energy tends towards zero. Here the case is considered for which all the stars have equal masses. An asymptotic power law is predicted relating the probability of full ionisation with the total energy when this latter quantity is small. The exponent, which is approximately 2.31, is compared with the results from numerical scattering experiments. The theoretical approach taken is similar to one used previously in the three-body problem. It makes use of the fact that the most dramatic changes in scale and energies of a few-body system occur when its components pass near to a central configuration. The position, and number, of these configurations is not known for the general four-body problem, however, with equal masses there are known to be exactly five different cases. Separate consideration and comparison of the properties of orbits close to each of these five central configurations enables the prediction of the form of the cross-section for full ionisation for the case of small positive total energy. This is the relation between total energy and the probability of total ionisation described above.

Occupational exposure to ionising radiation and mortality among workers of the former Spanish Nuclear Energy Board.

PubMed Central

Rodríguez Artalejo, F; Castaño Lara, S; de Andrés Manzano, B; García Ferruelo, M; Iglesias Martín, L; Calero, J R

1997-01-01

OBJECTIVES: Firstly, to ascertain whether mortality among workers of the former Spanish Nuclear Energy Board (Junta de Energía Nuclear-JEN) was higher than that for the Spanish population overall; and secondly, if this were so, to ascertain whether this difference was associated with exposure to ionising radiation. METHODS: A retrospective follow up of a cohort of 5657 workers was carried out for the period 1954-92. Cohort mortality was compared with that for the Spanish population overall, with standardised mortality ratios (SMRs) adjusted for sex, age, and calendar period. Also, Poisson models were used to analyse mortality from lung cancer in the cohort by level of exposure to ionising radiation. RESULTS: Workers' median and mean cumulative exposures were 4.04 and 11.42 mSv, respectively. Mean annual exposure was 1.33 mSv. Excess mortality due to bone tumours was found for the cohort as a whole (six deaths observed; SMR 2.95; 95% confidence interval (95% CI) 1.08 to 6.43). Among miners, excess mortality was found for non-malignant respiratory diseases (SMR 2.94; 95% CI 2.27 to 3.75), and for lung cancer bordering on statistical significance (SMR 1.50; 95% CI 0.96 to 2.23; P = 0.055). Relative risks of dying of lung cancer from ionising radiation in the dose quartiles 2, 3, and 4 versus the lowest dose quartile, were 1.00, 1.64, and 0.94, respectively. CONCLUSIONS: Excess mortality from lung cancer was found among JEN miners. Nevertheless, no clear relation was found between mortality from lung cancer and level of exposure to ionising radiation in the JEN cohort. Continued follow up of the cohort is required to confirm excess mortality from bone tumours. PMID:9155782

Occupational exposure to ionising radiation and mortality among workers of the former Spanish Nuclear Energy Board.

PubMed

Rodríguez Artalejo, F; Castaño Lara, S; de Andrés Manzano, B; García Ferruelo, M; Iglesias Martín, L; Calero, J R

1997-03-01

Firstly, to ascertain whether mortality among workers of the former Spanish Nuclear Energy Board (Junta de Energía Nuclear-JEN) was higher than that for the Spanish population overall; and secondly, if this were so, to ascertain whether this difference was associated with exposure to ionising radiation. A retrospective follow up of a cohort of 5657 workers was carried out for the period 1954-92. Cohort mortality was compared with that for the Spanish population overall, with standardised mortality ratios (SMRs) adjusted for sex, age, and calendar period. Also, Poisson models were used to analyse mortality from lung cancer in the cohort by level of exposure to ionising radiation. Workers' median and mean cumulative exposures were 4.04 and 11.42 mSv, respectively. Mean annual exposure was 1.33 mSv. Excess mortality due to bone tumours was found for the cohort as a whole (six deaths observed; SMR 2.95; 95% confidence interval (95% CI) 1.08 to 6.43). Among miners, excess mortality was found for non-malignant respiratory diseases (SMR 2.94; 95% CI 2.27 to 3.75), and for lung cancer bordering on statistical significance (SMR 1.50; 95% CI 0.96 to 2.23; P = 0.055). Relative risks of dying of lung cancer from ionising radiation in the dose quartiles 2, 3, and 4 versus the lowest dose quartile, were 1.00, 1.64, and 0.94, respectively. Excess mortality from lung cancer was found among JEN miners. Nevertheless, no clear relation was found between mortality from lung cancer and level of exposure to ionising radiation in the JEN cohort. Continued follow up of the cohort is required to confirm excess mortality from bone tumours.

Relativistic semiempirical-core-potential calculations in Ca+,Sr+ , and Ba+ ions on Lagrange meshes

NASA Astrophysics Data System (ADS)

Filippin, Livio; Schiffmann, Sacha; Dohet-Eraly, Jérémy; Baye, Daniel; Godefroid, Michel

2018-01-01

Relativistic atomic structure calculations are carried out in alkaline-earth-metal ions using a semiempirical-core-potential approach. The systems are partitioned into frozen-core electrons and an active valence electron. The core orbitals are defined by a Dirac-Hartree-Fock calculation using the grasp2k package. The valence electron is described by a Dirac-like Hamiltonian involving a core-polarization potential to simulate the core-valence electron correlation. The associated equation is solved with the Lagrange-mesh method, which is an approximate variational approach having the form of a mesh calculation because of the use of a Gauss quadrature to calculate matrix elements. Properties involving the low-lying metastable D 3 /2 ,5 /2 2 states of Ca+, Sr+, and Ba+ are studied, such as polarizabilities, one- and two-photon decay rates, and lifetimes. Good agreement is found with other theory and observation, which is promising for further applications in alkalilike systems.

Low Energy Electrons as Probing Tool for Astrochemical Reaction Mechanisms

NASA Astrophysics Data System (ADS)

Hendrik Bredehöft, Jan; Swiderek, Petra; Hamann, Thorben

The complexity of molecules found in space varies widely. On one end of the scale of molecular complexity is the hydrogen molecule H2 . Its formation from H atoms is if not understood than at least thoroughly investigated[1]. On the other side of said spectrum the precursors to biopolymers can be found, such as amino acids[2,3], sugars[4], lipids, cofactors[5], etc, and the kerogen-like organic polymer material in carbonaceous meteorites called "black stuff" [6]. These have also received broad attention in the last decades. Sitting in the middle between these two extremes are simple molecules that are observed by radio astronomy throughout the Universe. These are molecules like methane (CH4 ), methanol (CH3 OH), formaldehyde (CH2 O), hydrogen cyanide (HCN), and many many others. So far more than 40 such species have been identified.[7] They are often used in laboratory experiments to create larger complex molecules on the surface of simulated interstellar dust grains.[2,8] The mechanisms of formation of these observed starting materials for prebiotic chemistry is however not always clear. Also the exact mechanisms of formation of larger molecules in photochemical experiments are largely unclear. This is mostly due to the very complex chemistry going on which involves many different radicals and ions. The creation of radicals and ions can be studied in detail in laboratory simulations. They can be created in a setup mimicking interstellar grain chemistry using slow electrons. There is no free electron radiation in space. What can be found though is a lot of radiation of different sorts. There is electromagnetic radiation (UV light, X-Rays, rays, etc.) and there is particulate radiation as well in the form of high energy ions. This radiation can provide energy that drives chemical reactions in the ice mantles of interstellar dust grains. And while the multitude of different kinds of radiation might be a little confusing, they all have one thing in common: Upon hitting anything solid, they will create secondary electrons. These electrons are in fact the energy source needed to run interstellar chemistry. Slow electrons can in principle trigger three different primary processes in a molecule. The first is ionisation by electron impact (EI), which is used to create ions in mass spectrometry. In this process an electron hits a molecule M and knocks an outer shell electron to create a cation. This occurs whenever the electron energy is above the ionisation threshold of the target molecule. Another possibility is the attachment of a slow electron to a molecule to create an anion. This can occur at sharply defined resonance energies specific to the molecule M. A third possibility is to excite the molecule M to a neutral state M∗ .[9] M + e- -> M+ + 2 e- (Electron impact ionisation) M + e- -> M- (Electron attachment) M + e- -> M∗ + e- (Neutral excitation) The created states M+ , M- and M∗ are usually not stable states so they very often dissociate into ions and radicals, which can then further react with neighbouring molecules to form new chemical species. In these chemical reactions some products can be formed even at very low temperatures that would otherwise require a lot of thermal energy and/or special catalysts. The formation of ethylamine from ethylene and ammonia by hydroamination is one such example. The reaction is characterized by a high activation barrier caused by the electronic repulsion between the electron density rich C=C double bound and the lone pair electrons of ammo-nia. The reaction also has a highly negative entropy, so it becomes less favourable at higher temperatures, ruling out heat as a means to facilitate the reaction. In classical chemistry this problem is overcome by the use of catalysts. Unfortunately there still is no general catalyst for this kind of reaction. Recently it was shown that the reaction can efficiently be induced by low energy electron radiation.[10] One of the reaction partners is ionized and the reaction barrier is drastically lowered so that instant reaction between ethylene and ammonia occurs. This hydroamination reaction by means of low energy electrons or an analogous reaction mechanism could also help in clarifying the formation of the intermediate molecules observed in interstellar dust clouds. The formation for example of formamide from CO and NH3 could be facilitated by a very similar process. Formamide is a very interesting molecule in Astrochemistry as well as Astrobiology, since it is the smallest molecule with a peptide bond, the kind of bond that forms proteins from amino acids. Such ionisation-driven reactions leading to the formation of larger molecules appear to be more generally relevant than previously thought as will be discussed in this contribution. [1] Cazaux S., Caselli P., Tielens A.G.G.M., Le Bourlot J., Walmsley M: Molecular Hydrogen formation on grain surfaces. J of Phys. Conf. Series 6 (2005), 155-160 [2] Muñoz Caro G.M., Meierhenrich U.J., Schutte U.W., Barbier B., Arcones Segovia A., Rosen-n bauer H., Thiemann W.H.-P., Brack A. and Greenberg J.M.: Amino acids from ultraviolet irradiation of interstellar ice analogues. Nature 416 (2002), 403-406 [3] Bredehüft, J.H., Meierhenrich U.: Amino acid structures from UV irradiation of simulated interstellar ices. in Takenaka N. (ed): Recent Developments of Chemistry and Photochemistry in Ice. Transworld Research Network, Kerala, India (2008) [4] Cooper G., Kimmich N., Belisle W., Sarinana J., Brabham K. and Garrel L.: Carbonaceous meteorites as a source of sugar-related organic compounds for the early Earth. Nature 414 (2001), 879-883 [5] Meierhenrich U.J., Muñoz Caro G.M., Schutte W.A., Thiemann W.H.-P. Barbier B., Brack n A.: Precursors of biological cofactors from ultraviolet irradiation of circumstellar/interstellar ice analogs. Chemistry -A European Journal 11 (2005), 4895-4900 [6] Matthews C.N. and Minard R.D.: Hydrogen cyanide polymers, comets and the origin of life. Faraday Discuss., 133 (2006), 393-401 [7] Snow T.P. and Bierbaum V.M.: Ion chemistry in the interstellar medium. Ann. Rev. Analyt. Chem. 1 (2008), 229-259. [8] Nuevo M., Meierhenrich U.J., Muñoz Caro G.M., Dartois E., d'Hendecourt L., Deboffle D., n Auger G., Blanot D., Bredehüft J.H. and Nahon L.: The effects of circularly polarized light on amino acid enantiomers produced by the UV irradiation of interstellar ice analogs. AA 457 (2006), 741-751 [9] Shimamura I and Takayanagi K. (eds): Electron-Molecule Collisions. Plenum Press, New York, USA (1984) [10] Hamann T., Bühler E., Swiderek P.: Low-energy-electron-induced hydroamination of an alkene. Angew Chem Int Ed Engl. 48(25) (2009), 4643-4645.

Positron annihilation induced Auger electron emission

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

Weiss, A.; Jibaly, M.; Lei, Chun

1988-01-01

We report on measurements of Auger electron emission from Cu and Fe due to core hole excitations produced by the removal of core electrons by matter-antimatter annihilation. Estimates are developed of the probability of positrons annihilating with a 3p electron in these materials. Several important advantages of Positron annihilation induced Auger Electron Spectroscopy (PAES) for surface analysis are suggested. 10 refs., 2 figs.

The nature of the ionised nebula surrounding the red supergiant W26

NASA Astrophysics Data System (ADS)

Wesson, Roger

2015-08-01

The red supergiant W26 in the massive star cluster Westerlund 1 is surrounded by a compact ionised nebula. This is unique among RSGs, and the excitation mechanism of the nebula is not yet known - it may be ionised by an unseen compact companion, or by a nearby blue supergiant. We present new observations of the nebula: high resolution spatially resolved spectra taken with FLAMES at the VLT show that the nebula is a ring, with velocities consistent with that expected for red supergiant ejecta, and ruling out the possibility of a Luminous Blue Variable-type eruption preceding the RSG phase as the origin of the nebula. A triangular patch of nebulosity outside the ring appears to be associated with W26, and may be material stripped from the expanding ring by the cumulative cluster wind and radiation field.

Core–shell interaction and its impact on the optical absorption of pure and doped core-shell CdSe/ZnSe nanoclusters

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

Wang, Xinqin; Cui, Yingqi; Zeng, Qun

The structural, electronic, and optical properties of core-shell nanoclusters, (CdSe){sub x}@(CdSe){sub y} and their Zn-substituted complexes of x = 2–4 and y = 16–28, were studied with density functional theory calculations. The substitution was applied in the cores, the shells, and/or the whole clusters. All these clusters are characterized by their core-shell structures in which the core-shell interaction was found different from those in core or in shell, as reflected by their bondlengths, volumes, and binding energies. Moreover, the core and shell combine together to compose a new cluster with electronic and optical properties different from those of separated individuals,more » as reflected by their HOMO-LUMO gaps and optical absorptions. With the substitution of Cd by Zn, the structural, electronic, and optical properties of clusters change regularly. The binding energy increases with Zn content, attributed to the strong Zn–Se bonding. For the same core/shell, the structure with a CdSe shell/core has a narrower gap than that with a ZnSe shell/core. The optical absorption spectra also change accordingly with Zn substitution. The peaks blueshift with increasing Zn concentration, accompanying with shape variations in case large number of Cd atoms are substituted. Our calculations reveal the core-shell interaction and its influence on the electronic and optical properties of the core-shell clusters, suggesting a composition–structure–property relationship for the design of core-shell CdSe and ZnSe nanoclusters.« less

Hollow Electron Beam Collimation for HL-LHC - Effects on the Beam Core

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

Fitterer, M.; Stancari, G.; Valishev, A.

2017-06-13

Collimation with hollow electron beams is currently one of the most promising concepts for active halo control in the High Luminosity Large Hadron Collider (HL-LHC). To ensure the successful operation of the hollow beam collimator the unwanted effects on the beam core, which might arise from the operation with a pulsed electron beam, must be minimized. This paper gives a summary of the effect of hollow electron lenses on the beam core in terms of sources, provides estimates for HL-LHC and discusses the possible mitigation methods.

Temperature dependent electron delocalization in CdSe/CdS type-I core-shell systems: An insight from scanning tunneling spectroscopy

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

Kundu, Biswajit; Chakrabarti, Sudipto; Pal, Amlan J., E-mail: sspajp@iacs.res.in

2016-03-14

Core-shell nanocrystals having a type-I band-alignment confine charge carriers to the core. In this work, we choose CdSe/CdS core-shell nano-heterostructures that evidence confinement of holes only. Such a selective confinement occurs in the core-shell nanocrystals due to a low energy-offset of conduction band (CB) edges resulting in delocalization of electrons and thus a decrease in the conduction band-edge. Since the delocalization occurs through a thermal assistance, we study temperature dependence of selective delocalization process through scanning tunneling spectroscopy. From the density of states (DOS), we observe that the electrons are confined to the core at low temperatures. Above a certainmore » temperature, they become delocalized up to the shell leading to a decrease in the CB of the core-shell system due to widening of quantum confinement effect. With holes remaining confined to the core due to a large offset in the valence band (VB), we record the topography of the core-shell nanocrystals by probing their CB and VB edges separately. The topographies recorded at different temperatures representing wave-functions of electrons and holes corresponded to the results obtained from the DOS spectra. The results evidence temperature-dependent wave-function delocalization of one-type of carriers up to the shell layer in core-shell nano-heterostructures.« less

Time-dependent Schrödinger equation for molecular core-hole dynamics

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

Picón, A.

2017-02-01

X-ray spectroscopy is an important tool for the investigation of matter. X rays primarily interact with inner-shell electrons, creating core (inner-shell) holes that will decay on the time scale of attoseconds to a few femtoseconds through electron relaxations involving the emission of a photon or an electron. Furthermore, the advent of femtosecond x-ray pulses expands x-ray spectroscopy to the time domain and will eventually allow the control of core-hole population on time scales comparable to core-vacancy lifetimes. For both cases, a theoretical approach that accounts for the x-ray interaction while the electron relaxations occur is required. We describe a time-dependentmore » framework, based on solving the time-dependent Schrödinger equation, that is suitable for describing the induced electron and nuclear dynamics.« less

Scattering characteristics of electromagnetic waves in time and space inhomogeneous weakly ionized dusty plasma sheath

NASA Astrophysics Data System (ADS)

Guo, Li-xin; Chen, Wei; Li, Jiang-ting; Ren, Yi; Liu, Song-hua

2018-05-01

The dielectric coefficient of a weakly ionised dusty plasma is used to establish a three-dimensional time and space inhomogeneous dusty plasma sheath. The effects of scattering on electromagnetic (EM) waves in this dusty plasma sheath are investigated using the auxiliary differential equation finite-difference time-domain method. Backward radar cross-sectional values of various parameters, including the dust particle radius, charging frequency of dust particles, dust particle concentration, effective collision frequency, rate of the electron density variation with time, angle of EM wave incidence, and plasma frequency, are analysed within the time and space inhomogeneous plasma sheath. The results show the noticeable effects of dusty plasma parameters on EM waves.

Response of dosemeters in the radiation field generated by a TW-class laser system.

PubMed

Olšovcová, V; Klír, D; Krása, J; Krůs, M; Velyhan, A; Zelenka, Z; Rus, B

2014-10-01

State-of-the-art laser systems are able to generate ionising radiation of significantly high energies by focusing ultra-short and intense pulses onto targets. Thus, measures ensuring the radiation protection of both working personnel and the general public are required. However, commercially available dosemeters are primarily designed for measurement in continuous fields. Therefore, it is important to explore their response to very short pulses. In this study, the responses of dosemeters in a radiation field generated by iodine high-power and Ti:Sapphire laser systems are examined in proton and electron acceleration experiments. Within these experiments, electron bunches of femtosecond pulse duration and 100-MeV energy and proton bunches with sub-nanosecond pulse duration and energy of several megaelectronvolts were generated in single-shot regimes. Responses of typical detectors (TLD, films and electronic personal dosemeter) were analysed and compared. Further, a first attempt was carried out to characterise the radiation field generated by TW-class laser systems. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Dose rate effect of pulsed electron beam on micronucleus frequency in human peripheral blood lymphocytes.

PubMed

Acharya, Santhosh; Sanjeev, Ganesh; Bhat, Nagesh N; Narayana, Yerol

2010-03-01

The micronucleus assay in human peripheral blood lymphocytes is a sensitive indicator of radiation damage and could serve as a biological dosimeter in evaluating suspected overexposure to ionising radiation. Micronucleus (MN) frequency as a measure of chromosomal damage has also extensively been employed to quantify the effects of radiation dose rate on biological systems. Here we studied the effects of 8 MeV pulsed electron beam emitted by Microtron electron accelerator on MN induction at dose rates between 35 Gy min-1 and 352.5 Gy min-1. These dose rates were achieved by varying the pulse repetition rate (PRR). Fricke dosimeter was employed to measure the absorbed dose at different PRR and to ensure uniform dose distribution of the electron beam. To study the dose rate effect, blood samples were irradiated to an absorbed dose of (4.7+/-0.2) Gy at different rates and cytogenetic damage was quantified using the micronucleus assay. The obtained MN frequency showed no dose rate dependence within the studied dose rate range. Our earlier dose effect study using 8 MeV electrons revealed that the response of MN was linear-quadratic. Therefore, in the event of an accident, dose estimation can be made using linear-quadratic dose response parameters, without adding dose rate as a correction factor.

Analysis of oak tannins by liquid chromatography-electrospray ionisation mass spectrometry.

PubMed

Mämmelä, P; Savolainen, H; Lindroos, L; Kangas, J; Vartiainen, T

2000-09-01

Extractable tannins were analysed by liquid chromatography-electrospray ionisation mass spectrometry in two oak species, North American white oak (Quercus alba) and European red oak (Quercus robur). They mainly included various glucose gallic and ellagic acid esters. The structures were partially determined, and they included grandinin/roburin E, castalagin/vescalagin, gallic acid, valoneic acid bilactone, monogalloyl glucose, digalloyl glucose, trigalloyl glucose, ellagic acid rhamnose, quercitrin and ellagic acid.

Determination of acrylamide in coffee and chocolate by pressurised fluid extraction and liquid chromatography-tandem mass spectrometry.

PubMed

Pardo, O; Yusà, V; Coscollà, C; León, N; Pastor, A

2007-07-01

A selective and sensitive procedure has been developed and validated for the determination of acrylamide in difficult matrices, such as coffee and chocolate. The proposed method includes pressurised fluid extraction (PFE) with acetonitrile, florisil clean-up purification inside the PFE extraction cell and detection by liquid chromatography (LC) coupled to atmospheric pressure ionisation in positive mode tandem mass spectrometry (APCI-MS-MS). Comparison of ionisation sources (atmospheric pressure chemical ionisation (APCI), atmospheric pressure photoionization (APPI) and the combined APCI/APPI) and clean-up procedures were carried out to improve the analytical signal. The main parameters affecting the performance of the different ionisation sources were previously optimised using statistical design of experiments (DOE). PFE parameters were also optimised by DOE. For quantitation, an isotope dilution approach was used. The limit of quantification (LOQ) of the method was 1 microg kg(-1) for coffee and 0.6 microg kg(-1) for chocolate. Recoveries ranged between 81-105% in coffee and 87-102% in chocolate. The accuracy was evaluated using a coffee reference test material FAPAS T3008. Using the optimised method, 20 coffee and 15 chocolate samples collected from Valencian (Spain) supermarkets, were investigated for acrylamide, yielding median levels of 146 microg kg(-1) in coffee and 102 microg kg(-1) in chocolate.

VLT/MUSE illuminates possible channels for Lyman continuum escape in the halo of SBS 0335-52E

NASA Astrophysics Data System (ADS)

Herenz, E. C.; Hayes, M.; Papaderos, P.; Cannon, J. M.; Bik, A.; Melinder, J.; Östlin, G.

2017-10-01

We report on the discovery of ionised gas filaments in the circum-galactic halo of the extremely metal-poor compact starburst SBS 0335-052E in a 1.5 h integration with the MUSE integral-field spectrograph. We detect these features in Hα and [O III] emission down to a limiting surface-brightness of 5 × 10-19 erg s-1 cm-2 arcsec-2. The filaments have projected diameters of 2.1 kpc and extend more than 9 kpc to the north and north-west from the main stellar body. We also detect extended nebular He II λ4686 emission that brightens towards the north-west at the rim of a starburst driven super-shell. We also present a velocity field of the ionised gas. The filaments appear to connect seamlessly in velocity space to the kinematical disturbances caused by the shell. Similar to high-z star-forming galaxies, the ionised gas in this galaxy is dispersion dominated. We argue that the filaments were created via feedback from the starburst and that these ionised structures in the halo may act as escape channels for Lyman continuum radiation in this gas-rich system. Based on observations collected at the European Organisation for Astronomical Research in the Southern Hemisphere under ESO programme 096.B-0690.

Erich Regener and the ionisation maximum of the atmosphere

NASA Astrophysics Data System (ADS)

Carlson, P.; Watson, A. A.

2014-12-01

In the 1930s the German physicist Erich Regener (1881-1955) did important work on the measurement of the rate of production of ionisation deep under water and in the atmosphere. Along with one of his students, Georg Pfotzer, he discovered the altitude at which the production of ionisation in the atmosphere reaches a maximum, often, but misleadingly, called the Pfotzer maximum. Regener was one of the first to estimate the energy density of cosmic rays, an estimate that was used by Baade and Zwicky to bolster their postulate that supernovae might be their source. Yet Regener's name is less recognised by present-day cosmic ray physicists than it should be, largely because in 1937 he was forced to take early retirement by the National Socialists as his wife had Jewish ancestors. In this paper we briefly review his work on cosmic rays and recommend an alternative naming of the ionisation maximum. The influence that Regener had on the field through his son, his son-in-law, his grandsons and his students, and through his links with Rutherford's group in Cambridge, is discussed in an appendix. Regener was nominated for the Nobel Prize in Physics by Schrödinger in 1938. He died in 1955 at the age of 73.

Electron temperatures within magnetic clouds between 2 and 4 AU: Voyager 2 observations

NASA Astrophysics Data System (ADS)

Sittler, E. C.; Burlaga, L. F.

1998-08-01

We have performed an analysis of Voyager 2 plasma electron observations within magnetic clouds between 2 and 4 AU identified by Burlaga and Behannon [1982]. The analysis has been confined to three of the magnetic clouds identified by Burlaga and Behannon that had high-quality data. The general properties of the plasma electrons within a magnetic cloud are that (1) the moment electron temperature anticorrelates with the electron density within the cloud, (2) the ratio Te/Tp tends to be >1, and (3) on average, Te/Tp~7.0. All three results are consistent with previous electron observations within magnetic clouds. Detailed analyses of the core and halo populations within the magnetic clouds show no evidence of either an anticorrelation between the core temperature TC and the electron density Ne or an anticorrelation between the halo temperature TH and the electron density. Within the magnetic clouds the halo component can contribute more than 50% of the electron pressure. The anticorrelation of Te relative to Ne can be traced to the density of the halo component relative to the density of the core component. The core electrons dominate the electron density. When the density goes up, the halo electrons contribute less to the electron pressure, so we get a lower Te. When the electron density goes down, the halo electrons contribute more to the electron pressure, and Te goes up. We find a relation between the electron pressure and density of the form Pe=αNeγ with γ~0.5.

Space science applications for conducting polymer particles: synthetic mimics for cosmic dust and micrometeorites.

PubMed

Fielding, Lee A; Hillier, Jon K; Burchell, Mark J; Armes, Steven P

2015-12-11

Over the last decade or so, a range of polypyrrole-based particles have been designed and evaluated for space science applications. This electrically conductive polymer enables such particles to efficiently acquire surface charge, which in turn allows their acceleration up to the hypervelocity regime (>1 km s(-1)) using a Van de Graaff accelerator. Either organic latex (e.g. polystyrene or poly(methyl methacrylate)) or various inorganic materials (such as silica, olivine or pyrrhotite) can be coated with polypyrrole; these core-shell particles are useful mimics for understanding the hypervelocity impact ionisation behaviour of micro-meteorites (a.k.a. cosmic dust). Impacts on metal targets at relatively low hypervelocities (<10 km s(-1)) generate ionic plasma composed mainly of molecular fragments, whereas higher hypervelocities (>10 km s(-1)) generate predominately atomic species, since many more chemical bonds are cleaved if the particles impinge with higher kinetic energy. Such fundamental studies are relevant to the calibration of the cosmic dust analyser (CDA) onboard the Cassini spacecraft, which was designed to determine the chemical composition of Saturn's dust rings. Inspired by volcanism observed for one of the Jupiter's moons (Io), polypyrrole-coated sulfur-rich latexes have also been designed to help space scientists understand ionisation spectra originating from sulfur-rich dust particles. Finally, relatively large (20 μm diameter) polypyrrole-coated polystyrene latexes have proven to be useful for understanding the extent of thermal ablation of organic projectiles when fired at ultralow density aerogel targets at up to 6.1 km s(-1) using a Light Gas Gun. In this case, the sacrificial polypyrrole overlayer simply provides a sensitive spectroscopic signature (rather than a conductive overlayer), and the scientific findings have important implications for the detection of organic dust grains during the Stardust space mission.

The complexity of the coronal line region in AGNs: Gas-jet interactions and outflows revealed by NIR spectroscopy

NASA Astrophysics Data System (ADS)

Rodríguez-Ardila, Alberto; Prieto, Almudena; Mazzalay, Ximena

2016-08-01

Apart from the classical broad line region (BLR) at small core distances, and the extended classical narrow-line region (NLR), a subset of active galactic nuclei (AGN) show, in their spectra, lines from very highly ionised atoms, known as Coronal lines (CLs). The precise nature and origin of these CLs remain uncertain. Advances on this matter include the determination of the size and morphology of the CLR by means of optical HST and ground-based AO imaging/spectroscopy in a few AGNs. The results indicate CLRs with sizes varying from compact (~30 pc) to extended (~200 pc) emission and aligned preferentially with the direction of the lower ionisation cones seen in these sources. In this talk, we present results of a pioneering work aimed at studying the CLR in the near-infrared region on a selected sample of nearby AGNs. The excellent angular resolution of the data allowed us to resolve and map the extension of the coronal line gas and compare it to that emitting low- and mid-ionization lines. In most cases, the very good match between the radio emission and the CLR suggest that at least part of the high-ionization gas is jet-driven. Results from photoionization models where the central engine is the only source of energy input strongly fail at reproducing the observed line ratios, mainly at distances larger than 60 pc from the centre. We discuss here other processes that should be at work to enhance this energetic emission and suggest that the presence of coronal lines in AGNs is an unambiguous signature of feedback processes in these sources.

The VLT-FLAMES Tarantula Survey. XVII. Physical and wind properties of massive stars at the top of the main sequence

NASA Astrophysics Data System (ADS)

Bestenlehner, J. M.; Gräfener, G.; Vink, J. S.; Najarro, F.; de Koter, A.; Sana, H.; Evans, C. J.; Crowther, P. A.; Hénault-Brunet, V.; Herrero, A.; Langer, N.; Schneider, F. R. N.; Simón-Díaz, S.; Taylor, W. D.; Walborn, N. R.

2014-10-01

The evolution and fate of very massive stars (VMS) is tightly connected to their mass-loss properties. Their initial and final masses differ significantly as a result of mass loss. VMS have strong stellar winds and extremely high ionising fluxes, which are thought to be critical sources of both mechanical and radiative feedback in giant H ii regions. However, how VMS mass-loss properties change during stellar evolution is poorly understood. In the framework of the VLT-Flames Tarantula Survey (VFTS), we explore the mass-loss transition region from optically thin O star winds to denser WNh Wolf-Rayet star winds, thereby testing theoretical predictions. To this purpose we select 62 O, Of, Of/WN, and WNh stars, an unprecedented sample of stars with the highest masses and luminosities known. We perform a spectral analysis of optical VFTS as well as near-infrared VLT/SINFONI data using the non-LTE radiative transfer code CMFGEN to obtain both stellar and wind parameters. For the first time, we observationally resolve the transition between optically thin O star winds and optically thick hydrogen-rich WNh Wolf-Rayet winds. Our results suggest the existence of a "kink" between both mass-loss regimes, in agreement with recent Monte Carlo simulations. For the optically thick regime, we confirm the steep dependence on the classical Eddington factor Γe from previous theoretical and observational studies. The transition occurs on the main sequence near a luminosity of 106.1L⊙, or a mass of 80 ... 90 M⊙. Above this limit, we find that - even when accounting for moderate wind clumping (with fv = 0.1) - wind mass-loss rates are enhanced with respect to standard prescriptions currently adopted in stellar evolution calculations. We also show that this results in substantial helium surface enrichment. Finally, based on our spectroscopic analyses, we are able to provide the most accurate ionising fluxes for VMS known to date, confirming the pivotal role of VMS in ionising and shaping their environments. Appendices are available in electronic form at http://www.aanda.org

Band bending at the heterointerface of GaAs/InAs core/shell nanowires monitored by synchrotron X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Khanbabaee, B.; Bussone, G.; Knutsson, J. V.; Geijselaers, I.; Pryor, C. E.; Rieger, T.; Demarina, N.; Grützmacher, D.; Lepsa, M. I.; Timm, R.; Pietsch, U.

2016-10-01

Unique electronic properties of semiconductor heterostructured nanowires make them useful for future nano-electronic devices. Here, we present a study of the band bending effect at the heterointerface of GaAs/InAs core/shell nanowires by means of synchrotron based X-ray photoelectron spectroscopy. Different Ga, In, and As core-levels of the nanowire constituents have been monitored prior to and after cleaning from native oxides. The cleaning process mainly affected the As-oxides and was accompanied by an energy shift of the core-level spectra towards lower binding energy, suggesting that the As-oxides turn the nanowire surfaces to n-type. After cleaning, both As and Ga core-levels revealed an energy shift of about -0.3 eV for core/shell compared to core reference nanowires. With respect to depth dependence and in agreement with calculated strain distribution and electron quantum confinement, the observed energy shift is interpreted by band bending of core-levels at the heterointerface between the GaAs nanowire core and the InAs shell.

Revisiting the origin of satellites in core-level photoemission of transparent conducting oxides: The case of n -doped SnO2

NASA Astrophysics Data System (ADS)

Borgatti, Francesco; Berger, J. A.; Céolin, Denis; Zhou, Jianqiang Sky; Kas, Joshua J.; Guzzo, Matteo; McConville, C. F.; Offi, Francesco; Panaccione, Giancarlo; Regoutz, Anna; Payne, David J.; Rueff, Jean-Pascal; Bierwagen, Oliver; White, Mark E.; Speck, James S.; Gatti, Matteo; Egdell, Russell G.

2018-04-01

The longstanding problem of interpretation of satellite structures in core-level photoemission spectra of metallic systems with a low density of conduction electrons is addressed using the specific example of Sb-doped SnO2. Comparison of ab initio many-body calculations with experimental hard x-ray photoemission spectra of the Sn 4 d states shows that strong satellites are produced by coupling of the Sn core hole to the plasma oscillations of the free electrons introduced by doping. Within the same theoretical framework, spectral changes of the valence band spectra are also related to dynamical screening effects. These results demonstrate that, for the interpretation of electron correlation features in the core-level photoelectron spectra of such narrow-band materials, going beyond the homogeneous electron gas electron-plasmon coupling model is essential.

Effective homogeneity of the exchange-correlation and non-interacting kinetic energy functionals under density scaling.

PubMed

Borgoo, Alex; Teale, Andrew M; Tozer, David J

2012-01-21

Correlated electron densities, experimental ionisation potentials, and experimental electron affinities are used to investigate the homogeneity of the exchange-correlation and non-interacting kinetic energy functionals of Kohn-Sham density functional theory under density scaling. Results are presented for atoms and small molecules, paying attention to the influence of the integer discontinuity and the choice of the electron affinity. For the exchange-correlation functional, effective homogeneities are highly system-dependent on either side of the integer discontinuity. By contrast, the average homogeneity-associated with the potential that averages over the discontinuity-is generally close to 4/3 when the discontinuity is computed using positive affinities for systems that do bind an excess electron and negative affinities for those that do not. The proximity to 4/3 becomes increasingly pronounced with increasing atomic number. Evaluating the discontinuity using a zero affinity in systems that do not bind an excess electron instead leads to effective homogeneities on the electron abundant side that are close to 4/3. For the non-interacting kinetic energy functional, the effective homogeneities are less system-dependent and the effect of the integer discontinuity is less pronounced. Average values are uniformly below 5/3. The study provides information that may aid the development of improved exchange-correlation and non-interacting kinetic energy functionals. © 2012 American Institute of Physics

Mass spectrometry in plant metabolomics strategies: from analytical platforms to data acquisition and processing.

PubMed

Ernst, Madeleine; Silva, Denise Brentan; Silva, Ricardo Roberto; Vêncio, Ricardo Z N; Lopes, Norberto Peporine

2014-06-01

Covering: up to 2013. Plant metabolomics is a relatively recent research field that has gained increasing interest in the past few years. Up to the present day numerous review articles and guide books on the subject have been published. This review article focuses on the current applications and limitations of the modern mass spectrometry techniques, especially in combination with electrospray ionisation (ESI), an ionisation method which is most commonly applied in metabolomics studies. As a possible alternative to ESI, perspectives on matrix-assisted laser desorption/ionisation mass spectrometry (MALDI-MS) in metabolomics studies are introduced, a method which still is not widespread in the field. In metabolomics studies the results must always be interpreted in the context of the applied sampling procedures as well as data analysis. Different sampling strategies are introduced and the importance of data analysis is illustrated in the example of metabolic network modelling.

Impact ionisation in Al0.9Ga0.1As0.08Sb0.92 for Sb-based avalanche photodiodes

NASA Astrophysics Data System (ADS)

Collins, X.; Craig, A. P.; Roblin, T.; Marshall, A. R. J.

2018-01-01

We report the impact ionisation coefficients of the quaternary alloy Al0.9Ga0.1As0.08Sb0.92 lattice matched to GaSb substrates within the field range of 150 to 550 kV cm-1 using p-i-n and n-i-p diodes of various intrinsic thicknesses. The coefficients were found with an evolutionary fitting algorithm using a non-local recurrence based multiplication model and a variable electric field profile. These coefficients indicate that an avalanche photodiode not only can be designed to be a function in the mid-wave infrared but also can be operated at lower voltages. This is due to the high magnitude of the impact ionisation coefficients at relatively low fields compared to other III-V materials typically used in avalanche multiplication regions.

Onset of carbon-carbon bonding in the Nb(5)C(y) (y = 0-6) clusters: a threshold photo-ionisation and density functional theory study.

PubMed

Dryza, Viktoras; Gascooke, Jason R; Buntine, Mark A; Metha, Gregory F

2009-02-21

We have used photo-ionisation efficiency spectroscopy to determine the ionisation potentials (IPs) of the niobium-carbide clusters, Nb(5)C(y) (y = 0-6). Of these clusters Nb(5)C(2) and Nb(5)C(3) exhibit the lowest IPs. Complementary density functional theory calculations have been performed to locate the lowest energy isomers for each cluster. By comparing the experimental IPs with those calculated for candidate isomers, the structures of the Nb(5)C(y) clusters observed in the experiment are inferred. For all these structures, the underlying Nb(5) cluster has either a "prolate" or "oblate" trigonal bipyramid geometry. Both Nb(5)C(5) and Nb(5)C(6) are shown to contain carbon-carbon bonding in the form of one and two molecular C(2) units, respectively.

Radiation-MHD Simulations of Pillars and Globules in HII Regions

NASA Astrophysics Data System (ADS)

Mackey, J.

2012-07-01

Implicit and explicit raytracing-photoionisation algorithms have been implemented in the author's radiation-magnetohydrodynamics code. The algorithms are described briefly and their efficiency and parallel scaling are investigated. The implicit algorithm is more efficient for calculations where ionisation fronts have very supersonic velocities, and the explicit algorithm is favoured in the opposite limit because of its better parallel scaling. The implicit method is used to investigate the effects of initially uniform magnetic fields on the formation and evolution of dense pillars and cometary globules at the boundaries of HII regions. It is shown that for weak and medium field strengths an initially perpendicular field is swept into alignment with the pillar during its dynamical evolution, matching magnetic field observations of the ‘Pillars of Creation’ in M16. A strong perpendicular magnetic field remains in its initial configuration and also confines the photoevaporation flow into a bar-shaped, dense, ionised ribbon which partially shields the ionisation front.

Energetic particle influences in Earth's atmosphere

NASA Astrophysics Data System (ADS)

Aplin, Karen; Harrison, R. Giles; Nicoll, Keri; Rycroft, Michael; Briggs, Aaron

2016-04-01

Energetic particles from outer space, known as galactic cosmic rays, constantly ionise the entire atmosphere. During strong solar storms, solar energetic particles can also reach the troposphere and enhance ionisation. Atmospheric ionisation generates cluster ions. These facilitate current flow in the global electric circuit, which arises from charge separation in thunderstorms driven by meteorological processes. Energetic particles, whether solar or galactic in origin, may influence the troposphere and stratosphere through a range of different mechanisms, each probably contributing a small amount. Some of the suggested processes potentially acting over a wide spatial area in the troposphere include enhanced scavenging of charged aerosol particles, modification of droplet or droplet-droplet behavior by charging, and the direct absorption of infra-red radiation by the bending and stretching of hydrogen bonds inside atmospheric cluster-ions. As well as reviewing the proposed mechanisms by which energetic particles modulate atmospheric properties, we will also discuss new instrumentation for measurement of energetic particles in the atmosphere.

NGC 6334 and NGC 6357. Insights from spectroscopy of their OB star populations

NASA Astrophysics Data System (ADS)

Russeil, D.; Adami, C.; Bouret, J. C.; Hervé, A.; Parker, Q. A.; Zavagno, A.; Motte, F.

2017-11-01

Aims: The formation of high-mass stars is still debated. For this reason, several projects such as Herschel-HOBYS are focussed on the study of the earliest phases of massive star formation. As a result, massive star-forming complexes such as NGC 6334 and NGC 6357 have been observed in the far-infrared to study their massive dense cores where massive stars are expected to form. However, to better characterise the environments of these cores we need to understand the previous massive star formation history. To better characterise the environment of these massive dense cores we study the previous high-mass star formation and how these stars act on their environments. Methods: This study is based on the spectral classification of the OB stars identified towards NGC 6334 and NGC 6357 with spectra taken with the AAOmega spectrograph on the Anglo-Australian Telescope (AAT). From the subsequent spectral classification of 109 stars across these regions we were able to evaluate the following: distance, age, mass, global star-forming efficiency (SFE), and star formation rate (SFR) of the regions. The physical conditions of the ionised gas for both complexes was also derived. Results: We confirm that NGC 6334 and NGC 6357 belong to the Saggitarius-Carina arm which, in this direction, extends from 1 kpc to 2.2 kpc. From the location of the stars in Hertzprung-Russell diagram we show that stars older than 10 Myr are broadly spread across these complexes, while younger stars are mainly located in the H II regions and stellar clusters. Our data also suggests that some of the young stars can be considered runaway stars. We evaluate a SFE of 0.019-0.007+0.008 and 0.021-0.003+0.004 and a SFR of 1.1 × 103 ± 300 M⊙ Myr-1 and 1.7 × 103 ± 400 M⊙ Myr-1 for NGC 6334 and NGC 6357, respectively. We note that 29 OB stars have X-ray counterparts, most of them belonging to NGC 6357. This suggests that molecular clouds in NGC 6357 are more impacted by X-ray flux and stellar winds than in NGC 6334. Finally, from the analysis of nebular lines (Hα, [NII], and [SII]) from spectra from several regions of ionised gas, we confirm that the filaments in NGC 6357 are shock heated. Full Tables 2 and A.1 and the normalised observed spectra displayed in Figs. B.1 are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/607/A86

VizieR Online Data Catalog: Radiative forces for stellar envelopes (Seaton, 1997)

NASA Astrophysics Data System (ADS)

Seaton, M. J.; Yan, Y.; Mihalas, D.; Pradhan, A. K.

2000-02-01

(1) Primary data files, stages.zz These files give data for the calculation of radiative accelerations, GRAD, for elements with nuclear charge zz. Data are available for zz=06, 07, 08, 10, 11, 12, 13, 14, 16, 18, 20, 24, 25, 26 and 28. Calculations are made using data from the Opacity Project (see papers SYMP and IXZ). The data are given for each ionisation stage, j. They are tabulated on a mesh of (T, Ne, CHI) where T is temperature, Ne electron density and CHI is abundance multiplier. The files include data for ionisation fractions, for each (T, Ne). The file contents are described in the paper ACC and as comments in the code add.f (2) Code add.f This reads a file stages.zz and creates a file acc.zz giving radiative accelerations averaged over ionisation stages. The code prompts for names of input and output files. The code, as provided, gives equal weights (as defined in the paper ACC) to all stages. Th weights are set in SUBROUTINE WEIGHTS, which could be changed to give any weights preferred by the user. The dependence of diffusion coefficients on ionisation stage is given by a function ZET, which is defined in SUBROUTINE ZETA. The expressions used for ZET are as given in the paper. The user can change that subroutine if other expressions are preferred. The output file contains values, ZETBAR, of ZET, averaged over ionisation stages. (3) Files acc.zz Radiative accelerations computed using add.f as provided. The user will need to run the code add.f only if it is required to change the subroutines WEIGHTS or ZETA. The contents of the files acc.zz are described in the paper ACC and in comments contained in the code add.f. (4) Code accfit.f This code gives gives radiative accelerations, and some related data, for a stellar model. Methods used to interpolate data to the values of (T, RHO) for the stellar model are based on those used in the code opfit.for (see the paper OPF). The executable file accfit.com runs accfit.f. It uses a list of files given in accfit.files (see that file for further description). The mesh used for the abundance-multiplier CHI on the output file will generally be finer than that used in the input files acc.zz. The mesh to be used is specified on a file chi.dat. For a test run, the stellar model used is given in the file 10000_4.2 (Teff=10000 K, LOG10(g)=4.2) The output file from that test run is acc100004.2. The contents of the output file are described in the paper ACC and as comments in the code accfit.f. (5) The code diff.f This code reads the output file (e.g. acc1000004.2) created by accfit.f. For any specified depth point in the model and value of CHI, it gives values of radiative accelerations, the quantity ZETBAR required for calculation of diffusion coefficients, and Rosseland-mean opacities. The code prompts for input data. It creates a file recording all data calculated. The code diff.f is intended for incorporation, as a set of subroutines, in codes for diffusion calculations. (1 data file).

Characterization of emitted light from travelling Gunn domains in Al0.08Ga0.92As alloy based Gunn devices

NASA Astrophysics Data System (ADS)

Cetinkaya, Caglar; Mutlu, Selman; Donmez, Omer; Erol, Ayse

2017-11-01

We report room temperature operation of light emitters based on Al0.08Ga0.92As Gunn devices fabricated in a simple bar geometry with wedged-shaped electrodes. High-speed I-V measurements reveal that, at the threshold of negative differential resistance region at around 3.8 kV/cm, current instabilities, i.e., Gunn oscillations, are created with a 3.8 ns period. Both edge and surface light emission are observed when the device is biased at an electric field of onset of the negative differential resistance (NDR) region at around 3.8 kV/cm and the intensity of the light exponentially increases at applied fields just above NDR threshold likewise in a conventional laser. The origin of the light emission, which has peak wavelength is around 816 nm corresponds to the band-gap energy of Al0.08Ga0.92As, is recombination of electrons and holes generated by impact ionisation process in travelling space charge domains, i.e., Gunn domains. We demonstrate that, with increasing applied field, the amplitude of Gunn domains increases which is a result of the enhanced generation of electrons and holes via impact ionisation. The intensity of the emitted light is observed to be dependent on applied electric field. At low electric fields, light intensity increases linearly then, when applied electric field reaches the onset of NDR region, increases exponentially. Besides, as applied field is increased, full width at half maximum (FWHM) of emitted light decreases to 56.5 nm from 62 nm, evolving into higher selective emission line in wavelength. The light emission from the device is determined to be independent of the polarity of the applied voltage. A comparison of surface emission and edge emission characteristics of the waveguided device are different from each other. Edge emission has higher electroluminescence intensity and better spectral purity than surface emission with well-defined longitudinal modes of Fabry-Pérot cavity, which indicates that, in such a device, lasing action arises from the recombination of excess carriers generated via impact ionisation in travelling Gunn domains. Besides, the edge emission peak of waveguided Al0.08Ga0.92As Gunn device at 4.1 kV/cm is split into two peaks with FWHM of 8 and 6 nm as well as neighbouring sharper minor peaks due to stimulated emission dominates by building-up photons in the cavity. Our results reveal that the proposed Gunn device can be a promising alternative to conventional diode lasers with its simpler design, only one type doped active region and voltage polarity-independent operation, but the duty cycle has to be chosen small enough to make the device operate at room temperature.

The bipolar jet of the symbiotic star R Aquarii: A study of its morphology using the high-resolution HST WFC3/UVIS camera

NASA Astrophysics Data System (ADS)

Melnikov, Stanislav; Stute, Matthias; Eislöffel, Jochen

2018-04-01

Context. R Aqr is a symbiotic binary system consisting of a Mira variable with a pulsation period of 387 days and a hot companion which is presumably a white dwarf with an accretion disk. This binary system is the source of a prominent bipolar gaseous outflow. Aims: We use high spatial resolution and sensitive images from the Hubble Space Telescope (HST) to identify and investigate the different structural components that form the complex morphology of the R Aqr jet. Methods: We present new high-resolution HST WFC3/UVIS narrow-band images of the R Aqr jet obtained in 2013/14 using the [OIII]λ5007, [OI]λ6300, [NII]λ6583, and Hα emission lines. These images also allow us to produce detailed maps of the jet flow in several line ratios such as [OIII]λ5007/[OI]λ6300 and [NII]λ6583/[OI]λ6300 which are sensitive to the outflow temperature and its hydrogen ionisation fraction. The new emission maps together with archival HST data are used to derive and analyse the proper motion of prominent emitting features which can be traced over 20 years with the HST observations. Results: The images reveal the fine gas structure of the jet out to distances of a few tens of arcseconds from the central region, as well as in the innermost region, within a few arcseconds around the stellar source. They reveal for the first time the straight, highly collimated jet component which can be traced to up to 900 AU in the NE direction. Images in [OIII]λ5007, [OI]λ6300, and [NII]λ6583 clearly show a helical pattern in the jet beams which may derive from the small-scale precession of the jet. The highly collimated jet is accompanied by a wide opening angle outflow which is filled by low excitation gas. The position angles of the jet structures as well as their opening angles are calculated. Our measurements of the proper motions of some prominent emission knots confirm the scenario of gas acceleration during the propagation of the outflow. Finally, we produce several detailed line ratio maps which present a mosaic combined from the large field and the PSF-subtracted inner region. Conclusions: The high signal-to-noise HST WFC3/UVIS images provide powerful tools for the study of the jet morphology and also bring detailed information about the physical jet gas conditions. The simultaneous observations of [OIII], [OI], [NII], and [SII] would allow us to measure basic parameters of the ionised gas in the R Aqr outflow such as electron density, electron temperature and hydrogen ionisation fraction, and compare them with other stellar jets.

Diamond fiber field emitters

DOEpatents

Blanchet-Fincher, Graciela B.; Coates, Don M.; Devlin, David J.; Eaton, David F.; Silzars, Aris K.; Valone, Steven M.

1996-01-01

A field emission electron emitter comprising an electrode formed of at least one diamond, diamond-like carbon or glassy carbon composite fiber, said composite fiber having a non-diamond core and a diamond, diamond-like carbon or glassy carbon coating on said non-diamond core, and electronic devices employing such a field emission electron emitter.

History and destiny of an emerging early-type galaxy. New IFU insights on the major-merger remnant NGC 7252

NASA Astrophysics Data System (ADS)

Weaver, J.; Husemann, B.; Kuntschner, H.; Martín-Navarro, I.; Bournaud, F.; Duc, P.-A.; Emsellem, E.; Krajnović, D.; Lyubenova, M.; McDermid, R. M.

2018-06-01

Context. The merging of galaxies is one key aspect in our favourite hierarchical ΛCDM Universe and is an important channel leading to massive quiescent elliptical galaxies. Understanding this complex transformational process is ongoing. Aims: We aim to study NGC 7252, which is one of the nearest major-merger galaxy remnants, observed 1 Gyr after the collision of presumably two gas-rich disc galaxies. It is therefore an ideal laboratory to study the processes inherent to the transformation of disc galaxies to ellipticals. Methods: We obtained wide-field IFU spectroscopy with the VLT-VIMOS integral-field spectrograph covering the central 50'' × 50'' of NGC 7252 to map the stellar and ionised gas kinematics, and the distribution and conditions of the ionised gas, revealing the extent of ongoing star formation and recent star formation history. Results: Contrary to previous studies, we find the inner gas disc not to be counter-rotating with respect to the stars. In addition, the stellar kinematics appear complex with a clear indication of a prolate-like rotation component which suggests a polar merger configuration. The ongoing star formation rate is 2.2 ± 0.6 M⊙ yr-1 and implies a typical depletion time of 2 Gyr given the molecular gas content. Furthermore, the spatially resolved star formation history suggests a slight radial dependence, moving outwards at later times. We confirm a large AGN-ionised gas cloud previously discovered 5 kpc south of the nucleus, and find a higher ionisation state of the ionised gas at the galaxy centre relative to the surrounding gas disc. Although the higher ionisation towards the centre is potentially degenerate within the central star forming ring, it may be associated with a low-luminosity AGN. Conclusions: Although NGC 7252 has been classified as post-starburst galaxy at the centre, the elliptical-like major-merger remnant still appears very active. A central kpc-scale gas disc has presumably re-formed quickly within the last 100 Myr after final coalescence. The disc features ongoing star formation, implying Gyr long timescale to reach the red sequence through gas consumption alone. While NGC 7252 is useful to probe the transformation from discs to ellipticals, it is not well-suited to study the transformation from blue to red at this point.

Predominance of multielectron processes contributing to the intrinsic spectra of low-energy Auger transitions in copper and gold

NASA Astrophysics Data System (ADS)

Mukherjee, S. F.; Shastry, K.; Weiss, A. H.

2011-10-01

Positron-annihilation-induced Auger electron spectroscopy (PAES) was used to obtain Cu and Au Auger spectra that are free of primary-beam-induced backgrounds by impinging the positrons at an energy below the secondary-electron-emission threshold. The removal of the core electron via annihilation in the PAES process resulted in the elimination of postcollision effects. The spectra indicate that there is an intense low-energy tail (LET) associated with the Auger peak that extends all the way to 0 eV. The LET is interpreted as indicative of processes in which filling of the core hole by a valence electron results in the ejection of two or more valence electrons which share the energy of the conventional core-valence-valence Auger electron.

Magnetic properties and core electron binding energies of liquid water

NASA Astrophysics Data System (ADS)

Galamba, N.; Cabral, Benedito J. C.

2018-01-01

The magnetic properties and the core and inner valence electron binding energies of liquid water are investigated. The adopted methodology relies on the combination of molecular dynamics and electronic structure calculations. Born-Oppenheimer molecular dynamics with the Becke and Lee-Yang-Parr functionals for exchange and correlation, respectively, and includes an empirical correction (BLYP-D3) functional and classical molecular dynamics with the TIP4P/2005-F model were carried out. The Keal-Tozer functional was applied for predicting magnetic shielding and spin-spin coupling constants. Core and inner valence electron binding energies in liquid water were calculated with symmetry adapted cluster-configuration interaction. The relationship between the magnetic shielding constant σ(17O), the role played by the oxygen atom as a proton acceptor and donor, and the tetrahedral organisation of liquid water are investigated. The results indicate that the deshielding of the oxygen atom in water is very dependent on the order parameter (q) describing the tetrahedral organisation of the hydrogen bond network. The strong sensitivity of magnetic properties on changes of the electronic density in the nuclei environment is illustrated by a correlation between σ(17O) and the energy gap between the 1a1[O1s] (core) and the 2a1 (inner valence) orbitals of water. Although several studies discussed the eventual connection between magnetic properties and core electron binding energies, such a correlation could not be clearly established. Here, we demonstrate that for liquid water this correlation exists although involving the gap between electron binding energies of core and inner valence orbitals.

Correlation between core ion energization, suprathermal electron bursts, and broadband ELF plasma waves

NASA Astrophysics Data System (ADS)

Knudsen, David J.; Clemmons, James H.; Wahlund, Jan-Erik

1998-03-01

Observations of the lowest energy or core ions provide a particularly sensitive measure of the early stages of auroral ion energization. Freja satellite observations of 0-20 eV core ions in the topside auroral ionosphere and cusp/cleft show signs of heating within both regions of VLF hiss and broadband ELF plasma waves. However, heating to several eV or more is associated predominantly with the ELF waves. A correlation analysis of wave and core ion data formed from orbital segments shows that, on average, correlations are highest for wave frequencies below several hundred Hz, and less at VLF hiss frequencies. A similar analysis shows a higher correlation between electron precipitation and ion heating for electron energies below several hundred eV (i.e., the energies associated with suprathermal electron bursts) and a lower correlation above the 1 keV energies associated with auroral inverted-V's. Signs of core ion heating begin to appear when wave power at the O+ gyrofrequency exceeds about 10-3(mVm-1)2/Hz, and when the integrated field-aligned electron flux exceeds a few times 107cm-2s-1sr-1. This electron energy flux threshold is at least an order of magnitude lower than previously inferred from earlier studies comparing suprathermal electron fluxes and energetic ions. Almost all observed heating events occur during enhanced or active geomagnetic conditions; i.e., Kp>=4. While the most intense core ion heating is correlated with broadband ELF waves, we also present one example of weak ion heating of a few eV in a region of VLF auroral hiss.

Fast Heating of Imploded Core with Counterbeam Configuration.

PubMed

Mori, Y; Nishimura, Y; Hanayama, R; Nakayama, S; Ishii, K; Kitagawa, Y; Sekine, T; Sato, N; Kurita, T; Kawashima, T; Kan, H; Komeda, O; Nishi, T; Azuma, H; Hioki, T; Motohiro, T; Sunahara, A; Sentoku, Y; Miura, E

2016-07-29

A tailored-pulse-imploded core with a diameter of 70  μm is flashed by counterirradiating 110 fs, 7 TW laser pulses. Photon emission (>40  eV) from the core exceeds the emission from the imploded core by 6 times, even though the heating pulse energies are only one seventh of the implosion energy. The coupling efficiency from the heating laser to the core using counterirradiation is 14% from the enhancement of photon emission. Neutrons are also produced by counterpropagating fast deuterons accelerated by the photon pressure of the heating pulses. A collisional two-dimensional particle-in-cell simulation reveals that the collisionless two counterpropagating fast-electron currents induce mega-Gauss magnetic filaments in the center of the core due to the Weibel instability. The counterpropagating fast-electron currents are absolutely unstable and independent of the core density and resistivity. Fast electrons with energy below a few MeV are trapped by these filaments in the core region, inducing an additional coupling. This might lead to the observed bright photon emissions.

Unexpected electronic perturbation effects of simple PEG environments on the optical properties of small cadmium chalcogenide clusters

NASA Astrophysics Data System (ADS)

Fukunaga, Naoto; Konishi, Katsuaki

2015-12-01

Poly(ethylene glycol) (PEG) has been widely used for the surface protection of inorganic nanoobjects because of its virtually `inert' nature, but little attention has been paid to its inherent electronic impacts on inorganic cores. Herein, we definitively show, through studies on optical properties of a series of PEG-modified Cd10Se4(SR)10 clusters, that the surrounding PEG environments can electronically affect the properties of the inorganic core. For the clusters with PEG units directly attached to an inorganic core (R = (CH2CH2O)nOCH3, 1-PEGn, n = 3, ~7, ~17, ~46), the absorption bands, associated with the low-energy transitions, continuously blue-shifted with the increasing PEG chain length. The chain length dependencies were also observed in the photoluminescence properties, particularly in the excitation spectral profiles. By combining the spectral features of several PEG17-modified clusters (2-Cm-PEG17 and 3) whose PEG and core units are separated by various alkyl chain-based spacers, it was demonstrated that sufficiently long PEG units, including PEG17 and PEG46, cause electronic perturbations in the cluster properties when they are arranged near the inorganic core. These unique effects of the long-PEG environments could be correlated with their large dipole moments, suggesting that the polarity of the proximal chemical environment is critical when affecting the electronic properties of the inorganic cluster core.Poly(ethylene glycol) (PEG) has been widely used for the surface protection of inorganic nanoobjects because of its virtually `inert' nature, but little attention has been paid to its inherent electronic impacts on inorganic cores. Herein, we definitively show, through studies on optical properties of a series of PEG-modified Cd10Se4(SR)10 clusters, that the surrounding PEG environments can electronically affect the properties of the inorganic core. For the clusters with PEG units directly attached to an inorganic core (R = (CH2CH2O)nOCH3, 1-PEGn, n = 3, ~7, ~17, ~46), the absorption bands, associated with the low-energy transitions, continuously blue-shifted with the increasing PEG chain length. The chain length dependencies were also observed in the photoluminescence properties, particularly in the excitation spectral profiles. By combining the spectral features of several PEG17-modified clusters (2-Cm-PEG17 and 3) whose PEG and core units are separated by various alkyl chain-based spacers, it was demonstrated that sufficiently long PEG units, including PEG17 and PEG46, cause electronic perturbations in the cluster properties when they are arranged near the inorganic core. These unique effects of the long-PEG environments could be correlated with their large dipole moments, suggesting that the polarity of the proximal chemical environment is critical when affecting the electronic properties of the inorganic cluster core. Electronic supplementary information (ESI) available: Details of synthetic procedures and characterisation data of the PEGylated thiols and clusters and additional absorption, photoluminescence emission and excitation spectral data. See DOI: 10.1039/c5nr06307h

Characterization of the polyphenolic composition of purple loosestrife (Lythrum salicaria).

PubMed

Rauha, J P; Wolfender, J L; Salminen, J P; Pihlaja, K; Hostettmann, K; Vuorela, H

2001-01-01

Phenolic compounds of purple loosestrife (Lythrum salicaria L.) were analysed by the use of liquid chromatography-mass spectrometry (LC/MS) equipped with atmospheric pressure chemical ionisation (APCI) and electrospray ionisation (ESI). The presence of vitexin and orientin as well as their isomers, isovitexin and isoorientin, were confirmed using ion trap multiple stage LC/MS3 analysis. Several phenolic acids and tannins were also detected. Ellagitannins, vescalagin and pedunculagin, are reported from the plant for the first time.

Electron mobility limited by optical phonons in wurtzite InGaN/GaN core-shell nanowires

NASA Astrophysics Data System (ADS)

Liu, W. H.; Qu, Y.; Ban, S. L.

2017-09-01

Based on the force-balance and energy-balance equations, the optical phonon-limited electron mobility in InxGa1-xN/GaN core-shell nanowires (CSNWs) is discussed. It is found that the electrons tend to distribute in the core of the CSNWs due to the strong quantum confinement. Thus, the scattering from first kind of the quasi-confined optical (CO) phonons is more important than that from the interface (IF) and propagating (PR) optical phonons. Ternary mixed crystal and size effects on the electron mobility are also investigated. The results show that the PR phonons exist while the IF phonons disappear when the indium composition x < 0.047, and vice versa. Accordingly, the total electron mobility μ first increases and then decreases with indium composition x, and reaches a peak value of approximately 3700 cm2/(V.s) when x = 0.047. The results also show that the mobility μ increases as increasing the core radius of CSNWs due to the weakened interaction between the electrons and CO phonons. The total electron mobility limited by the optical phonons exhibits an obvious enhancement as decreasing temperature or increasing line electron density. Our theoretical results are expected to be helpful to develop electronic devices based on CSNWs.

Radiation safety knowledge and practices among Irish orthopaedic trainees.

PubMed

Nugent, M; Carmody, O; Dudeney, S

2015-06-01

Fluoroscopy is frequently used in orthopaedic surgery, particularly in a trauma setting. Exposure of patients and staff to ionising radiation has been studied extensively; however, little work has been done to evaluate current knowledge and practices among orthopaedic trainees. This study aimed to investigate the knowledge and practices of Irish orthopaedic trainees regarding use of ionising radiation. A confidential internet-based survey on workplace radiation safety practices was distributed via email to 40 higher specialist trainees. Questions included related to radiation safety training and regular work practices. A total of 26 trainees completed the questionnaire (65% response rate). All reported regular exposure to ionising radiation. Compliance with body shields was high (25, 96%), however, other protective measures such as thyroid shields were less frequently employed. The 'as low as reasonably achievable principle' was practised regularly by 14 (54%). Radiation safety training was variable-while just over half (14) respondents felt adequately trained in radiation safety, 17 (65%) had attended a radiation protection course. Use of dosimeters was particularly poor, with only 4 (15%) using them regularly and most citing lack of availability as the main barrier. Although most Irish orthopaedic trainees have some knowledge regarding radiation safety, many do not regularly use all available measures to reduce exposure to ionising radiation. Barriers to use of protective mechanisms include lack of availability and perceived impracticality.

Retention of ionisable compounds on high-performance liquid chromatography XVII. Estimation of the pH variation of aqueous buffers with the change of the methanol fraction of the mobile phase.

PubMed

Subirats, Xavier; Bosch, Elisabeth; Rosés, Martí

2007-01-05

The use of methanol-aqueous buffer mobile phases in HPLC is a common election when performing chromatographic separations of ionisable analytes. The addition of methanol to the aqueous buffer to prepare such a mobile phase changes the buffer capacity and the pH of the solution. In the present work, the variation of these buffer properties is studied for acetic acid-acetate, phosphoric acid-dihydrogenphosphate-hydrogenphosphate, citric acid-dihydrogencitrate-hydrogencitrate-citrate, and ammonium-ammonia buffers. It is well established that the pH change of the buffers depends on the initial concentration and aqueous pH of the buffer, on the percentage of methanol added, and on the particular buffer used. The proposed equations allow the pH estimation of methanol-water buffered mobile phases up to 80% in volume of organic modifier from initial aqueous buffer pH and buffer concentration (before adding methanol) between 0.001 and 0.01 mol L(-1). From both the estimated pH values of the mobile phase and the estimated pKa of the ionisable analytes, it is possible to predict the degree of ionisation of the analytes and therefore, the interpretation of acid-base analytes behaviour in a particular methanol-water buffered mobile phase.

Evidence for a Circum-Nuclear and Ionised Absorber in the X-ray Obscured Broad Line Radio Galaxy 3C 445

NASA Technical Reports Server (NTRS)

Braito, V.; Reeves, J. N.; Sambruna, R. M.; Gofford, J.

2012-01-01

Here we present the results of a Suzaku observation of the Broad Line Radio Galaxy 3C 445. We confirm the results obtained with the previous X-ray observations which unveiled the presence of several soft X-ray emission lines and an overall X-ray emission which strongly resembles a typical Seyfert 2 despite of the optical classification as an unobscured AGN. The broad band spectrum allowed us to measure for the first time the amount of reflection (R approximately 0.9) which together with the relatively strong neutral Fe Ka emission line (EW approximately 100 eV) strongly supports a scenario where a Compton-thick mirror is present. The primary X ray continuum is strongly obscured by an absorber with a column density of NH = 2 - 3 x 10(exp 23) per square centimeter. Two possible scenarios are proposed for the absorber: a neutral partial covering or a mildly ionised absorber with an ionisation parameter log xi approximately 1.0 erg centimeter per second. A comparison with the past and more recent X-ray observations of 3C 445 performed with XMM-Newton and Chandra is presented, which provided tentative evidence that the ionised and outflowing absorber varied. We argue that the absorber is probably associated with an equatorial diskwind located within the parsec scale molecular torus.

The "Core Concepts Plus" Paradigm for Creating an Electronic Textbook for Introductory Business and Economic Statistics

ERIC Educational Resources Information Center

Haley, M. Ryan

2013-01-01

This paper describes a flexible paradigm for creating an electronic "Core Concepts Plus" textbook (CCP-text) for a course in Introductory Business and Economic Statistics (IBES). In general terms, "core concepts" constitute the intersection of IBES course material taught by all IBES professors at the author's university. The…

Detection and identification of carprofen and its in vivo metabolites in greyhound urine by capillary gas chromatography-mass spectrometry.

PubMed

Dumasia, M C; Ginn, A; Hyde, W; Peterson, J; Houghton, E

2003-05-25

Rimadyl (carprofen) was administered orally to the racing greyhound at a dose of 2.2 mg kg(-1). Following both alkaline and enzymatic hydrolysis, postadministration urine samples were extracted by mixed mode solid-phase extraction (SPE) cartridges to identify target analyte(s) for forensic screening and confirmatory analysis methods. The acidic isolates were derivatised as trimethylsilyl ethers (TMS) and analysed by gas chromatography-mass spectrometry (GC-MS). Carprofen and five phase I metabolites were identified. Positive ion electron ionisation (EI(+)) mass spectra of the TMS derivatives of carprofen and its metabolites show a diagnostic base peak at M(+)*. -117 corresponding to the loss of COO-Si-(CH(3))(3) group as a radical. GC-MS with positive ion ammonia chemical ionisation (CI(+)) of the compounds provided both derivatised molecular mass and some structural information. Deutromethylation-TMS derivatisation was used to distinguish between aromatic and aliphatic oxidations of carprofen. The drug is rapidly absorbed, extensively metabolised and excreted as phase II conjugates in urine. Carprofen, three aromatic hydroxy and a minor N-hydroxy metabolite were detected for up to 48 h. For samples collected between 2 and 8 h after administration, the concentration of total carprofen ranged between 200 and 490 ng ml(-1). The major metabolite, alpha-hydroxycarprofen was detected for over 72 h and therefore can also be used as a marker for the forensic screening of carprofen in greyhound urine.

Investigation of the electronic structure of Be2+He and Be+He, and static dipole polarisabilities of the helium atom

NASA Astrophysics Data System (ADS)

Dhiflaoui, J.; Bejaoui, M.; Farjallah, M.; Berriche, H.

2018-05-01

The potential energy and spectroscopic constants of the ground and many excited states of the Be+He van der Waals system have been investigated using a one-electron pseudo-potential approach, which is used to replace the effect of the Be2+ core and the electron-He interactions by effective potentials. Furthermore, the core-core interactions are incorporated. This permits the reduction of the number of active electrons of the Be+He van der Waals system to only one electron. Therefore, the potential energy of the ground state as well as the excited states is performed at the SCF level and considering the spin-orbit interaction. The core-core interaction for Be2+He ground state is included using accurate CCSD (T) calculations. Then, the spectroscopic properties of the Be+He electronic states are extracted and compared with the previous theoretical and experimental studies. This comparison has shown a very good agreement for the ground and the first excited states. Moreover, the transition dipole moment has been determined for a large and dense grid of internuclear distances including the spin orbit effect. In addition, a vibrational spacing analysis for the Be2+He and Be+He ground states is performed to extract the He atomic polarisability.

Roles of functional groups of naproxen in its sorption to kaolinite.

PubMed

Yu, Chenglong; Bi, Erping

2015-11-01

The sorption of acidic anti-inflammatory drugs to soils is important for evaluating their fate and transformations in the water-soil environment. However, roles of functional groups of ionisable drugs onto mineral surfaces have not been sufficiently studied. In this study, batch experiments of naproxen (NPX, anti-inflammatory drug) and two kinds of competitors to kaolinite were studied. The Kd of naproxen to kaolinite is 1.30-1.62 L kg(-1). The n-π electron donor-acceptor (n-π EDA) interaction between diaromatic ring of naproxen (π-electron acceptors) and the siloxane oxygens (n-donors) of kaolinite is the dominant sorption mechanism. The carboxyl group of naproxen can contribute to the overall sorption. A conception model was put forward to elucidate to sorption mechanisms, in which the contribution of n-π EDA and hydrogen bond to overall sorption was quantified. These sorption mechanisms can be helpful for estimating the fate and mobility of acid pharmaceuticals in soil-water environment. Copyright © 2015 Elsevier Ltd. All rights reserved.

Metastable States Arising from the Ablation of Solid Copper

NASA Astrophysics Data System (ADS)

Andrejeva, Anna; Harris, Joe; Wright, Tim

2014-06-01

Laser ablation is a popular method for generating metal atoms so that metal clusters, complexes, and molecules may be investigated in gas phase spectroscopic studies. However, the initial production of a highly energetic metal plasma from the surface of a solid metal target can produce atoms which are not in their ground electronic state, and consequently atomic spectra can become quite complicated due to transitions arising from metastable atomic excited states which remain populated on the experimental timescale. Presented herein are details of the laser vaporisation source in use by our group. Spectra of atomic copper are presented, recorded via (1+1') and (2+1) resonance enhanced multiphoton ionisation (REMPI) spectroscopy. The energetic regions examined are expected to correspond to the (4s24p) 2P ← 2S and the (4s2nd) 2D ← 2S Rydberg series respectively, but the observed spectra also exhibit many additional contributions which are found to arise from electronically excited states, and these will be discussed.

Core-shell nanophosphor architecture: toward efficient energy transport in inorganic/organic hybrid solar cells.

PubMed

Li, Qinghua; Yuan, Yongbiao; Chen, Zihan; Jin, Xiao; Wei, Tai-huei; Li, Yue; Qin, Yuancheng; Sun, Weifu

2014-08-13

In this work, a core-shell nanostructure of samarium phosphates encapsulated into a Eu(3+)-doped silica shell has been successfully fabricated, which has been confirmed by X-ray diffraction, transmission electron microscopy (TEM), and high-resolution TEM. Moreover, we report the energy transfer process from the Sm(3+) to emitters Eu(3+) that widens the light absorption range of the hybrid solar cells (HSCs) and the strong enhancement of the electron-transport of TiO2/poly(3-hexylthiophene) (P3HT) bulk heterojunction (BHJ) HSCs by introducing the unique core-shell nanoarchitecture. Furthermore, by applying femtosecond transient absorption spectroscopy, we successfully obtain the electron transport lifetimes of BHJ systems with or without incorporating the core-shell nanophosphors (NPs). Concrete evidence has been provided that the doping of core-shell NPs improves the efficiency of electron transfers from donor to acceptor, but the hole transport almost remains unchanged. In particular, the hot electron transfer lifetime was shortened from 30.2 to 16.7 ps, i.e., more than 44% faster than pure TiO2 acceptor. Consequently, a notable power conversion efficiency of 3.30% for SmPO4@Eu(3+):SiO2 blended TiO2/P3HT HSCs is achieved at 5 wt % as compared to 1.98% of pure TiO2/P3HT HSCs. This work indicates that the core-shell NPs can efficiently broaden the absorption region, facilitate electron-transport of BHJ, and enhance photovoltaic performance of inorganic/organic HSCs.

Introduction to Time of Flight Positron Annihilation Induced Auger Spectroscopy (TOF-PAES)

NASA Astrophysics Data System (ADS)

Joglekar, Prasad; Kalaskar, Sushant; Shastry, Karthik; Satyal, Suman; Weiss, Alex

2009-10-01

Time of flight- positron annihilation induced auger electron spectroscopy (TOF-PAES) is extremely surface selective with close to 95% of the PAES signal stemming from the top-most atomic layer. In PAES, a beam of low energy (1eV -- 25eV) positrons is made incident on a surface where they become trapped in an image potential well. A fraction (up to several percent) of the positrons in the surface state annihilate with the core electrons of atoms at the surface resulting in core-holes. Electrons in higher levels can fill these core-hole via an Auger transition in which the energy associated with this filling the core hole is transferred to another electron which can leave the atom and the surface. The energy of the outgoing (Auger) electrons is characteristic of the energy levels of the atom and can be used to identify the specific element taking part in the transition. In this talk I will present a brief review of how the TOF PAES technique can be used to obtain Auger spectra that is completely free of secondary electron background.

Finding Interstellar Particle Impacts on Stardust Aluminium Foils: The Safe Handling, Imaging, and Analysis of Samples Containing Femtogram Residues

NASA Technical Reports Server (NTRS)

Kearsley, A. T.; Westphal, A. J.; Stadermann, F. J.; Armes, S. P.; Ball, A. D.; Borg, J.; Bridges, J. C.; Brownlee, D. E.; Burchell, M. J.; Chater, R. J.;

Excitation energies from Görling-Levy perturbation theory along the range-separated adiabatic connection

NASA Astrophysics Data System (ADS)

Rebolini, Elisa; Teale, Andrew M.; Helgaker, Trygve; Savin, Andreas; Toulouse, Julien

2018-06-01

A Görling-Levy (GL)-based perturbation theory along the range-separated adiabatic connection is assessed for the calculation of electronic excitation energies. In comparison with the Rayleigh-Schrödinger (RS)-based perturbation theory this GL-based perturbation theory keeps the ground-state density constant at each order and thus gives the correct ionisation energy at each order. Excitation energies up to first order in the perturbation have been calculated numerically for the helium and beryllium atoms and the hydrogen molecule without introducing any density-functional approximations. In comparison with the RS-based perturbation theory, the present GL-based perturbation theory gives much more accurate excitation energies for Rydberg states but similar excitation energies for valence states.

Sulphur hexaflouride: low energy (e,2e) experiments and molecular three-body distorted wave theory

NASA Astrophysics Data System (ADS)

Nixon, Kate L.; Murray, Andrew J.; Chaluvadi, H.; Ning, C. G.; Colgan, James; Madison, Don H.

2016-10-01

Experimental and theoretical triple differential ionisation cross-sections (TDCSs) are presented for the highest occupied molecular orbital of sulphur hexafluoride. These measurements were performed in the low energy regime, with outgoing electron energies ranging from 5 to 40 eV in a coplanar geometry, and with energies of 10 and 20 eV in a perpendicular geometry. Complementary theoretical predictions of the TDCS were calculated using the molecular three-body distorted wave formalism. Calculations were performed using a proper average over molecular orientations as well as the orientation-averaged molecular orbital approximation. This more sophisticated model was found to be in closer agreement with the experimental data, however neither model accurately predicts the TDCS over all geometries and energies.

On the populating mechanisms of the autoionising states of Al III ions produced in a Penning ionisation discharge

NASA Technical Reports Server (NTRS)

Finkenthal, M.; Littman, A.; Stutman, D.; Bhatia, A. K.

1989-01-01

Spectra emitted by Al II and Al III in the 100-1900-A range from a Penning ionization discharge (PID) have been analyzed in order to study the populating mechanisms of the autoionizing levels of the Al III ion. Electron temperature and density estimates and Al III line intensities obtained using a collisional-radiative model are found to differ from those obtained experimentally, implying that the autoionizing levels of the Na I-like ion may be populated, in the PID plasma, by the inner-shell ionization of excited Mg I-like ions. It is suggested that such autoionizing lines could be used to search for populations inversions in the soft X-ray domain.

The effects of UV light on calcium metabolism in ball pythons (Python regius).

PubMed

Hedley, J; Eatwell, K

2013-10-12

Despite the popularity of keeping snakes in captivity, there has been limited investigation into the effects of UV radiation on vitamin D levels in snakes. The aim of this study was to investigate the effects of UV-b radiation on plasma 25-hydroxyvitamin D3 levels and ionised calcium concentrations in ball pythons (Python regius). Blood samples were taken from 14 ball pythons, which had never been exposed to UV-b light, to obtain baseline 25-hydroxyvitamin D3 levels and ionised calcium concentrations. Blood samples were then taken again from the same snakes 70 days later after one group (Group 1, n=6 females) were exposed to UV-b radiation daily, and the other group (Group 2, n=5 males and 3 females) were exposed to no UV-b radiation. Mean±sd 25-hydroxyvitamin D3 levels on day 0 in Group 1 were 197±35 nmol/l, and on day 70 were 203.5±13.8 nmol/l. Mean±sd 25-hydroxyvitamin D3 levels in Group 2 on day 0 were 77.7±41.5 nmol/l, and on day 70 were 83.0±41.9 nmol/l. Mean±sd ionised calcium levels at day 0 were 1.84±0.05 mmol/l for Group 1, and on day 70 were 1.78±0.07 mmol/l. Mean±sd ionised calcium levels at day 0 were 1.79±0.07 mmol/l for Group 2, and on day 70 were 1.81±0.05 mmol/l. No association was demonstrated between exposure to UV-b radiation and plasma 25-hydroxyvitamin D3 and ionised calcium concentrations. These results may provide baseline parameters for future studies in this and other snake species to determine ability to utilise UV-b light for vitamin D production.

Prevalence of working smoke alarms in local authority inner city housing: randomised controlled trial

PubMed Central

Rowland, Diane; DiGuiseppi, Carolyn; Roberts, Ian; Curtis, Katherine; Roberts, Helen; Ginnelly, Laura; Sculpher, Mark; Wade, Angela

2002-01-01

Objectives To identify which type of smoke alarm is most likely to remain working in local authority inner city housing, and to identify an alarm tolerated in households with smokers. Design Randomised controlled trial. Setting Two local authority housing estates in inner London. Participants 2145 households. Intervention Installation of one of five types of smoke alarm (ionisation sensor with a zinc battery; ionisation sensor with a zinc battery and pause button; ionisation sensor with a lithium battery and pause button; optical sensor with a lithium battery; or optical sensor with a zinc battery). Main outcome measure Percentage of homes with any working alarm and percentage in which the alarm installed for this study was working after 15 months. Results 54.4% (1166/2145) of all households and 45.9% (465/1012) of households occupied by smokers had a working smoke alarm. Ionisation sensor, lithium battery, and there being a smoker in the household were independently associated with whether an alarm was working (adjusted odds ratios 2.24 (95% confidence interval 1.75 to 2.87), 2.20 (1.77 to 2.75), and 0.62 (0.52 to 0.74)). The most common reasons for non-function were missing battery (19%), missing alarm (17%), and battery disconnected (4%). Conclusions Nearly half of the alarms installed were not working when tested 15 months later. Type of alarm and power source are important determinants of whether a household had a working alarm. What is already known on this topicFunctioning smoke alarms can reduce the risk of death in the event of a house fireMany local authorities install smoke alarms in their propertiesSeveral different types of smoke alarm are availableWhat this study addsOnly half of the smoke alarms installed in local authority housing were still working 15 months laterIonising smoke alarms with long life lithium batteries were most likely to remain functioningInstalling smoke alarms may not be an effective use of resources PMID:12411356

Subclinical hypocalcaemia in captive Asian elephants (Elephas maximus).

PubMed

van der Kolk, J H; van Leeuwen, J P T M; van den Belt, A J M; van Schaik, R H N; Schaftenaar, W

2008-04-12

The hypothesis that hypocalcaemia may play a role in dystocia in captive Asian elephants (Elephas maximus) was investigated. The objectives of the study were to measure the total calcium concentration in elephant plasma; assess the changes in parameters of calcium metabolism during a feeding trial; investigate a possible relationship between calcium metabolism and dystocia; and assess bone mineralisation in captive Asian elephants in vivo. The following parameters were measured: total and ionised calcium, inorganic phosphorous and magnesium, the fractional excretions of these minerals, intact parathyroid hormone, 25-OH-D(3) and 1,25-OH-D(3). Radiographs were taken from tail vertebrae for assessment of bone mineralisation. The mean (sd) heparinised plasma total calcium concentration was 2.7 (0.33) mmol/l (n=43) ranging from 0.84 to 3.08 mmol/l in 11 Asian elephants. There was no significant correlation between plasma total calcium concentration and age. Following feeding of a calcium rich ration to four captive Asian elephant cows, plasma total and ionised calcium peaked at 3.6 (0.24) mmol/l (range 3.4 to 3.9 mmol/l) and 1.25 (0.07) mmol/l (range 1.17 to 1.32 mmol/l), respectively. Plasma ionised calcium concentrations around parturition in four Asian elephant cows ranged from 0.37 to 1.1 mmol/l only. The present study indicates that captive Asian elephants might be hypocalcaemic, and that, in captive Asian elephants, the normal plasma concentration of total calcium should actually be around 3.6 mmol/l and normal plasma concentration of ionised calcium around 1.25 mmol/l. Given the fact that elephants absorb dietary calcium mainly from the intestine, it could be concluded that elephants should be fed calcium-rich diets at all times, and particularly around parturition. In addition, normal values for ionised calcium in captive Asian elephants should be reassessed.

Alloy and heterostructure architectures as promising tools for controlling electronic properties of semiconductor quantum dots

NASA Astrophysics Data System (ADS)

Vaxenburg, Roman; Lifshitz, Efrat

2012-02-01

Tunability of energy levels and wavefunctions of carriers in colloidal quantum dots (CQDs) has a marked effect on numerous physical aspects, such as Coulomb interactions and charge separation, which in turn has a direct impact on the functioning of CQD-based opto-electronic devices. The electronic properties of CQDs are conventionally controlled by variation of their size. Here we demonstrate a theoretical approach to engineer the electronic properties of IV-VI CQDs by introducing an alloy composition in core and core/shell heterostructures, having the general chemical formula PbSexS1-x/PbSeyS1-y (0 ≤ x ≤ 1, 0 ≤ y ≤ 1), while maintaining a constant size. The theoretical model considered an effective mass anisotropy and smooth potential step at the core/shell interface. The model revealed the influence induced by variation of chemical composition and core-to-shell division on the band-gap energy, remote states’ density, internal charge separation, electron-hole Coulomb interaction, and optical transition oscillator strength.

Predominance of multielectron processes contributing to the intrinsic spectra of low-energy Auger transitions in copper and gold

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

Mukherjee, S. F.; Shastry, K.; Weiss, A. H.

2011-10-15

Positron-annihilation-induced Auger electron spectroscopy (PAES) was used to obtain Cu and Au Auger spectra that are free of primary-beam-induced backgrounds by impinging the positrons at an energy below the secondary-electron-emission threshold. The removal of the core electron via annihilation in the PAES process resulted in the elimination of postcollision effects. The spectra indicate that there is an intense low-energy tail (LET) associated with the Auger peak that extends all the way to 0 eV. The LET is interpreted as indicative of processes in which filling of the core hole by a valence electron results in the ejection of two ormore » more valence electrons which share the energy of the conventional core-valence-valence Auger electron.« less

Exploring the effect of band alignment and surface states on photoinduced electron transfer from CuInS2/CdS core/shell quantum dots to TiO2 electrodes.

PubMed

Sun, Mingye; Zhu, Dehua; Ji, Wenyu; Jing, Pengtao; Wang, Xiuying; Xiang, Weidong; Zhao, Jialong

2013-12-11

Photoinduced electron transfer (ET) processes from CuInS2/CdS core/shell quantum dots (QDs) with different core sizes and shell thicknesses to TiO2 electrodes were investigated by time-resolved photoluminescence (PL) spectroscopy. The ET rates and efficiencies from CuInS2/CdS QDs to TiO2 were superior to those of CuInS2/ZnS QDs. An enhanced ET efficiency was surprisingly observed for 2.0 nm CuInS2 core QDs after growth of the CdS shell. On the basis of the experimental and theoretical analysis, the improved performances of CuInS2/CdS QDs were attributed to the passivation of nonradiative traps by overcoating shell and enhanced delocalization of electron wave function from core to CdS shell due to lower conduction band offset. These results indicated that the electron distribution regulated by the band alignment between core and shell of QDs and the passivation of surface defect states could improve ET performance between donor and acceptor.

Beta-decay measurements of neutron-rich thallium, lead, and bismuth by means of resonant laser ionisation

NASA Astrophysics Data System (ADS)

Franchoo, S.; de Witte, H.; Andreyev, A. N.; Cederka¨Ll, J.; Dean, S.; de Smet, A.; Eeckhaudt, S.; Fedorov, D. V.; Fedosseev, V. N.; G´Rska, M.; Huber, G.; Huyse, M.; Janas, Z.; Ko¨Ster, U.; Kurcewicz, W.; Kurpeta, J.; Mayer, P.; Płchocki, A.; van de Vel, K.; van Duppen, P.; Weissman, L.; Isolde Collaboration

2004-04-01

Neutron-rich thallium, lead, and bismuth isotopes were investigated at the ISOLDE facility. After mass separation and resonant laser ionisation of the produced activity, new spectroscopic data were obtained for 215,218Bi and 215Pb. An attempt to reach heavy thallium had to be abandoned because of a strong francium component in the beam that gave rise to a neutron background through (α,n) reactions on the aluminium walls of the experimental chamber.

Positron-annihilation-induced ion desorption from TiO2(110)

NASA Astrophysics Data System (ADS)

Tachibana, T.; Hirayama, T.; Nagashima, Y.

2014-05-01

We have investigated the positron-stimulated desorption of ions from a TiO2(110) surface. Desorbed O+ ions were detected in coincidence with the emission of annihilation γ rays. The energy dependence of the ion yields shows that the O+ ions were detected at energies much lower than the previously reported threshold for electron impact desorption corresponding to the excitation energy of Ti(3p) core electrons. These results provide evidence that core-hole creation by positron annihilation with electrons in the core levels leads to ion desorption.

Two-Centre Convergent Close-Coupling Approach to Ion-Atom Collisions: Current Progress

NASA Astrophysics Data System (ADS)

Kadyrov, Alisher; Abdurakhmanov, Ilkhom; Bailey, Jackson; Bray, Igor

2016-09-01

There are two versions of the convergent close-coupling (CCC) approach to ion-atom collisions: quantum-mechanical (QM-CCC) and semi-classical (SC-CCC). Recently, both implementations have been extended to include electron-transfer channels. The SC-CCC approach has been applied to study the excitation and the electron-capture processes in proton-hydrogen collisions. The integral alignment parameter A20 for polarization of Lyman- α emission and the cross sections for excitation and electron-capture into the lowest excited states have been calculated for a wide range of the proton impact energies. It has been established that for convergence of the results a very wide range of impact parameters (typically, 0-50 a.u.) is required due to extremely long tails of transition probabilities for transitions into the 2 p states at high energies. The QM-CCC approach allowed to obtain an accurate solution of proton-hydrogen scattering problem including all underlying processes, namely, direct scattering and ionisation, and electron capture into bound and continuum states of the projectile. In this presentation we give a general overview of current progress in applications of the two-centre CCC approach to ion-atom and atom-atom collisions. The work is supported by the Australian Research Council.

Bite-outs and other depletions of mesospheric electrons

PubMed Central

Friedrich, Martin; Rapp, Markus; Plane, John M.C.; Torkar, Klaus M.

2011-01-01

The ionised mesosphere is less understood than other parts of the ionosphere because of the challenges of making appropriate measurements in this complex region. We use rocket borne in situ measurements of absolute electron density by the Faraday rotation technique and accompanying DC-probe measurements to study the effect of particles on the D-region charge balance. Several examples of electron bite-outs, their actual depth as well as simultaneous observations of positive ions are presented. For a better understanding of the various dependencies we use the ratio β/αi (attachment rate over ion–ion recombination coefficient), derived from the electron and ion density profiles by applying a simplified ion-chemical scheme, and correlate this term with solar zenith angle and moon brightness. The probable causes are different for day and night; recent in situ measurements support existing hypotheses for daytime cases, but also reveal behaviour at night hitherto not reported in the literature. Within the large range of β/αi values obtained from the analysis of 28 high latitude night flights one finds that the intensity of scattered sunlight after sunset, and even moonlight, apparently can photodetach electrons from meteoric smoke particles (MSP) and molecular anions. The large range of values itself can best be explained by the variability of the MSPs and by occasionally occurring atomic oxygen impacting on the negative ion chemistry in the night-time mesosphere under disturbed conditions. PMID:27570472

High-order harmonic generation enhanced by XUV light

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

Buth, Christian; Kohler, Markus C.; Ullrich, Joachim

2012-03-19

The combination of high-order harmonic generation (HHG) with resonant XUV excitation of a core electron into the transient valence vacancy that is created in the course of the HHG process is investigated theoretically. In this setup, the first electron performs a HHG three-step process, whereas the second electron Rabi flops between the core and the valence vacancy. The modified HHG spectrum due to recombination with the valence and the core is determined and analyzed for krypton on the 3d {yields} 4p resonance in the ion. We assume an 800 nm laser with an intensity of about 10{sup 14} Wcm{sup 2}more » and XUV radiation from the Free Electron Laser in Hamburg (FLASH) with an intensity in the range 10{sup 13}-10{sup 16} Wcm{sup 2}. Our prediction opens perspectives for nonlinear XUV physics, attosecond x rays, and HHG-based spectroscopy involving core orbitals.« less

Looking for high-mass young stellar objects: H2O and OH masers in ammonia cores

NASA Astrophysics Data System (ADS)

Codella, C.; Cesaroni, R.; López-Sepulcre, A.; Beltrán, M. T.; Furuya, R.; Testi, L.

2010-02-01

Context. The earliest stages of high-mass star formation have yet to be characterised well, because high-angular resolution observations are required to infer the properties of the molecular gas hosting the newly formed stars. Aims: We search for high-mass molecular cores in a large sample of 15 high-mass star-forming regions that are observed at high-angular resolution, extending a pilot survey based on a smaller number of objects. Methods: The sample was chosen from surveys of H2O and OH masers to favour the earliest phases of high-mass star formation. Each source was first observed with the 32-m single-dish Medicina antenna in the (1, 1) and (2, 2) inversion transitions at 1.3 cm of ammonia, which is an excellent tracer of dense gas. High-resolution maps in the NH3(2, 2) and (3, 3) lines and the 1.3 cm continuum were obtained successively with the VLA interferometer. Results: We detect continuum emission in almost all the observed star-forming regions, which corresponds to extended and UCHii regions created by young stellar objects with typical luminosities of ˜10^4~L⊙. However, only in three cases do we find a projected overlap between Hii regions and H2O and OH maser spots. On the other hand, the VLA images detect eight ammonia cores closely associated with the maser sources. The ammonia cores have sizes of ˜10^4 AU, and high masses (up to 104M⊙), and are very dense (from ˜10^6 to a few ×10^9 cm-3). The typical relative NH3 abundance is ≤10-7, in agreement with previous measurements in high-mass star-forming regions. Conclusions: The statistical analysis of the distribution between H2O and OH masers, NH3 cores, and Hii regions confirms that the earliest stages of high-mass star formation are characterised by high-density molecular cores with temperatures of on average ≥30 K, either without a detectable ionised region or associated with a hypercompact Hii region.

Measurement of the spectra of low energy electrons resulting from Auger transitions induced by the annihilation of low energy positrons implanted at The Ag (100) surface

NASA Astrophysics Data System (ADS)

Shastry, Karthik; Joglekar, Prasad; Weiss, A. H.; Fazleev, N. G.

2013-04-01

A few percent of positrons bound to a solid surface annihilate with core electrons resulting in highly excited atoms containing core holes. These core holes may be filled in an auto-ionizing process in which a less tightly bound electron drops into the hole and the energy difference transferred to an outgoing "Auger electron." Because the core holes are created by annihilation and not impact it is possible to use very low energy positron beams to obtain annihilation induced Auger signals. The Auger signals so obtained have little or none of the large impact induced secondary electron background that interferes with measurements of the low energy Auger spectra obtained using the much higher incident energies necessary when using electron or photon beams. Here we present the results of measurements of the energy spectrum of low energy electrons emitted as a result of Positron Annihilation Induce Auger Electron Emission [1] from a clean Ag (100) surface. The measurements were performed using the University of Texas Arlington Time of Flight Positron Annihilation induced Auger Electron Spectrometer (T-O-F-PAES) System [2]. A strong double peak was observed at ˜35eV corresponding to the N2VV and N3VV Auger transitions in agreement with previous PAES studies [3].

A comprehensive metabolite profiling of Isatis tinctoria leaf extracts.

PubMed

Mohn, Tobias; Plitzko, Inken; Hamburger, Matthias

2009-05-01

A broad-based characterisation of a pharmacologically active dichloromethane extract from Isatis tinctoria leaves was carried out. For a comprehensive picture we also included the polar constituents of I. tinctoria (MeOH extract) and for comparative purposes, the taxonomically closely related plant I. indigotica. Diode array detector, evaporative light scattering detector, atmospheric pressure chemical ionisation and electrospray ionisation mass spectrometry, and electrospray ionisation time-of-flight mass spectrometry detectors were used in parallel to ensure a wide coverage of secondary metabolites with highly diverging analytical properties. Off-line microprobe nuclear magnetic resonance spectroscopy after peak purification by semi-preparative high-pressure liquid chromatography served for structure elucidation of some minor constituents. More than 65 compounds belonging to various structural classes such as alkaloids, flavonoids, fatty acids, porphyrins, lignans, carotenoids, glucosinolates and cyclohexenones were unambiguously identified, and tentative structures were proposed for additional compounds. Numerous compounds were identified for the first time in the genus Isatis, and an indolic alkaloid was discovered.

Using corona discharge-ion mobility spectrometry for detection of 2,4,6-Trichloroanisole.

PubMed

Lichvanová, Zuzana; Ilbeigi, Vahideh; Sabo, Martin; Tabrizchi, Mahmoud; Matejčík, Stefan

2014-09-01

In this work possible application of the corona discharge-ion mobility spectrometer (CD-IMS) for detection of 2,4,6-Trichloroanisole (TCA) has been investigated. We applied CD-IMS interfaced with orthogonal acceleration time of flight mass spectrometer (CD-IMS-oaTOF) to study the ion processes within the CD-IMS technique. The CD-IMS instrument was operated in two modes, (i) standard and (ii) reverse flow modes resulting in different chemical ionisation schemes by NO3(-)(HNO3)n (n=0,1,2) and O2(-)(H2O)n (n=0,1,2), respectively. The O2(-)(H2O)n ionisation was associated with formation of Cl(-) and (TCA-CH3)(-) ions from TCA. The NO3(-)(HNO3)n ionisation, resulted in formation of NO3(-)(HNO3)(TCA-Cl) adduct ions. Limit of detection (LOD) for TCA was determined in gas (100 ppb) and solid phases (150 ng). Copyright © 2014 Elsevier B.V. All rights reserved.

Nanodosimetric track structure in homogeneous extended beams.

PubMed

Conte, V; Moro, D; Colautti, P; Grosswendt, B

2015-09-01

Physical aspects of particle track structure are important in determining the induction of clustered damage in relevant subcellular structures like the DNA and higher-order genomic structures. The direct measurement of track-structure properties of ionising radiation is feasible today by counting the number of ionisations produced inside a small gas volume. In particular, the so-called track-nanodosimeter, installed at the TANDEM-ALPI accelerator complex of LNL, measures ionisation cluster-size distributions in a simulated subcellular structure of dimensions 20 nm, corresponding approximately to the diameter of the chromatin fibre. The target volume is irradiated by pencil beams of primary particles passing at specified impact parameter. To directly relate these measured track-structure data to radiobiological measurements performed in broad homogeneous particle beams, these data can be integrated over the impact parameter. This procedure was successfully applied to 240 MeV carbon ions and compared with Monte Carlo simulations for extended fields. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Identification of amino acids by material enhanced laser desorption/ionisation mass spectrometry (MELDI-MS) in positive- and negative-ion mode

NASA Astrophysics Data System (ADS)

Hashir, Muhammad Ahsan; Stecher, Guenther; Mayr, Stefan; Bonn, Guenther K.

2009-01-01

In the present study, different silica gel modifications were evaluated for their application as target surface for material enhanced laser desorption/ionisation mass spectrometric (MELDI-MS) investigation of amino acids. 4,4'-Azodianiline (ADA-silica) modified silica gel was successfully employed for the qualitative analysis of amino acids in positive- and in negative-ion mode. Further no derivatisation of amino acids was necessary, as the introduced system allowed the direct analysis of targets and delivered spectra with excellent signal intensity and signal-to-noise ratio within a few minutes. The influence of surface chemistry, ionisation mode and the nature of analytes on signal intensity was studied and discussed. Detection limit of 2.10 pg (10 fmol) was achieved by employing ADA-silica in positive-ion mode. Finally, xylem saps from different types of trees were analysed. This proved the high performance and excellent behaviour of the introduced target surface material.

Predator-prey dynamics stabilised by nonlinearity explain oscillations in dust-forming plasmas

NASA Astrophysics Data System (ADS)

Ross, A. E.; McKenzie, D. R.

2016-04-01

Dust-forming plasmas are ionised gases that generate particles from a precursor. In nature, dust-forming plasmas are found in flames, the interstellar medium and comet tails. In the laboratory, they are valuable in generating nanoparticles for medicine and electronics. Dust-forming plasmas exhibit a bizarre, even puzzling behaviour in which they oscillate with timescales of seconds to minutes. Here we show how the problem of understanding these oscillations may be cast as a predator-prey problem, with electrons as prey and particles as predators. The addition of a nonlinear loss term to the classic Lotka-Volterra equations used for describing the predator-prey problem in ecology not only stabilises the oscillations in the solutions for the populations of electrons and particles in the plasma but also explains the behaviour in more detail. The model explains the relative phase difference of the two populations, the way in which the frequency of the oscillations varies with the concentration of the precursor gas, and the oscillations of the light emission, determined by the populations of both species. Our results demonstrate the value of adopting an approach to a complex physical science problem that has been found successful in ecology, where complexity is always present.

Colour centres and nanostructures on the surface of laser crystals

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

Kulagin, N A

2012-11-30

This paper presents a study of structural and radiationinduced colour centres in the bulk and ordered nanostructures on the surface of doped laser crystals: sapphire, yttrium aluminium garnet and strontium titanate. The influence of thermal annealing, ionising radiation and plasma exposure on the spectroscopic properties of high-purity materials and crystals containing Ti, V and Cr impurities is examined. Colour centres resulting from changes in the electronic state of impurities and plasma-induced surface modification of the crystals are studied by optical, EPR and X-ray spectroscopies, scanning electron microscopy and atomic force microscopy. X-ray line valence shift measurements are used to assessmore » changes in the electronic state of some impurity and host ions in the bulk and on the surface of oxide crystals. Conditions are examined for the formation of one- and two-level arrays of ordered crystallites 10{sup -10} to 10{sup -7} m in size on the surface of crystals doped with irongroup and lanthanoid ions. The spectroscopic properties of the crystals are analysed using ab initio self-consistent field calculations for Me{sup n+} : [O{sup 2-}]{sub k} clusters. (interaction of laser radiation with matter. laser plasma)« less

Atomistic tight-binding theory of excitonic splitting energies in CdX(X = Se, S and Te)/ZnS core/shell nanocrystals

NASA Astrophysics Data System (ADS)

Sukkabot, Worasak; Pinsook, Udomsilp

2017-01-01

Using the atomistic tight-binding theory (TB) and a configuration interaction description (CI), we numerically compute the excitonic splitting of CdX(X = Se, S and Te)/ZnS core/shell nanocrystals with the objective to explain how types of the core materials and growth shell thickness can provide the detailed manipulation of the dark-dark (DD), dark-bright (DB) and bright-bright (BB) excitonic splitting, beneficial for the active application of quantum information. To analyze the splitting of the excitonic states, the optical band gaps, ground-state wave function overlaps and atomistic electron-hole interactions tend to be numerically demonstrated. Based on the atomistic computations, the single-particle and excitonic gaps are mainly reduced with the increasing ZnS shell thickness owing to the quantum confinement. In the range of the higher to lower energies, the order of the single-particle gaps is CdSe/ZnS, CdS/ZnS and CdTe/ZnS core/shell nanocrystals, while one of the excitonic gaps is CdS/ZnS, CdSe/ZnS and CdTe/ZnS core/shell nanocrystals because of the atomistic electron-hole interaction. The strongest electron-hole interactions are mainly observed in CdSe/ZnS core/shell nanocrystals. In addition, the computational results underline that the energies of the dark-dark (DD), dark-bright (DB) and bright-bright (BB) excitonic splitting are generally reduced with the increasing ZnS growth shell thickness as described by the trend of the electron-hole exchange interaction. The high-to-low splitting of the excitonic states is demonstrated in CdSe/ZnS, CdTe/ZnS and CdS/ZnS core/shell nanocrystals because of the fashion in the electron-hole exchange interaction and overlaps of the electron-hole wave functions. As the resulting calculations, it is expected that CdS/ZnS core/shell nanocrystals are the best candidates to be the source of entangled photons. Finally, the comprehensive information on the excitonic splitting can enable the use of suitable core/shell nanocrystals for the entangled photons in the application of quantum information.

Simulation and measurements of the response of an air ionisation chamber exposed to a mixed high-energy radiation field.

PubMed

Vincke, Helmut; Forkel-Wirth, Doris; Perrin, Daniel; Theis, Chris

2005-01-01

CERN's radiation protection group operates a network of simple and robust ionisation chambers that are installed inside CERN's accelerator tunnels. These ionisation chambers are used for the remote reading of ambient dose rate equivalents inside the machines during beam-off periods. This Radiation Protection Monitor for dose rates due to Induced Radioactivity ('PMI', trade name: PTW, Type 34031) is a non-confined air ionisation plastic chamber which is operated under atmospheric pressure. Besides its current field of operation it is planned to extend the use of this detector in the Large Hadron Collider to measure radiation under beam operation conditions to obtain an indication of the machine performance. Until now, studies of the PMI detector have been limited to the response to photons. In order to evaluate its response to other radiation components, this chamber type was tested at CERF, the high-energy reference field facility at CERN. Six PMI detectors were installed around a copper target being irradiated by a mixed hadron beam with a momentum of 120 GeV c(-1). Each of the chosen detector positions was defined by a different radiation field, varying in type and energy of the incident particles. For all positions, detailed measurements and FLUKA simulations of the detector response were performed. This paper presents the promising comparison between the measurements and simulations and analyses the influence of the different particle types on the resulting detector response.

A Census of the LyC Photons that Form the UV Background During Reionization

NASA Astrophysics Data System (ADS)

Katz, Harley; Kimm, Taysun; Haehnelt, Martin; Sijacki, Debora; Rosdahl, Joakim; Blaizot, Jeremy

2018-05-01

We present a new, on-the-fly photon flux and absorption tracer algorithm designed to directly measure the contribution of different source populations to the metagalactic UV background and to the ionisation fraction of gas in the Universe. We use a suite of multifrequency radiation hydrodynamics simulations that are carefully calibrated to reproduce a realistic reionization history and galaxy properties at z ≥ 6, to disentangle the contribution of photons emitted by different mass haloes and by stars with different metallicities and ages to the UV background during reionization. While at very early cosmic times low mass, metal poor haloes provide most of the LyC photons, their contribution decreases steadily with time. At z = 6 it is the photons emitted by massive systems (Mhalo/M⊙ > 1010 h-1) and by the metal enriched stars (10-3 < Z/Z⊙ < 10-1.5) that provide the largest contribution to the ionising UV background. We demonstrate that there are large variations in the escape fraction depending on the source, with the escape fraction being highest (˜45 - 60%) for photons emitted by the oldest stars that penetrate into the IGM via low opacity channels carved by the ionising photons and supernova from younger stars. Before HII regions begin to overlap, the photoionisation rate strongly fluctuates between different, isolated HII bubbles, depending on the embedded ionising source, which we suggest may result in spatial variations in the properties of dwarf galaxies.

A miniaturised laser ablation/ionisation analyser for investigation of elemental/isotopic composition with the sub-ppm detection sensitivity

NASA Astrophysics Data System (ADS)

Tulej, M.; Riedo, A.; Meyer, S.; Iakovleva, M.; Neuland, M.; Wurz, P.

2012-04-01

Detailed knowledge of the elemental and isotopic composition of solar system objects imposes critical constraints on models describing the origin of our solar system and can provide insight to chemical and physical processes taking place during the planetary evolution. So far, the investigation of chemical composition of planetary surfaces could be conducted almost exclusively by remotely controlled spectroscopic instruments from orbiting spacecraft, landers or rovers. With some exceptions, the sensitivity of these techniques is, however, limited and often only abundant elements can be investigated. Nevertheless, the spectroscopic techniques proved to be successful for global chemical mapping of entire planetary objects such as the Moon, Mars and asteroids. A combined afford of the measurements from orbit, landers and rovers can also yield the determination of local mineralogy. New instruments including Laser Induced Breakdown Spectroscopy (LIBS) and Laser Ablation/Ionisation Mass Spectrometer (LIMS), have been recently included for several landed missions. LIBS is thought to improve flexibility of the investigations and offers a well localised chemical probing from distances up to 10-13 m. Since LIMS is a mass spectrometric technique it allows for very sensitive measurements of elements and isotopes. We will demonstrate the results of the current performance tests obtained by application of a miniaturised laser ablation/ionisation mass spectrometer, a LIMS instrument, developed in Bern for the chemical analysis of solids. So far, the only LIMS instrument on a spacecraft is the LAZMA instrument. This spectrometer was a part of the payload for PHOBOS-GRUNT mission and is also currently selected for LUNA-RESURCE and LUNA-GLOB missions to the lunar south poles (Managadze et al., 2011). Our LIMS instrument has the dimensions of 120 x Ø60 mm and with a weight of about 1.5 kg (all electronics included), it is the lightest mass analyser designed for in situ chemical analysis of solid materials on the planetary surfaces (Rohner et al., 2003). Initial laboratory tests that were conducted with an IR laser radiation for the ablation, atomisation and ionisation of the material, indicated a high performance of the instrument in terms of sensitivity, dynamic range and mass resolution (Tulej et al., 2011). After some technical improvements and implementation of a computer-controlled performance optimiser we have achieved further improvements of both, the instrumental sensitivity down to sub-ppm level and reproducibility of the measurements. We will demonstrate the potential of the mass analyser to perform the quantitative elemental analysis of solids with a spatial (vertical, lateral) resolution commensurate with typical grain sizes, and its capabilities for investigation of isotopic patterns with accuracy and precision comparable to that of large analytical laboratory instruments, e.g., TIMS, SIMS, LA-ICP-MS. The results can be of considerable interest for in situ dating or investigation of other fine isotopic fractionation effects including studies of bio-markers.

Positron annihilation induced Auger electron spectroscopy

NASA Technical Reports Server (NTRS)

Weiss, Alex; Koymen, A. R.; Mehl, David; Jensen, K. O.; Lei, Chun; Lee, K. H.

1990-01-01

Recently, Weiss et al. have demonstrated that it is possible to excite Auger transitions by annihilating core electrons using a low energy (less than 30eV) beam of positrons. This mechanism makes possible a new electron spectroscopy, Positron annihilation induced Auger Electron Spectroscopy (PAES). The probability of exciting an Auger transition is proportional to the overlap of the positron wavefunction with atomic core levels. Since the Auger electron energy provides a signature of the atomic species making the transition, PAES makes it possible to determine the overlap of the positron wavefunction with a particular element. PAES may therefore provide a means of detecting positron-atom complexes. Measurements of PAES intensities from clean and adsorbate covered Cu surfaces are presented which indicate that approx. 5 percent of positrons injected into CU at 25eV produce core annihilations that result in Auger transitions.

Enhanced Electron Mobility in Nonplanar Tensile Strained Si Epitaxially Grown on SixGe1-x Nanowires.

PubMed

Wen, Feng; Tutuc, Emanuel

2018-01-10

We report the growth and characterization of epitaxial, coherently strained Si x Ge 1-x -Si core-shell nanowire heterostructure through vapor-liquid-solid growth mechanism for the Si x Ge 1-x core, followed by an in situ ultrahigh-vacuum chemical vapor deposition for the Si shell. Raman spectra acquired from individual nanowire reveal the Si-Si, Si-Ge, and Ge-Ge modes of the Si x Ge 1-x core and the Si-Si mode of the shell. Because of the compressive (tensile) strain induced by lattice mismatch, the core (shell) Raman modes are blue (red) shifted compared to those of unstrained bare Si x Ge 1-x (Si) nanowires, in good agreement with values calculated using continuum elasticity model coupled with lattice dynamic theory. A large tensile strain of up to 2.3% is achieved in the Si shell, which is expected to provide quantum confinement for electrons due to a positive core-to-shell conduction band offset. We demonstrate n-type metal-oxide-semiconductor field-effect transistors using Si x Ge 1-x -Si core-shell nanowires as channel and observe a 40% enhancement of the average electron mobility compared to control devices using Si nanowires due to an increased electron mobility in the tensile-strained Si shell.

Electronically cloaked nanoparticles

NASA Astrophysics Data System (ADS)

Shen, Wenqing

The concept of electronic cloaking is to design objects invisible to conduction electrons. The approach of electronic cloaking has been recently suggested to design invisible nanoparticle dopants with electronic scattering cross section smaller than 1% of the physical cross section (pi a2), and therefore to enhance the carrier mobility of bulk materials. The proposed nanoparticles have core-shell structures. The dopants are incorporated inside the core, while the shell layer serves both as a spacer to separate the charge carriers from their parent atoms and as a cloaking shell to minimize the scattering cross section of the electrons from the ionized nanoparticles. Thermoelectric materials are usually highly doped to have enough carrier density. Using invisible dopants could achieve larger thermoelectric power factors by enhancing the electronic mobility. Core-shell nanoparticles show an advantage over one-layer nanoparticles, which are proposed in three-dimensional modulation doping. However designing such nanoparticles is not easy as there are too many parameters to be considered. This thesis first shows an approach to design hollow nanoparticles by applying constrains on variables. In the second part, a simple mapping approach is introduced where one can identify possible core-shell particles by comparing the dimensionless parameters of chosen materials with provided maps. In both parts of this work, several designs with realistic materials were made and proven to achieve electronic cloaking. Improvement in the thermoelectric power factor compared to the traditional impurity doping method was demonstrated in several cases.

Design and performance of an ionisation chamber for the measurement of low alpha-activities

NASA Astrophysics Data System (ADS)

Hartmann, A.; Hutsch, J.; Krüger, F.; Sobiella, M.; Wilsenach, H.; Zuber, K.

2016-04-01

A new ionisation chamber for alpha-spectroscopy has been built from radio-pure materials for the purpose of investigating long lived alpha-decays. The measurement makes use of pulse shape analysis to discriminate between signal and background events. The design and performance of the chamber is described in this paper. A background rate of (10.9 ± 0.6) counts per day in the energy region of 1-9 MeV was achieved with a run period of 30.8 days. The background is dominantly produced by radon daughters.

Biological Effects of Ionising Radiation and Countermeasures (Les effets biologiques des rayonnements ionisants et leurs contre-mesures)

DTIC Science & Technology

2018-01-01

promote cooperative research and information exchange, and secondly an in-house delivery business model where S&T activities are conducted in a NATO...Panel These Panels and Group are the power-house of the collaborative model and are made up of national representatives as well as recognised world...of Radiation Injury and Recovery 1-31 1.3.3.2 Mini-Pig Model of Acute Radiation Syndrome ( ARS ) 1-31 1.3.3.3 Medical Countermeasures (MedCM) 1-32

Current status of matrix-assisted laser desorption ionisation-time of flight mass spectrometry in the clinical microbiology laboratory.

PubMed

Kok, Jen; Chen, Sharon C A; Dwyer, Dominic E; Iredell, Jonathan R

2013-01-01

The integration of matrix-assisted laser desorption ionisation-time of flight mass spectrometry (MALDI-TOF MS) into many clinical microbiology laboratories has revolutionised routine pathogen identification. MALDI-TOF MS complements and has good potential to replace existing phenotypic identification methods. Results are available in a more clinically relevant timeframe, particularly in bacteraemic septic shock. Novel applications include strain typing and the detection of antimicrobial resistance, but these are not widely used. This review discusses the technical aspects, current applications, and limitations of MALDI-TOF MS.

Ultra-High-Contrast Laser Acceleration of Relativistic Electrons in Solid Targets

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

Higginson, Drew Pitney

2013-01-01

The cone-guided fast ignition approach to Inertial Con nement Fusion requires laser-accelerated relativistic electrons to deposit kilojoules of energy within an imploded fuel core to initiate fusion burn. One obstacle to coupling electron energy into the core is the ablation of material, known as preplasma, by laser energy proceeding nanoseconds prior to the main pulse. This causes the laser-absorption surface to be pushed back hundreds of microns from the initial target surface; thus increasing the distance that electrons must travel to reach the imploded core. Previous experiments have shown an order of magnitude decrease in coupling into surrogate targets whenmore » intentionally increasing the amount of preplasma. Additionally, for electrons to deposit energy within the core, they should have kinetic energies on the order of a few MeV, as less energetic electrons will be stopped prior to the core and more energetic electrons will pass through the core without depositing much energy. Thus a quantitative understanding of the electron energy spectrum and how it responds to varied laser parameters is paramount for fast ignition. For the rst time, this dissertation quantitatively investigates the acceleration of electrons using an ultra-high-contrast laser. Ultra-high-contrast lasers reduce the laser energy that reaches the target prior to the main pulse; drastically reducing the amount of preplasma. Experiments were performed in a cone-wire geometry relevant to fast ignition. These experiments irradiated the inner-tip of a Au cone with the laser and observed electrons that passed through a Cu wire attached to the outer-tip of the cone. The total emission of K x-rays is used as a diagnostic to infer the electron energy coupled into the wire. Imaging the x-ray emission allowed an e ective path-length of electrons within the wire to be determined, which constrained the electron energy spectrum. Experiments were carried out on the ultra-high-contrast Trident laser at Los Alamos National Laboratory and at the low-contrast Titan laser at Lawrence Livermore National Laboratory. The targets were irradiated using these 1.054 μm wavelength lasers at intensities from 1019 to 1020 W/cm2. The coupling of energy into the Cu wire was found to be 2.7x higher when the preplasma was reduced using high-contrast. Additionally, higher laser intensity elongated the e ective path-length of electrons within the wire, indicating that their kinetic energy was higher.« less

Atomistic tight-binding computations of the structural and optical properties of CdTe/CdX (X=S and Se)/ZnS core/shell/shell nanocrystals

NASA Astrophysics Data System (ADS)

Sukkabot, Worasak

2018-05-01

A study of CdTe/CdX (X=S and Se)/ZnS core/shell/shell nanocrystals is carried out using atomistic tight-binding theory and the configuration interaction method to provide information for applications in bioimaging, biolabeling, display devices and near-infrared electronic instruments. The calculations yield the dependences of the internal and external passivated shells on the natural behaviours of CdTe/CdX (X=S and Se)/ZnS core/shell/shell nanocrystals. The reduction of the optical band gaps is observed with increasing numbers of monolayers in the external ZnS shell due to quantum confinement. Interestingly, the optical band gaps of CdTe/CdS/ZnS core/shell/shell nanocrystals are greater than those of CdTe/CdSe/ZnS core/shell/shell nanocrystals. In the presence of an external ZnS-coated shell, electron-hole wave function overlaps, oscillation strengths, ground-state exchange energies and Stokes shift are improved, whereas ground-state coulomb energies and fine-structure splitting are reduced. The oscillation strengths, Stokes shift and fine-structure splitting are reduced with the increase in external ZnS shell thickness. The oscillation strengths, Stokes shift and fine-structure splitting of CdTe/CdS/ZnS core/shell/shell nanocrystals are larger than those of CdTe/CdSe/ZnS core/shell/shell nanocrystals. Reduction of the atomistic electron-hole interactions is observed with increasing external ZnS shell size. The strong electron-hole interactions are more probed in CdTe/CdS/ZnS core/shell/shell nanocrystals than in CdTe/CdSe/ZnS core/shell/shell nanocrystals.

Development of a New Class of Scintillating Fibres with Very Short Decay Time and High Light Yield

NASA Astrophysics Data System (ADS)

Borshchev, O.; Cavalcante, A. B. R.; Gavardi, L.; Gruber, L.; Joram, C.; Ponomarenko, S.; Shinji, O.; Surin, N.

2017-05-01

We present first studies of a new class of scintillating fibres which are characterised by very short decay times and high light yield. The fibres are based on a novel type of luminophores admixed to a polystyrene core matrix. These so-called Nanostructured Organosilicon Luminophores (NOL) have high photoluminescense quantum yield and decay times just above 1 ns. A blue and a green emitting prototype fibre with 250 μm diameter were produced and characterised in terms of attenuation length, ionisation light yield, decay time and tolerance to x-ray irradiation. The well-established Kuraray SCSF-78 and SCSF-3HF fibres were taken as references. Even though the two prototype fibres mark just an intermediate step in an ongoing development, their performance is already on a competitive level. In particular, their decay time constants are about a factor of two shorter than the fastest known fibres, which makes them promising candidates for time critical applications.

Green synthesis of CuInS2/ZnS core-shell quantum dots by facile solvothermal route with enhanced optical properties

NASA Astrophysics Data System (ADS)

Jindal, Shikha; Giripunje, Sushama M.; Kondawar, Subhash B.; Koinkar, Pankaj

2018-03-01

We report an eco-friendly green synthesis of highly luminescent CuInS2/ZnS core-shell quantum dots (QDs) with average particle size ∼ 3.9 nm via solvothermal process. The present study embodies the intensification of CuInS2/ZnS QDs properties by the shell growth on the CuInS2 QDs. The as-prepared CuInS2 core and CuInS2/ZnS core-shell QDs have been characterized using a range of optical and structural techniques. By adopting a low temperature growth of CuInS2 core and high temperature growth of CuInS2/ZnS core-shell growth, the tuning of absorption and photoluminescence emission spectra were observed. Optical absorption and photoluminescence spectroscopy probe the effect of ZnS passivation on the electronic structure of the CuInS2 dots. In addition, QDs have been scrutinized using ultra violet photoelectron spectroscopy (UPS) to explore their electronic band structure. The band level positions of CuInS2 and CuInS2/ZnS QDs suffices the demand of non-toxic acceptor material for electronic devices. The variation in electronic energy levels of CuInS2 core with the coating of wide band gap ZnS shell influence the removal of trap assisted recombination on the surface of the core. QDs exhibited tunable emission from red to orange region. These studies reveal the feasibility of QDs in photovoltaic and light emitting diodes.

Changes in divertor conditions in response to changing core density with RMPs

DOE PAGES

Briesemeister, Alexis R.; Ahn, Joon -Wook; Canik, John M.; ...

2017-06-07

The effects of changes in core density on divertor electron temperature, density and heat flux when resonant magnetic perturbations (RMPs) are applied are presented, notably a reduction in RMP induced secondary radial peaks in the electron temperature profile at the target plate is observed when the core density is increased, which is consistent with modeling. RMPs is used here to indicated non-axisymmetric magnetic field perturbations, created using in-vessel control coils, which have components which has at least one but typically many resonances with the rotational transform of the plasma. RMPs are found to alter inter-ELM heat flux to the divertormore » by modifying the core plasma density. It is shown that applying RMPs reduces the core density and increases the inter-ELM heat flux to both the inner and outer targets. Using gas puffing to return the core density to the pre-RMP levels more than eliminates the increase in inter-ELM heat flux, but a broadening of the heat flux to the outer target remains. These measurements were made at a single toroidal location, but the peak in the heat flux profile was found near the outer strike point where simulations indicate little toroidal variation should exist and tangentially viewing diagnostics showed no evidence of strong asymmetries. In experiments where divertor Thomson scattering measurements were available it is shown that, local secondary peaks in the divertor electron temperature profile near the target plate are reduced as the core density is increased, while peaks in the divertor electron density profile near the target are increased. Furthermore, these trends observed in the divertor electron temperature and density are qualitatively reproduced by scanning the upstream density in EMC3-Eirene modeling. Measurements are presented showing that higher densities are needed to induce detachment of the outer strike point in a case where an increase in electron temperature, likely due to a change in MHD activity, is seen after RMPs are applied.« less

Changes in divertor conditions in response to changing core density with RMPs

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

Briesemeister, Alexis R.; Ahn, Joon -Wook; Canik, John M.

The effects of changes in core density on divertor electron temperature, density and heat flux when resonant magnetic perturbations (RMPs) are applied are presented, notably a reduction in RMP induced secondary radial peaks in the electron temperature profile at the target plate is observed when the core density is increased, which is consistent with modeling. RMPs is used here to indicated non-axisymmetric magnetic field perturbations, created using in-vessel control coils, which have components which has at least one but typically many resonances with the rotational transform of the plasma. RMPs are found to alter inter-ELM heat flux to the divertormore » by modifying the core plasma density. It is shown that applying RMPs reduces the core density and increases the inter-ELM heat flux to both the inner and outer targets. Using gas puffing to return the core density to the pre-RMP levels more than eliminates the increase in inter-ELM heat flux, but a broadening of the heat flux to the outer target remains. These measurements were made at a single toroidal location, but the peak in the heat flux profile was found near the outer strike point where simulations indicate little toroidal variation should exist and tangentially viewing diagnostics showed no evidence of strong asymmetries. In experiments where divertor Thomson scattering measurements were available it is shown that, local secondary peaks in the divertor electron temperature profile near the target plate are reduced as the core density is increased, while peaks in the divertor electron density profile near the target are increased. Furthermore, these trends observed in the divertor electron temperature and density are qualitatively reproduced by scanning the upstream density in EMC3-Eirene modeling. Measurements are presented showing that higher densities are needed to induce detachment of the outer strike point in a case where an increase in electron temperature, likely due to a change in MHD activity, is seen after RMPs are applied.« less

Electronic and Optical Properties of Core/Shell Pb16X16/Cd52X52 (X =S, Se, Te) Quantum Dots

NASA Astrophysics Data System (ADS)

Tamukong, Patrick; Mayo, Michael; Kilina, Svetlana

2015-03-01

The electronic and optoelectronic properties of semiconductor quantum dots (QDs) are mediated by surface defects due to the presence of dangling bonds producing trap states within the HOMO-LUMO energy gap, and contributing to fluorescence quenching. Surface capping ligands are generally used to alleviate this problem and increase the quantum yields of QDs. An alternative way is to synthesize core-shell QD structures; i.e., a QD core with a shell of another semiconductor material. We have investigated the effects of Cd52X52 shells on the photoexcited dynamics of Pb16X16 (X =S, Se, Te) QDs. The thin (~ 0.50 nm) shells were found to result largely in type I core/shell structures and a blue shift of the absorption spectra. Our studies revealed fairly strong core-shell hybridization in the electronic states close to the conduction band (CB) edge for Pb16S16andPb16Se16 cores, whereas for the Pb16Te16 core, such CB states were largely shell-like in nature. Nonadiabatic DFT-based dynamics, coupled with the surface hopping method, was used to study the effects of the core and shell compositions on energy relaxation rates in these systems.

The effects of the chemical composition and strain on the electronic properties of GaSb/InAs core-shell nanowires

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

Ning, Feng; Wang, Dan; Tang, Li-Ming, E-mail: lmtang@hnu.edu.cn

2014-09-07

The effects of the chemical composition and strain on the electronic properties of [111] zinc-blende (ZB) and [0001] wurtzite (WZ) GaSb/InAs core-shell nanowires (NWs) with different core diameters and shell thicknesses are studied using first-principles methods. The band structures of the [111] ZB GaSb/InAs core-shell NWs underwent a noticeable type-I/II band alignment transition, associated with a direct-to-indirect band gap transition under a compressive uniaxial strain. The band structures of the [0001] WZ GaSb/InAs core-shell NWs preserved the direct band gap under either compressive or tensile uniaxial strains. In addition, the band gaps and the effective masses of the carriers couldmore » be tuned by their composition. For the core-shell NWs with a fixed GaSb-core size, the band gaps decreased linearly with an increasing InAs-shell thickness, caused by the significant downshift of the conduction bands. For the [111] ZB GaSb/InAs core-shell NWs, the calculated effective masses indicated that the transport properties could be changed from hole-dominated conduction to electron-dominated conduction by changing the InAs-shell thickness.« less

Temporally separating Cherenkov radiation in a scintillator probe exposed to a pulsed X-ray beam.

PubMed

Archer, James; Madden, Levi; Li, Enbang; Carolan, Martin; Petasecca, Marco; Metcalfe, Peter; Rosenfeld, Anatoly

2017-10-01

Cherenkov radiation is generated in optical systems exposed to ionising radiation. In water or plastic devices, if the incident radiation has components with high enough energy (for example, electrons or positrons with energy greater than 175keV), Cherenkov radiation will be generated. A scintillator dosimeter that collects optical light, guided by optical fibre, will have Cherenkov radiation generated throughout the length of fibre exposed to the radiation field and compromise the signal. We present a novel algorithm to separate Cherenkov radiation signal that requires only a single probe, provided the radiation source is pulsed, such as a linear accelerator in external beam radiation therapy. We use a slow scintillator (BC-444) that, in a constant beam of radiation, reaches peak light output after 1 microsecond, while the Cherenkov signal is detected nearly instantly. This allows our algorithm to separate the scintillator signal from the Cherenkov signal. The relative beam profile and depth dose of a linear accelerator 6MV X-ray field were reconstructed using the algorithm. The optimisation method improved the fit to the ionisation chamber data and improved the reliability of the measurements. The algorithm was able to remove 74% of the Cherenkov light, at the expense of only 1.5% scintillation light. Further characterisation of the Cherenkov radiation signal has the potential to improve the results and allow this method to be used as a simpler optical fibre dosimeter for quality assurance in external beam therapy. Copyright © 2017 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Effect of dose rate of gamma irradiation on biochemical quality and browning of mushrooms Agaricus bisporus

NASA Astrophysics Data System (ADS)

Beaulieu, M.; D'Aprano, G.; Lacroix, M.

2002-03-01

In order to enhance the shelf-life of edible mature mushrooms Agaricus bisporus, 2 kGy ionising treatments were applied at two different dose rates: 4.5 kGy/h ( I-) and 32 kGy/h ( I+). Both I+ and I- showed 2 and 4 days shelf-life enhancement compared to the control ( C). Before day 9, no significant difference ( p>0.05) in L* value was detected in irradiated mushrooms. However, after day 9, the highest observed L* value (whiteness) was obtained for the mushrooms irradiated in I-. Analyses of phenolic compounds revealed that mushrooms in I- contained more phenols than I+ and C, the latter containing the lower level of phenols. The polyphenol oxidase (PPO) activities of irradiated mushrooms, analysed via catechol oxidase and dopa oxidase substrates, resulted in being significantly lowered ( p⩽0.05) compared to C, with a further decrease in I+. Analyses of the enzymes indicated that PPO activity was lower in I+, contrasting with its lower phenol concentration. Ionising treatments also increased significantly ( p⩽0.05) the phenylalanine ammonia-lyase (PAL) activity. The observation of mushrooms cellular membranes, by electronic microscopy, revealed a better preserved integrity in I- than in I+. It is thus assumed that the browning effect observed in I+ was caused by both the decompartimentation of vacuolar phenol and by the entry of molecular oxygen into the cell cytoplasm. The synergetic effect of the residual active PPO and the molecular oxygen, in contact with the phenols, allowed an increased oxidation rate and, therefore, a more pronounced browning in I+ than in I-.

Influence of inelastic Rydberg atom-atom collisional process on kinetic and optical properties of low-temperature laboratory and astrophysical plasmas

NASA Astrophysics Data System (ADS)

Klyucharev, A. N.; Bezuglov, N. N.; Mihajlov, A. A.; Ignjatović, Lj M.

2010-11-01

Elementary processes in plasma phenomena traditionally attract physicist's attention. The channel of charged-particle formation in Rydberg atom-atom thermal and sub-thermal collisions (the low temperature plasmas conditions) leads to creation of the molecular ions - associative ionization (AI). atomic ions - Penning-like ionization (PI) and the pair of the negative and positive ions. In our universe the chemical composition of the primordial gas consists mainly of Hydrogen and Helium (H, H-, H+, H2, He,He+). Hydrogen-like alkali-metal Lithium (Li, Li+,Li-) and combinations (HeH+, LiH-, LiH+). There is a wide range of plasma parameters in which the Rydberg atoms of the elements mentioned above make the dominant contribution to ionization and that process may be regarded as a prototype of the elementary process of light excitation energy transformation into electric one. The latest stochastic version of chemi-ionisation (AI+PI) on Rydberg atom-atom collisions extends the treatment of the "dipole resonant" model by taking into account redistribution of population over a range of Rydberg states prior to ionization. This redistribution is modelled as diffusion within the frame of stochastic dynamic of the Rydberg electron in the Rydberg energy spectrum. This may lead to anomalies of Rydberg atom spectra. Another result obtained in recent time is understanding that experimental results on chemi-ionization relate to the group of mixed Rydberg atom closed to the primary selected one. The Rydberg atoms ionisation theory today makes a valuable contribution in the deterministic and stochastic approaches correlation in atomic physic.

Core-valence stockholder AIM analysis and its connection to nonadiabatic effects in small molecules.

PubMed

Amaral, Paulo H R; Mohallem, José R

2017-05-21

A previous theory of separation of motions of core and valence fractions of electrons in a molecule [J. R. Mohallem et al., Chem. Phys. Lett. 501, 575 (2011)] is invoked as basis for the useful concept of Atoms-in-Molecules (AIM) in the stockholder scheme. The output is a new tool for the analysis of the chemical bond that identifies core and valence electron density fractions (core-valence stockholder AIM (CVSAIM)). One-electron effective potentials for each atom are developed, which allow the identification of the parts of the AIM which move along with the nuclei (cores). This procedure results in a general method for obtaining effective masses that yields accurate non-adiabatic corrections to vibrational energies, necessary to attain cm -1 accuracy in molecular spectroscopy. The clear-cut determination of the core masses is exemplified for either homonuclear (H 2 + , H 2 ) or heteronuclear (HeH + , LiH) molecules. The connection of CVSAIM with independent physically meaningful quantities can resume the question of whether they are observable or not.

Core-valence stockholder AIM analysis and its connection to nonadiabatic effects in small molecules

PubMed Central

Amaral, Paulo H. R.; Mohallem, José R.

2017-01-01

A previous theory of separation of motions of core and valence fractions of electrons in a molecule [J. R. Mohallem et al., Chem. Phys. Lett. 501, 575 (2011)] is invoked as basis for the useful concept of Atoms-in-Molecules (AIM) in the stockholder scheme. The output is a new tool for the analysis of the chemical bond that identifies core and valence electron density fractions (core-valence stockholder AIM (CVSAIM)). One-electron effective potentials for each atom are developed, which allow the identification of the parts of the AIM which move along with the nuclei (cores). This procedure results in a general method for obtaining effective masses that yields accurate non-adiabatic corrections to vibrational energies, necessary to attain cm−1 accuracy in molecular spectroscopy. The clear-cut determination of the core masses is exemplified for either homonuclear (H2+, H2) or heteronuclear (HeH+, LiH) molecules. The connection of CVSAIM with independent physically meaningful quantities can resume the question of whether they are observable or not. PMID:28527456

APEX reveals glowing stellar nurseries

NASA Astrophysics Data System (ADS)

2008-11-01

Illustrating the power of submillimetre-wavelength astronomy, an APEX image reveals how an expanding bubble of ionised gas about ten light-years across is causing the surrounding material to collapse into dense clumps that are the birthplaces of new stars. Submillimetre light is the key to revealing some of the coldest material in the Universe, such as these cold, dense clouds. Glowing Stellar Nurseries ESO PR Photo 40/08 Glowing Stellar Nurseries The region, called RCW120, is about 4200 light years from Earth, towards the constellation of Scorpius. A hot, massive star in its centre is emitting huge amounts of ultraviolet radiation, which ionises the surrounding gas, stripping the electrons from hydrogen atoms and producing the characteristic red glow of so-called H-alpha emission. As this ionised region expands into space, the associated shock wave sweeps up a layer of the surrounding cold interstellar gas and cosmic dust. This layer becomes unstable and collapses under its own gravity into dense clumps, forming cold, dense clouds of hydrogen where new stars are born. However, as the clouds are still very cold, with temperatures of around -250˚ Celsius, their faint heat glow can only be seen at submillimetre wavelengths. Submillimetre light is therefore vital in studying the earliest stages of the birth and life of stars. The submillimetre-wavelength data were taken with the LABOCA camera on the 12-m Atacama Pathfinder Experiment (APEX) telescope, located on the 5000 m high plateau of Chajnantor in the Chilean Atacama desert. Thanks to LABOCA's high sensitivity, astronomers were able to detect clumps of cold gas four times fainter than previously possible. Since the brightness of the clumps is a measure of their mass, this also means that astronomers can now study the formation of less massive stars than they could before. The plateau of Chajnantor is also where ESO, together with international partners, is building a next generation submillimetre telescope, ALMA, the Atacama Large Millimeter/submillimeter Array. ALMA will use over sixty 12-m antennas, linked together over distances of more than 16 km, to form a single, giant telescope. APEX is a collaboration between the Max-Planck-Institute for Radio Astronomy (MPIfR), the Onsala Space Observatory (OSO) and ESO. The telescope is based on a prototype antenna constructed for the ALMA project. Operation of APEX at Chajnantor is entrusted to ESO.

Effects of AISI 316L corrosion products in in vitro bone formation.

PubMed

Morais, S; Sousa, J P; Fernandes, M H; Carvalho, G S; de Bruijn, J D; van Blitterswijk, C A

1998-06-01

Rat bone marrow cells were cultured in experimental conditions that favour the proliferation and differentiation of osteoblastic cells (i.e., 2.52 x 10(-4) mol l(-1) ascorbic acid, 10(-2) mol l(-1) beta-glycerophosphate and 10(-8) mol l(-1) dexamethasone) in the absence and in the presence of stainless-steel corrosion products, for a period of 18 days. An AISI 316L stainless-steel slurry (SS) was obtained by electrochemical means and the concentrations of the major metal ions, determined by atomic absorption spectrometry, were 8.78 x 10(-3) mol l(-1) of Fe, 4.31 x 10(-3) mol l(-1) of Cr and 2.56 x 10(-3) mol l(-1) of Ni. Bone marrow cells were exposed to 0.01, 0.1 and 1% of the SS and at the end of the incubation period, control and treated cultures were evaluated by histochemical assays for the identification of the presence of alkaline phosphatase and also calcium and phosphate deposition. Cultures were further observed by scanning electron microscopy. Levels of total and ionised calcium and phosphorus in the culture media collected from control and metal exposed cell cultures were also quantified. Histochemical staining showed that control cultures presented a strong reaction for the presence of alkaline phosphatase and exhibited formation of calcium and phosphates deposits. The presence of 0.01% SS caused no detectable biological effects in these cultures, 0.1% SS impaired osteoblastic behaviour and, 1% SS resulted in cell death. In the absence of bone cells, levels of total and ionised calcium and phosphorus in the control and metal added culture medium were similar throughout the incubation period. A significant decrease in the levels of ionised calcium and phosphorus were observed in the culture medium of control cultures and also in cultures exposed to 0.01% SS after two weeks of incubation, an event related with the formation of mineral calcium phosphate deposits in these cultures. In cultures grown in the presence of 0.1 and 1% SS corrosion products, levels of calcium and phosphorus were similar to those observed in the absence of cells. Results showed that stainless-steel corrosion products above certain concentrations may disturb the normal behaviour of osteoblast-like rat bone marrow cell cultures.

The Rydberg electronic transitions of the hydrogen molecule

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

Babb, J.F.; Chang, E.S.

1992-01-01

Transition energies and relative line strengths, without Boltzmann weighting, for the electric dipole transitions between Rydberg states n{prime}L{prime} and nL of the hydrogen molecule (one electron in a near-hydrogenic state of high n and L, with n the principal quantum number and L the orbital angular momentum quantum number of the electron) are calculated. Since the H{sup +}{sub 2} core is loosely coupled to the Rydberg electron, numerous lines occur, depending on the vector sum of L and the core rotational angular momentum. For the core vibrational quantum numbers v = 0 to 5 the strongest lines among the P,more » Q, and R branches for the lowest 12 core rotational levels are given for the particular transition arrays 6h-5g, 8i-6h, 7i-6h, 8k-7i, and 9l-8k, for which transitions occur in the wave number range 350 to 1,400 cm {sup {minus}1}.« less

[Statistical process control applied to intensity modulated radiotherapy pretreatment controls with portal dosimetry].

PubMed

Villani, N; Gérard, K; Marchesi, V; Huger, S; François, P; Noël, A

2010-06-01

The first purpose of this study was to illustrate the contribution of statistical process control for a better security in intensity modulated radiotherapy (IMRT) treatments. This improvement is possible by controlling the dose delivery process, characterized by pretreatment quality control results. So, it is necessary to put under control portal dosimetry measurements (currently, the ionisation chamber measurements were already monitored by statistical process control thanks to statistical process control tools). The second objective was to state whether it is possible to substitute ionisation chamber with portal dosimetry in order to optimize time devoted to pretreatment quality control. At Alexis-Vautrin center, pretreatment quality controls in IMRT for prostate and head and neck treatments were performed for each beam of each patient. These controls were made with an ionisation chamber, which is the reference detector for the absolute dose measurement, and with portal dosimetry for the verification of dose distribution. Statistical process control is a statistical analysis method, coming from industry, used to control and improve the studied process quality. It uses graphic tools as control maps to follow-up process, warning the operator in case of failure, and quantitative tools to evaluate the process toward its ability to respect guidelines: this is the capability study. The study was performed on 450 head and neck beams and on 100 prostate beams. Control charts, showing drifts, both slow and weak, and also both strong and fast, of mean and standard deviation have been established and have shown special cause introduced (manual shift of the leaf gap of the multileaf collimator). Correlation between dose measured at one point, given with the EPID and the ionisation chamber has been evaluated at more than 97% and disagreement cases between the two measurements were identified. The study allowed to demonstrate the feasibility to reduce the time devoted to pretreatment controls, by substituting the ionisation chamber's measurements with those performed with EPID, and also that a statistical process control monitoring of data brought security guarantee. 2010 Société française de radiothérapie oncologique (SFRO). Published by Elsevier SAS. All rights reserved.

The evolution of young HII regions. I. Continuum emission and internal dynamics

NASA Astrophysics Data System (ADS)

Klaassen, P. D.; Johnston, K. G.; Urquhart, J. S.; Mottram, J. C.; Peters, T.; Kuiper, R.; Beuther, H.; van der Tak, F. F. S.; Goddi, C.

2018-04-01

Context. High-mass stars form in much richer environments than those associated with isolated low-mass stars, and once they reach a certain mass, produce ionised (HII) regions. The formation of these pockets of ionised gas are unique to the formation of high-mass stars (M > 8 M⊙), and present an excellent opportunity to study the final stages of accretion, which could include accretion through the HII region itself. Aim. This study of the dynamics of the gas on both sides of these ionisation boundaries in very young HII regions aims to quantify the relationship between the HII regions and their immediate environments. Methods: We present high-resolution ( 0.5″) ALMA observations of nine HII regions selected from the red MSX source survey with compact radio emission and bolometric luminosities greater than 104 L⊙. We focus on the initial presentation of the data, including initial results from the radio recombination line H29α, some complementary molecules, and the 256 GHz continuum emission. Results: Of the six (out of nine) regions with H29α detections, two appear to have cometary morphologies with velocity gradients across them, and two appear more spherical with velocity gradients suggestive of infalling ionised gas. The remaining two were either observed at low resolution or had signals that were too weak to draw robust conclusions. We also present a description of the interactions between the ionised and molecular gas (as traced by CS (J = 5 - 4)), often (but not always) finding the HII region had cleared its immediate vicinity of molecules. Conclusions: Of our sample of nine, the observations of the two clusters expected to have the youngest HII regions (from previous radio observations) are suggestive of having infalling motions in the H29α emission, which could be indicative of late stage accretion onto the stars despite the presence of an HII region. Table A.2 is also available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/611/A99

The nature of luminous Lyα emitters at z ˜ 2-3: maximal dust-poor starbursts and highly ionising AGN

NASA Astrophysics Data System (ADS)

Sobral, David; Matthee, Jorryt; Darvish, Behnam; Smail, Ian; Best, Philip N.; Alegre, Lara; Röttgering, Huub; Mobasher, Bahram; Stroe, Ana Paulino-Afonso Andra; Oteo, Iván

2018-03-01

Deep narrow-band surveys have revealed a large population of faint Lyα emitters (LAEs) in the distant Universe, but relatively little is known about the most luminous sources (L_Lyα {≳} 10^{42.7} erg s-1; L_Lyα {≳} L^*_{Lyα }). Here we present the spectroscopic follow-up of 21 luminous LAEs at z ˜ 2 - 3 found with panoramic narrow-band surveys over five independent extragalactic fields (≈4 × 106 Mpc3 surveyed at z ˜ 2.2 and z ˜ 3.1). We use WHT/ISIS, Keck/DEIMOS and VLT/X-SHOOTER to study these sources using high ionisation UV lines. Luminous LAEs at z ˜ 2-3 have blue UV slopes (β =-2.0^{+0.3}_{-0.1}), high Lyα escape fractions (50^{+20}_{-15}%) and span five orders of magnitude in UV luminosity (M_{UV}≈ -19 to -24). Many (70%) show at least one high ionisation rest-frame UV line such as CIV, NV, CIII], HEII or OIII], typically blue-shifted by ≈100 - 200 km s-1 relative to Lyα. Their Lyα profiles reveal a wide variety of shapes, including significant blue-shifted components and widths from 200 to 4000 km s-1. Overall, 60 ± 11 % appear to be AGN dominated, and at L_{Lyα }>10^{43.3} erg s-1 and/or M_{UV}<-21.5 virtually all LAEs are AGN with high ionisation parameters (log U = 0.6 ± 0.5) and with metallicities of ≈0.5 - 1 Z⊙. Those lacking signatures of AGN (40 ± 11 %) have lower ionisation parameters (log U=-3.0^{+1.6}_{-0.9} and log ξion = 25.4 ± 0.2) and are apparently metal-poor sources likely powered by young, dust-poor "maximal" starbursts. Our results show that luminous LAEs at z ˜ 2-3 are a diverse population and that 2 × L^*_{Lyα } and 2 × M_UV^* mark a sharp transition in the nature of LAEs, from star formation dominated to AGN dominated.

The WISSH quasars project. I. Powerful ionised outflows in hyper-luminous quasars

NASA Astrophysics Data System (ADS)

Bischetti, M.; Piconcelli, E.; Vietri, G.; Bongiorno, A.; Fiore, F.; Sani, E.; Marconi, A.; Duras, F.; Zappacosta, L.; Brusa, M.; Comastri, A.; Cresci, G.; Feruglio, C.; Giallongo, E.; La Franca, F.; Mainieri, V.; Mannucci, F.; Martocchia, S.; Ricci, F.; Schneider, R.; Testa, V.; Vignali, C.

2017-02-01

Models and observations suggest that both the power and effects of AGN feedback should be maximised in hyper-luminous (LBol > 1047 erg s-1) quasars, I.e. objects at the brightest end of the AGN luminosity function. In this paper, we present the first results of a multiwavelength observing programme, focusing on a sample of WISE/SDSS selected hyper-luminous (WISSH) broad-line quasars at z ≈ 1.5-5. The WISSH quasars project has been designed to reveal the most energetic AGN-driven outflows, estimate their occurrence at the peak of quasar activity, and extend the study of correlations between outflows and nuclear properties up to poorly investigated, extreme AGN luminosities, I.e. LBol 1047 - 1048 erg s-1. We present near-infrared, long-slit LBT/LUCI1 spectroscopy of five WISSH quasars at z ≈ 2.3 - 3.5, showing prominent [OIII] emission lines with broad (FWHM 1200-2200 km s-1) and skewed profiles. The luminosities of these broad [OIII] wings are the highest measured so far, with L[OIII]broad ≳ 5 × 1044 erg s-1, and reveal the presence of powerful ionised outflows with associated mass outflow rates Ṁ ≳ 1700M⊙ yr-1 and kinetic powers Ėkin ≳ 1045 erg s-1. Although these estimates are affected by large uncertainties because of the use of [OIII] as a tracer of ionised outflows and the very basic outflow model adopted here, these results suggest that in our hyper-luminous targets the AGN is highly efficient at pushing large amounts of ionised gas outwards. Furthermore, the mechanical outflow luminosities measured for WISSH quasars correspond to higher percentages ( 1-3%) of LBol than those derived for AGN with lower LBol. Our targets host very massive (MBH ≳ 2 × 109M⊙) black holes that are still accreting at a high rate (I.e. a factor of 0.4-3 of the Eddington limit). These findings clearly demonstrate that WISSH quasars offer the opportunity to probe the extreme end of both luminosity and supermassive black holes (SMBH) mass functions and revealing powerful ionised outflows that are able to affect the evolution of their host galaxies.

Magnetic field generation in core-sheath jets via the kinetic Kelvin-Helmholtz instability

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

Nishikawa, K.-I.; Hardee, P. E.; Duţan, I.

2014-09-20

We have investigated magnetic field generation in velocity shears via the kinetic Kelvin-Helmholtz instability (kKHI) using a relativistic plasma jet core and stationary plasma sheath. Our three-dimensional particle-in-cell simulations consider plasma jet cores with Lorentz factors of 1.5, 5, and 15 for both electron-proton and electron-positron plasmas. For electron-proton plasmas, we find generation of strong large-scale DC currents and magnetic fields that extend over the entire shear surface and reach thicknesses of a few tens of electron skin depths. For electron-positron plasmas, we find generation of alternating currents and magnetic fields. Jet and sheath plasmas are accelerated across the shearmore » surface in the strong magnetic fields generated by the kKHI. The mixing of jet and sheath plasmas generates a transverse structure similar to that produced by the Weibel instability.« less

Disentangling formation of multiple-core holes in aminophenol molecules exposed to bright X-FEL radiation

NASA Astrophysics Data System (ADS)

Zhaunerchyk, V.; Kamińska, M.; Mucke, M.; Squibb, R. J.; Eland, J. H. D.; Piancastelli, M. N.; Frasinski, L. J.; Grilj, J.; Koch, M.; McFarland, B. K.; Sistrunk, E.; Gühr, M.; Coffee, R. N.; Bostedt, C.; Bozek, J. D.; Salén, P.; Meulen, P. v. d.; Linusson, P.; Thomas, R. D.; Larsson, M.; Foucar, L.; Ullrich, J.; Motomura, K.; Mondal, S.; Ueda, K.; Richter, R.; Prince, K. C.; Takahashi, O.; Osipov, T.; Fang, L.; Murphy, B. F.; Berrah, N.; Feifel, R.

2015-12-01

Competing multi-photon ionization processes, some leading to the formation of double core hole states, have been examined in 4-aminophenol. The experiments used the linac coherent light source (LCLS) x-ray free electron laser, in combination with a time-of-flight magnetic bottle electron spectrometer and the correlation analysis method of covariance mapping. The results imply that 4-aminophenol molecules exposed to the focused x-ray pulses of the LCLS sequentially absorb more than two x-ray photons, resulting in the formation of multiple core holes as well as in the sequential removal of photoelectrons and Auger electrons (so-called PAPA sequences).

Ultrafast core-loss spectroscopy in four-dimensional electron microscopy

PubMed Central

van der Veen, Renske M.; Penfold, Thomas J.; Zewail, Ahmed H.

2015-01-01

We demonstrate ultrafast core-electron energy-loss spectroscopy in four-dimensional electron microscopy as an element-specific probe of nanoscale dynamics. We apply it to the study of photoexcited graphite with femtosecond and nanosecond resolutions. The transient core-loss spectra, in combination with ab initio molecular dynamics simulations, reveal the elongation of the carbon-carbon bonds, even though the overall behavior is a contraction of the crystal lattice. A prompt energy-gap shrinkage is observed on the picosecond time scale, which is caused by local bond length elongation and the direct renormalization of band energies due to temperature-dependent electron–phonon interactions. PMID:26798793

Disentangling formation of multiple-core holes in aminophenol molecules exposed to bright X-FEL radiation

DOE PAGES

Zhaunerchyk, V.; Kaminska, M.; Mucke, M.; ...

2015-10-28

Competing multi-photon ionization processes, some leading to the formation of double core hole states, have been examined in 4-aminophenol. The experiments used the linac coherent light source (LCLS) x-ray free electron laser, in combination with a time-of-flight magnetic bottle electron spectrometer and the correlation analysis method of covariance mapping. Furthermore, the results imply that 4-aminophenol molecules exposed to the focused x-ray pulses of the LCLS sequentially absorb more than two x-ray photons, resulting in the formation of multiple core holes as well as in the sequential removal of photoelectrons and Auger electrons (so-called PAPA sequences).

[Serum PTH levels as a predictive factor of hypocalcaemia after total thyroidectomy].

PubMed

Díez Alonso, Manuel; Sánchez López, José Daniel; Sánchez-Seco Peña, María Isabel; Ratia Jiménez, Tomás; Arribas Gómez, Ignacio; Rodríguez Pascual, Angel; Martín-Duce, Antonio; Guadalix Hidalgo, Gregorio; Hernández Domínguez, Sara; Granell Vicent, Javier

2009-02-01

Postoperative parathyroid hormone (PTH) levels as a predictor of hypocalcaemia in patients subjected to total thyroidectomy is analyzed. Prospective study involving 67 patients who underwent total thyroidectomy due to a benign disease. Serum PTH and ionised calcium were measured 20 h after surgery. Sensitivity, specificity and predictive values of PTH and ionised calcium levels were calculated to predict clinical and analytical hypocalcaemia. A total of 42 (62.7%) patients developed hypocalcaemia (ionised calcium<0.95 mmol/l), but only 20 (29.9%) presented with symptoms. PTH concentration the day after surgery was significantly lower in the group that developed symptomatic hypocalcaemia (5.57+/-6.4 pg/ml) than in the asymptomatic (21.5+/-15.3 pg/ml) or normocalcaemic (26.8+/-24.9 pg/ml) groups (p=0.001). Taking the value of 13 pg/ml as a cut-off point of PTH levels, sensitivity, specificity, positive predictive value and negative predictive value were 54%, 72%, 76% and 48%, respectively. On the other hand, sensitivity for predicting symptomatic hypocalcaemia was 95% and specificity was 76%. The test showed a high incidence of false positives (11/30, 36%). Negative predictive value was 97% and positive predictive value was 65%. In multivariate analysis, PTH and ionised calcium were the only perioperative factors that showed an independent predictive value as risk indicators of symptomatic hypocalcaemia. Normal PTH levels 20 h after surgery practically rule out the subsequent appearance of hypocalcaemia symptoms. On the other hand, low PTH levels are not necessarily associated to symptomatic hypocalcaemia due to the high number of false positives.

Common strategic research agenda for radiation protection in medicine.

PubMed

2017-04-01

Reflecting the change in funding strategies for European research projects, and the goal to jointly improve medical radiation protection through sustainable research efforts, five medical societies involved in the application of ionising radiation (European Association of Nuclear Medicine, EANM; European Federation of Organizations for Medical Physics. EFOMP; European Federation of Radiographer Societies, EFRS; European Society of Radiology, ESR; European Society for Radiotherapy and Oncology, ESTRO) have identified research areas of common interest and developed this first edition of the Common Strategic Research Agenda (SRA) for medical radiation protection. The research topics considered necessary and most urgent for effective medical care and efficient in terms of radiation protection are summarised in five main themes: 1. Measurement and quantification in the field of medical applications of ionising radiation 2. Normal tissue reactions, radiation-induced morbidity and long-term health problems 3. Optimisation of radiation exposure and harmonisation of practices 4. Justification of the use of ionising radiation in medical practice 5. Infrastructures for quality assurance The SRA is a living document; thus comments and suggestions by all stakeholders in medical radiation protection are welcome and will be dealt with by the European Alliance for Medical Radiation Protection Research (EURAMED) established by the above-mentioned societies. • Overcome the fragmentation of medical radiation protection research in Europe • Identify research areas of joint interest in the field of medical radiation protection • Improve the use of ionising radiation in medicine • Collect stakeholder feedback and seek consensus • Emphasise importance of clinical translation and evaluation of research results.

Electron core ionization in compressed alkali metal cesium

NASA Astrophysics Data System (ADS)

Degtyareva, V. F.

2018-01-01

Elements of groups I and II in the periodic table have valence electrons of s-type and are usually considered as simple metals. Crystal structures of these elements at ambient pressure are close-packed and high-symmetry of bcc and fcc-types, defined by electrostatic (Madelung) energy. Diverse structures were found under high pressure with decrease of the coordination number, packing fraction and symmetry. Formation of complex structures can be understood within the model of Fermi sphere-Brillouin zone interactions and supported by Hume-Rothery arguments. With the volume decrease there is a gain of band structure energy accompanied by a formation of many-faced Brillouin zone polyhedra. Under compression to less than a half of the initial volume the interatomic distances become close to or smaller than the ionic radius which should lead to the electron core ionization. At strong compression it is necessary to assume that for alkali metals the valence electron band overlaps with the upper core electrons, which increases the valence electron count under compression.

Low temperature nano-spin filtering using a diluted magnetic semiconductor core-shell quantum dot

NASA Astrophysics Data System (ADS)

Chattopadhyay, Saikat; Sen, Pratima; Andrews, Joshep Thomas; Sen, Pranay Kumar

2014-07-01

The spin polarized electron transport properties and spin polarized tunneling current have been investigated analytically in a diluted magnetic semiconductor core-shell quantum dot in the presence of applied electric and magnetic fields. Assuming the electron wave function to satisfy WKB approximation, the electron energy eigenvalues have been calculated. The spin polarized tunneling current and the spin dependent tunneling coefficient are obtained by taking into account the exchange interaction and Zeeman splitting. Numerical estimates made for a specific diluted magnetic semiconductor, viz., Zn1-xMnxSe/ZnS core-shell quantum dot establishes the possibility of a nano-spin filter for a particular biasing voltage and applied magnetic field. Influence of applied voltage on spin polarized electron transport has been investigated in a CSQD.

Core excitation effects on oscillator strengths for transitions in four electron atomic systems

NASA Astrophysics Data System (ADS)

Chang, T. N.; Luo, Yuxiang

2007-06-01

By including explicitly the electronic configurations with two and three simultaneously excited electronic orbital, we have extended the BSCI (B-spline based configuration interaction) method [1] to estimate directly the effect of inner shell core excitation to oscillator strengths for transitions in four-electron atomic systems. We will present explicitly the change in oscillator strengths due to core excitations, especially for transitions involving doubly excited states and those with very small oscillator strengths. The length and velocity results are typically in agreement better than 1% or less. [1] Tu-nan Chang, in Many-body Theory of Atomic Structure and Photoionization, edited by T. N. Chang (World Scientific, Singapore, 1993), p. 213-47; and T. N. Chang and T. K. Fang, Elsevier Radiation Physics and Chemistry 70, 173-190 (2004).

Cold and warm electrons at comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Eriksson, A. I.; Engelhardt, I. A. D.; André, M.; Boström, R.; Edberg, N. J. T.; Johansson, F. L.; Odelstad, E.; Vigren, E.; Wahlund, J.-E.; Henri, P.; Lebreton, J.-P.; Miloch, W. J.; Paulsson, J. J. P.; Simon Wedlund, C.; Yang, L.; Karlsson, T.; Jarvinen, R.; Broiles, T.; Mandt, K.; Carr, C. M.; Galand, M.; Nilsson, H.; Norberg, C.

2017-09-01

Context. Strong electron cooling on the neutral gas in cometary comae has been predicted for a long time, but actual measurements of low electron temperature are scarce. Aims: Our aim is to demonstrate the existence of cold electrons in the inner coma of comet 67P/Churyumov-Gerasimenko and show filamentation of this plasma. Methods: In situ measurements of plasma density, electron temperature and spacecraft potential were carried out by the Rosetta Langmuir probe instrument, LAP. We also performed analytical modelling of the expanding two-temperature electron gas. Results: LAP data acquired within a few hundred km from the nucleus are dominated by a warm component with electron temperature typically 5-10 eV at all heliocentric distances covered (1.25 to 3.83 AU). A cold component, with temperature no higher than about 0.1 eV, appears in the data as short (few to few tens of seconds) pulses of high probe current, indicating local enhancement of plasma density as well as a decrease in electron temperature. These pulses first appeared around 3 AU and were seen for longer periods close to perihelion. The general pattern of pulse appearance follows that of neutral gas and plasma density. We have not identified any periods with only cold electrons present. The electron flux to Rosetta was always dominated by higher energies, driving the spacecraft potential to order - 10 V. Conclusions: The warm (5-10 eV) electron population observed throughout the mission is interpreted as electrons retaining the energy they obtained when released in the ionisation process. The sometimes observed cold populations with electron temperatures below 0.1 eV verify collisional cooling in the coma. The cold electrons were only observed together with the warm population. The general appearance of the cold population appears to be consistent with a Haser-like model, implicitly supporting also the coupling of ions to the neutral gas. The expanding cold plasma is unstable, forming filaments that we observe as pulses.

Theory of long-range interactions for Rydberg states attached to hyperfine-split cores

NASA Astrophysics Data System (ADS)

Robicheaux, F.; Booth, D. W.; Saffman, M.

2018-02-01

The theory is developed for one- and two-atom interactions when the atom has a Rydberg electron attached to a hyperfine-split core state. This situation is relevant for some of the rare-earth and alkaline-earth atoms that have been proposed for experiments on Rydberg-Rydberg interactions. For the rare-earth atoms, the core electrons can have a very substantial total angular momentum J and a nonzero nuclear spin I . In the alkaline-earth atoms there is a single (s ) core electron whose spin can couple to a nonzero nuclear spin for odd isotopes. The resulting hyperfine splitting of the core state can lead to substantial mixing between the Rydberg series attached to different thresholds. Compared to the unperturbed Rydberg series of the alkali-metal atoms, the series perturbations and near degeneracies from the different parity states could lead to qualitatively different behavior for single-atom Rydberg properties (polarizability, Zeeman mixing and splitting, etc.) as well as Rydberg-Rydberg interactions (C5 and C6 matrices).

The radial gradients and collisional properties of solar wind electrons

NASA Technical Reports Server (NTRS)

Gilvie, K. W.; Scudder, J. D.

1977-01-01

The plasma instrument on Mariner 10 carried out measurements of electron density and temperature in the interplanetary medium between heliocentric distances of 0.85 and 0.45 AU. Due to the stable coronal configuration and low solar activity during the period of observation, the radial variations of these quantities could be obtained. The power-law exponent of the core temperature was measured to be -0.3 + or - 0.04, and the halo temperature was found to be almost independent of heliocentric distance. The exponent of the power law for the density variation was 2.5 + or - 0.2 and the extrapolated value at 1 AU was consistent with measured values during the same period. Calculations of the core electron self-collision time, and the core-halo equipartition time were made as a function of radial distance. These measurements indicate a macroscale picture of a Coulomb-collisional core and a collisionless isothermal halo. Extrapolating back to the sun, core and halo temperatures become equal at a radial distance of approx. 2-15 radii.

Catching the electron in action in real space inside a Ge-Si core-shell nanowire transistor.

PubMed

Jaishi, Meghnath; Pati, Ranjit

2017-09-21

Catching the electron in action in real space inside a semiconductor Ge-Si core-shell nanowire field effect transistor (FET), which has been demonstrated (J. Xiang, W. Lu, Y. Hu, Y. Wu, H. Yan and C. M. Lieber, Nature, 2006, 441, 489) to outperform the state-of-the-art metal oxide semiconductor FET, is central to gaining unfathomable access into the origin of its functionality. Here, using a quantum transport approach that does not make any assumptions on electronic structure, charge, and potential profile of the device, we unravel the most probable tunneling pathway for electrons in a Ge-Si core-shell nanowire FET with orbital level spatial resolution, which demonstrates gate bias induced decoupling of electron transport between the core and the shell region. Our calculation yields excellent transistor characteristics as noticed in the experiment. Upon increasing the gate bias beyond a threshold value, we observe a rapid drop in drain current resulting in a gate bias driven negative differential resistance behavior and switching in the sign of trans-conductance. We attribute this anomalous behavior in drain current to the gate bias induced modification of the carrier transport pathway from the Ge core to the Si shell region of the nanowire channel. A new experiment involving a four probe junction is proposed to confirm our prediction on gate bias induced decoupling.

Evidence-based use of electronic clinical tracking systems in advanced practice registered nurse education: an integrative review.

PubMed

Branstetter, M Laurie; Smith, Lynette S; Brooks, Andrea F

2014-07-01

Over the past decade, the federal government has mandated healthcare providers to incorporate electronic health records into practice by 2015. This technological update in healthcare documentation has generated a need for advanced practice RN programs to incorporate information technology into education. The National Organization of Nurse Practitioner Faculties created core competencies to guide program standards for advanced practice RN education. One core competency is Technology and Information Literacy. Educational programs are moving toward the utilization of electronic clinical tracking systems to capture students' clinical encounter data. The purpose of this integrative review was to evaluate current research on advanced practice RN students' documentation of clinical encounters utilizing electronic clinical tracking systems to meet advanced practice RN curriculum outcome goals in information technology as defined by the National Organization of Nurse Practitioner Faculties. The state of the science depicts student' and faculty attitudes, preferences, opinions, and data collections of students' clinical encounters. Although electronic clinical tracking systems were utilized to track students' clinical encounters, these systems have not been evaluated for meeting information technology core competency standards. Educational programs are utilizing electronic clinical tracking systems with limited evidence-based literature evaluating the ability of these systems to meet the core competencies in advanced practice RN programs.

Core drug-drug interaction alerts for inclusion in pediatric electronic health records with computerized prescriber order entry.

PubMed

Harper, Marvin B; Longhurst, Christopher A; McGuire, Troy L; Tarrago, Rod; Desai, Bimal R; Patterson, Al

2014-03-01

The study aims to develop a core set of pediatric drug-drug interaction (DDI) pairs for which electronic alerts should be presented to prescribers during the ordering process. A clinical decision support working group composed of Children's Hospital Association (CHA) members was developed. CHA Pharmacists and Chief Medical Information Officers participated. Consensus was reached on a core set of 19 DDI pairs that should be presented to pediatric prescribers during the order process. We have provided a core list of 19 high value drug pairs for electronic drug-drug interaction alerts to be recommended for inclusion as high value alerts in prescriber order entry software used with a pediatric patient population. We believe this list represents the most important pediatric drug interactions for practical implementation within computerized prescriber order entry systems.

Occupational external exposure to ionising radiation in France (2005-2011).

PubMed

Feuardent, J; Scanff, P; Crescini, D; Rannou, A

2013-12-01

The Institute for Radiological Protection and Nuclear Safety (IRSN) produces the French annual report on occupational exposure to ionising radiation, collecting all national data and aggregating the results according to a unique activity classification expected to be shared by all involved in personal dosimetric monitoring (employers, external dosimetry services and IRSN). Nearly 344,000 monitored workers were counted in France in 2011, with a collective dose of 64.24 man.Sv. The average annual dose (as calculated over the number of measurably exposed workers) differed among the main activity fields: 0.54 mSv in medical and veterinary activities, 1.18 mSv in the nuclear field, 1.60 mSv in non-nuclear industry and 0.47 mSv in research activities. Because of improved knowledge about worker activities, the results for year 2011 are detailed per activity sectors in each field. Lasting limitations prevent from having complete and reliable worker activity information. Solutions are considered to reduce the inaccuracy in the annually published statistics. The evolution of occupational external exposure to ionising radiation from 2005 to 2011 in France is then presented for the main activity fields.

Prediction of intestinal absorption and metabolism of pharmacologically active flavones and flavanones.

PubMed

Serra, H; Mendes, T; Bronze, M R; Simplício, Ana Luísa

2008-04-01

Three glycosilated flavonoids (diosmin, hesperidin and naringin) and respective aglycones were characterized in terms of their apparent ionisation constants and bidirectional permeability using the cellular model Caco-2 as well as the artificial membrane model PAMPA. Ionisation curves were established by capillary electrophoresis. It was confirmed that significant amounts of the aglycones are ionised at physiological pH whereas the glycosides are in the neutral form. Permeation was not detected for the glycosides in either the apical-to-basolateral or basolateral-to-apical directions confirming the need for metabolism before absorption through the intestinal membrane. The aglycones permeated in both directions with apparent permeabilities (P(app)) in the range of 1-8x10(-5) cm/s. The results from both in vitro methods correlated providing some evidence of passive transport; however, the hypothesis of active transport cannot be excluded particularly in the case of diosmetin. Metabolism of the aglycones was detected with the cell model, more extensively when loading in the apical side. Some of the metabolites were identified as glucuronide conjugates by enzymatic hydrolysis.

Explosive detection using a novel dielectric barrier discharge ionisation source for mass spectrometry.

PubMed

Fletcher, Carl; Sleeman, Richard; Luke, John; Luke, Peter; Bradley, James W

2018-03-01

The detection of explosives is of great importance, as is the need for sensitive, reliable techniques that require little or no sample preparation and short run times for high throughput analysis. In this work, a novel ionisation source is presented based on a dielectric barrier discharge (DBD). This not only affects desorption and ionisation but also forms an ionic wind, providing mass transportation of ions towards the mass spectrometer. Furthermore, the design incorporates 2 asymmetric alumina sheets, each containing 3 DBDs, so that a large surface area can be analysed. The DBD operates in ambient air, overcoming the limitation of other plasma-based techniques which typically analyse smaller surface areas and require solvents or gases. A range of explosives across 4 different functional groups was analysed using the DBD with low limits of detection for cyclotrimethylene trinitramine (RDX) (100 pg), pentaerythritol trinitrate (PETN) (100 pg), hexamethylene triperoxide diamide (HMTD) (1 ng), and trinitrotoluene (TNT) (5 ng). Detection was achieved without any sample preparation or the addition of reagents to facilitate adduct formation. Copyright © 2017 John Wiley & Sons, Ltd.

Theoretical studies on the electronic and optoelectronic properties of [A.2AP(w)/A*.2AP(WC)/C.2AP(w)/C*.2AP(WC)/C.A(w)/C*.A(WC)]-Au8 mismatch nucleobase complexes

NASA Astrophysics Data System (ADS)

Srivastava, Ruby

2018-01-01

The electronic and optoelectronic properties of [A.2AP(w)/A*.2AP(WC)/C.2AP(w)/C*.2AP(WC)/C.A(w)/ C*.A(WC)]-Au8 metal-mismatch nucleobase complexes are investigated by means of density functional theory and time-dependent methods. We selected these mispairs as 2-aminopurine (2AP) produces incorporation errors when binding with cytosine (C) into the wobble (w) C.2AP(w) mispair, and is tautomerised into Watson-Crick (WC)-like base mispair C*.2AP(WC) and less effectively produces A.2AP(w)/A*.2AP(WC) mispairs. The vertical ionisation potential, vertical electron affinity, hardness and electrophilicity index of these complexes have also been discussed. The modifications of energy levels and charge density distributions of the frontier orbitals are also analysed. The absorption spectra of these complexes lie in the visible region, which suggests their application in fluorescent-bio imaging. The mechanism of cooperativity effect is studied by molecular orbital potential (MEP), atoms-in-molecules (AIM) and natural bond orbital analyses. Most metalated pairs have smaller HOMO-LUMO band gaps than the isolated mismatch nucleobases which suggest interesting consequences for electron transfer through DNA duplexes.

The modified unified interaction model: incorporation of dose-dependent localised recombination.

PubMed

Lavon, A; Eliyahu, I; Oster, L; Horowitz, Y S

2015-02-01

The unified interaction model (UNIM) was developed to simulate thermoluminescence (TL) linear/supralinear dose-response and the dependence of the supralinearity on ionisation density, i.e. particle type and energy. Before the development of the UNIM, this behaviour had eluded all types of TL modelling including conduction band/valence band (CB/VB) kinetic models. The dependence of the supralinearity on photon energy was explained in the UNIM as due to the increasing role of geminate (localised recombination) with decreasing photon/electron energy. Recently, the Ben Gurion University group has incorporated the concept of trapping centre/luminescent centre (TC/LC) spatially correlated complexes and localised/delocalised recombination into the CB/VB kinetic modelling of the LiF:Mg,Ti system. Track structure considerations are used to describe the relative population of the TC/LC complexes by an electron-hole or by an electron-only as a function of both photon/electron energy and dose. The latter dependence was not included in the original UNIM formulation, a significant over-simplification that is herein corrected. The modified version, the M-UNIM, is then applied to the simulation of the linear/supralinear dose-response characteristics of composite peak 5 in the TL glow curve of LiF:Mg,Ti at two representative average photon/electron energies of 500 and 8 keV. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Fabrication of core-shell micro/nanoparticles for programmable dual drug release by emulsion electrospraying

NASA Astrophysics Data System (ADS)

Wang, Yazhou; Zhang, Yiqiong; Wang, Bochu; Cao, Yang; Yu, Qingsong; Yin, Tieying

2013-06-01

The study aimed at constructing a novel drug delivery system for programmable multiple drug release controlled with core-shell structure. The core-shell structure consisted of chitosan nanoparticles as core and polyvinylpyrrolidone micro/nanocoating as shell to form core-shell micro/nanoparticles, which was fabricated by ionic gelation and emulsion electrospray methods. As model drug agents, Naproxen and rhodamine B were encapsulated in the core and shell regions, respectively. The core-shell micro/nanoparticles thus fabricated were characterized and confirmed by scanning electron microscope, transmission electron microscope, and fluorescence optical microscope. The core-shell micro/nanoparticles showed good release controllability through drug release experiment in vitro. It was noted that a programmable release pattern for dual drug agents was also achieved by adjusting their loading regions in the core-shell structures. The results indicate that emulsion electrospraying technology is a promising approach in fabrication of core-shell micro/nanoparticles for programmable dual drug release. Such a novel multi-drug delivery system has a potential application for the clinical treatment of cancer, tuberculosis, and tissue engineering.

Helicons, History, High Technology and Heliacs

NASA Astrophysics Data System (ADS)

Boswell, Rod

1998-11-01

Helicon waves depend basically on the Hall effect and propagate between the ion and electron gyro frequencies: they are whistlers masquerading under another name hence their history goes back to the great war and subsequently involved such people as Appleton, Hartree and Storey. Considerable experimental and theoretical research was carried out on linear propagation during the 1960's and at the end of the decade it was discovered that the wave could actually heat the plasma electrons and increase the ionisation rate considerably. Nothing much happened during the 1970's but in the early 1980's it was realised that this high density source could be used for processing thin films and an increasing number of papers were published, which continues to this day. The first experiments on using helicons to create and heat toroidal plasmas were carried out at the end of the 1980's in a small heliac. Recent experiments with helicon excitation in the large heliac H1 at the ANU have shown that the ion temperature increases with the wave power. This mystery is being actively investigated.

First experiences with the LHC BLM sanity checks

NASA Astrophysics Data System (ADS)

Emery, J.; Dehning, B.; Effinger, E.; Nordt, A.; Sapinski, M. G.; Zamantzas, C.

2010-12-01

The reliability concerns have driven the design of the Large Hardron Collider (LHC) Beam Loss Monitoring (BLM) system from the early stage of the studies up to the present commissioning and the latest development of diagnostic tools. To protect the system against non-conformities, new ways of automatic checking have been developed and implemented. These checks are regularly and systematically executed by the LHC operation team to ensure that the system status is after each test "as good as new". The sanity checks are part of this strategy. They are testing the electrical part of the detectors (ionisation chamber or secondary emission detector), their cable connections to the front-end electronics, further connections to the back-end electronics and their ability to request a beam abort. During the installation and in the early commissioning phase, these checks have shown their ability to find also non-conformities caused by unexpected failure event scenarios. In every day operation, a non-conformity discovered by this check inhibits any further injections into the LHC until the check confirms the absence of non-conformities.

Electronic nicotine delivery systems: regulatory and safety challenges: Singapore perspective.

PubMed

Cheah, Nuan Ping; Chong, Norman Wee Lin; Tan, Jing; Morsed, Faridatul Akmam; Yee, Shen Kuan

2014-03-01

Many electronic nicotine delivery systems (ENDS) are marketed as safer tobacco alternative products or effective cessation therapies. ENDS samples were evaluated for design features, including nicotine and glycols content. This could be useful in developing a legal framework to handle ENDS. Identification of the nicotine, glycerol and propylene glycol (PPG) contents was conducted using gas chromatography mass spectrometry with quantification performed using flame ionisation techniques. Varying nicotine amounts were found in ENDS cartridges which were labelled with the same concentration. Chemicals such as PPG and glycerol were found to be present in the nicotine-containing liquid of the cartridges. ENDS varied in their contents and packaging information. Limited information was available on the contents of nicotine and other chemicals present in a variety of ENDS sampled. Based on samples tested in this study, many contain misleading information on product ingredients. The results show poor consistency between actual nicotine content analysed on ENDS cartridges and the amount labelled. These findings raise safety and efficacy concerns for current and would-be recreational users or those trying to quit smoking.

Development of a pMOSFET sensor with a Gd converter for low energy neutron dosimetry.

PubMed

Lee, N H; Kim, S H; Youk, G U; Park, I J; Kim, Y M

2004-01-01

A pMOSFET having a 10 microm thick Gadolinium (Gd) layer has been invented as a slow neutron sensor. When slow neutrons are incident to the Gd layer, conversion electrons, which generate electron-hole pairs in the SiO2 layer of the pMOSFET, are generated by a neutron capture process. The holes are easily trapped in the oxide and act as positive-charge centres in the oxide. Due to the induced charges, the threshold turn-on voltage of the pMOSFET is changed. The developed sensors were tested at a neutron beam port of the HANARO research reactor and a 60Co irradiation facility to investigate slow neutron response and gamma ray contamination, respectively. The resultant voltage change was proportional to the accumulated neutron dose and it was very sensitive to slow neutrons. Moreover, ionising radiation contamination was negligible. It can also be used in a mixed radiation field by subtracting the voltage change of a pMOSFET without Gd from that of the Gd-pMOSFET.

Muonium formation at keV energies

NASA Astrophysics Data System (ADS)

Prokscha, T.; Morenzoni, E.; Garifianov, N.; Glückler, H.; Khasanov, R.; Luetkens, H.; Suter, A.

2003-02-01

Charge differentiation in μ + or muonium (Mu) as a consequence of the slowing down of μ + in matter is of fundamental interest in the μSR method. It is also of relevance for understanding the moderation process of μ + in van der Waals solids like s-Ne, s-Ar or s-N 2, which are the most suitable materials to generate epithermal μ + serving as a source for low-energy μ + (LE-μ +) beams. The LE-μ + beam at the Paul Scherrer Institut (PSI) allows us to study the formation of Mu at low implantation energies (0.5- 30 keV) in insulators and semiconductors. These investigations may help to clarify the interaction between the μ + and the electrons of its ionisation track since the number of track electrons can be tuned by varying the implantation energy. We present the first results of LE-μSR investigations on thin van der Waals solids (s-Ar, s-Xe), fused quartz ( SUPRASIL) and a quartz crystal, where the μ + and Mu fractions were measured as a function of the implantation energy.

In-Orbit Monitoring of Space Weather and Its Effects on Commercial- Off-The-Shelf (COTS) Electronics - A Decade of Research Using Micro-Satellites

NASA Astrophysics Data System (ADS)

Underwood, Craig I.; Sweeting, Martin, , Sir

2002-01-01

Over the past 20 years the University of Surrey has gained significant experience in the use of commercial-off-the-shelf (COTS) devices operating in low-Earth orbit through the design, manufacture, launch and operation of more than a dozen "UoSAT" micro-satellites. The deleterious effects of the ionising radiation environment is of particular concern when using COTS technologies in space, and over the last decade, particular emphasis has been given to a programme of monitoring "space weather" in terms of the high energy proton and heavy-ion cosmic-ray environment these spacecraft encounter, and to observing and analysing its effects - particularly with regard to single-event effects - upon the COTS devices on-board. The extended period of research has enabled a wide variety of conditions to be observed ranging across an entire solar cycle. This paper reports on the environment and effects observed, and describes the various methodologies that have been used to minimise the risk associated with the use of COTS devices in space. The practical importance of resilient error-detection and correction coding schemes to protect spacecraft data and control software is shown, as is the need for adequate levels of shielding against total ionising radiation dose. The relative effects of Galactic-Cosmic-Rays (GCRs), Solar Proton Events (SPEs) and trapped proton environments in Low-Earth orbit are discussed, and more recent flight data extends these observations out to very high orbit - approx 60,000 km altitude. As well as gaining practical data on space weather and its effects on advanced electronics, the research has resulted in the design and construction of a series of inexpensive, compact, and low- power particle detectors, which are capable of providing routine environmental "health" warnings for future operational spacecraft. Low cost micro-satellites have proven to be ideal vehicles for quick response and cost effective space technology verification missions, where environmental data has been gathered with regard to providing practical engineering data on systems' performance and reliability.

Development of a Primary Standard for Calibration of [18F]FDG Activity Measurement Systems

NASA Astrophysics Data System (ADS)

Capogni, M.; DeFelice, P.; Fazio, A.; Simonelli, F.; D'Ursi, V.; Pecorale, A.; Giliberti, C.; Abbas, K.

2006-05-01

The 18F national primary standard was developed by the INMRI-ENEA using the 4πβ Liquid Scintillation Spectrometry Method with 3H-Standard Efficiency Tracing. Measurements were performed at JRCIspra under a scientific collaboration between the Institute for Health and Consumer Production, the Amersham Health and the National Institute for Occupational Safety and Prevention (ISPESL). The goal of the work was to calibrate, with minimum uncertainty, the INMRI-ENEA transfer standard portable well-type ionisation chamber as well as other JRC-Ispra and Amersham Health reference Ionising Chambers used for FDG activity measurement.

The low dose gamma ionising radiation impact upon cooperativity of androgen-specific proteins.

PubMed

Filchenkov, Gennady N; Popoff, Eugene H; Naumov, Alexander D

2014-01-01

The paper deals with effects of the ionising radiation (γ-IR, 0.5 Gy) upon serum testosterone (T), characteristics of testosterone-binding globulin (TeBG) and androgen receptor (AR) in parallel with observation of androgen (A) responsive enzyme activity - hexokinase (HK). The interdependence or relationships of T-levels with parameters of the proteins that provide androgenic regulation are consequently analyzed in post-IR dynamics. The IR-stress adjustment data reveal expediency of TeBG- and AR-cooperativity measurements for more precise assessments of endocrine A-control at appropriate emergencies. Copyright © 2013 Elsevier Ltd. All rights reserved.

Stability of a Bifunctional Cu-Based Core@Zeolite Shell Catalyst for Dimethyl Ether Synthesis Under Redox Conditions Studied by Environmental Transmission Electron Microscopy and In Situ X-Ray Ptychography.

PubMed

Baier, Sina; Damsgaard, Christian D; Klumpp, Michael; Reinhardt, Juliane; Sheppard, Thomas; Balogh, Zoltan; Kasama, Takeshi; Benzi, Federico; Wagner, Jakob B; Schwieger, Wilhelm; Schroer, Christian G; Grunwaldt, Jan-Dierk

2017-06-01

When using bifunctional core@shell catalysts, the stability of both the shell and core-shell interface is crucial for catalytic applications. In the present study, we elucidate the stability of a CuO/ZnO/Al2O3@ZSM-5 core@shell material, used for one-stage synthesis of dimethyl ether from synthesis gas. The catalyst stability was studied in a hierarchical manner by complementary environmental transmission electron microscopy (ETEM), scanning electron microscopy (SEM) and in situ hard X-ray ptychography with a specially designed in situ cell. Both reductive activation and reoxidation were applied. The core-shell interface was found to be stable during reducing and oxidizing treatment at 250°C as observed by ETEM and in situ X-ray ptychography, although strong changes occurred in the core on a 10 nm scale due to the reduction of copper oxide to metallic copper particles. At 350°C, in situ X-ray ptychography indicated the occurrence of structural changes also on the µm scale, i.e. the core material and parts of the shell undergo restructuring. Nevertheless, the crucial core-shell interface required for full bifunctionality appeared to remain stable. This study demonstrates the potential of these correlative in situ microscopy techniques for hierarchically designed catalysts.

PMMA/PS coaxial electrospinning: core-shell fiber morphology as a function of material parameters

NASA Astrophysics Data System (ADS)

Rahmani, Shahrzad; Arefazar, Ahmad; Latifi, Masoud

2017-03-01

Core-shell fibers of polymethyl methacrylate (PMMA) and polystyrene (PS) have been successfully electrospun by coaxial electrospinning. To evaluate the influence of the solvent on the final fiber morphology, four types of organic solvents were used in the shell solution while the core solvent was preserved. Morphological observations with scanning electron microscopy, transmission electron microscopy and optical microscopy revealed that both core and shell solvent properties were involved in the final fiber morphology. To explain this involvement, alongside a discussion of the Bagley solubility graph of PS and PMMA, a novel criterion based on solvent physical properties was introduced. A theoretical model based on the momentum conservation principle was developed and applied for describing the dependence of the core and shell diameters to their solvent combinations. Different concentrations of core and shell were also investigated in the coaxial electrospinning of PMMA/PS. The core-shell fiber morphologies with different core and shell concentrations were compared with their single electrospun fibers.

Electron-ion relaxation in a dense plasma. [supernovae core physics

NASA Technical Reports Server (NTRS)

Littleton, J. E.; Buchler, J.-R.

1974-01-01

The microscopic physics of the thermonuclear runaway in highly degenerate carbon-oxygen cores is investigated to determine if and how a detonation wave is generated. An expression for the electron-ion relaxation time is derived under the assumption of large degeneracy and extreme relativity of the electrons in a two-temperature plasma. Since the nuclear burning time proves to be several orders of magnitude shorter than the relaxation time, it is concluded that in studying the structure of the detonation wave the electrons and ions must be treated as separate fluids.

Dissociation of MgSiO3 in the cores of gas giants and terrestrial exoplanets.

PubMed

Umemoto, Koichiro; Wentzcovitch, Renata M; Allen, Philip B

2006-02-17

CaIrO3-type MgSiO3 is the planet-forming silicate stable at pressures and temperatures beyond those of Earth's core-mantle boundary. First-principles quasiharmonic free-energy computations show that this mineral should dissociate into CsCl-type MgO cotunnite-type SiO2 at pressures and temperatures expected to occur in the cores of the gas giants + and in terrestrial exoplanets. At approximately 10 megabars and approximately 10,000 kelvin, cotunnite-type SiO2 should have thermally activated electron carriers and thus electrical conductivity close to metallic values. Electrons will give a large contribution to thermal conductivity, and electronic damping will suppress radiative heat transport.

The radial gradients and collisional properties of solar wind electrons

NASA Technical Reports Server (NTRS)

Ogilvie, K. W.; Scudder, J. D.

1978-01-01

The plasma electron detector on Mariner 10 is used to obtain measurements of electron density and temperature in the interplanetary medium between heliocentric distances of 0.85 and 0.45 AU. The observations show quantitatively that the core of the electron distribution function can be described as collisional at least for radial distances within 1 AU, since with a very few well-marked exceptions associated with high-speed streams, the Coulomb collisional momentum relaxation length is less than the density scale height at all times and all radial distances at which data were obtained. It is found that the Coulomb energy exchange collisions between the core and the (test) halo population are negligible. The power law exponent of the core temperature is about -0.3, whereas the halo temperature is almost independent of heliocentric distance.

In situ TEM and analytical STEM studies of ZnO nanotubes with Sn cores and Sn nanodrops

NASA Astrophysics Data System (ADS)

Ortega, Y.; Jäger, W.; Piqueras, J.; Häussler, D.; Fernández, P.

2013-10-01

ZnO nanorods with Sn core regions grown by a thermal evaporation-deposition method from a mixture of SnO2 and ZnS powders as precursors, are used to study the behaviour of liquid metal in the nanotubes' core regions and the formation of liquid metal nanodrops at the tube ends by in situ TEM experiments. The compositions of the core materials and of the nanodrops were assessed by employing HAADF-STEM imaging and spatially resolved EDXS measurements. By applying variable thermal load through changing the electron-beam flux of the electron microscope, melting of the metallic core can be induced and the behaviour of the liquid metal of the nanorods can be monitored locally. Within the nanorod core, melting and reversible thermal expansion and contraction of Sn core material is reproducibly observed. For nanotubes with core material near-tip regions, a nanodrop emerges from the tip upon melting the core material, followed by reabsorption of the melt into the core and re-solidification upon decreasing the heat load, being reminiscent of a ‘soldering nanorod’. The radius of the liquid nanodrop can reach a few tens of nanometres, containing a total volume of 10-20 up to 10-18 l of liquid Sn. In situ TEM confirms that the radius of the nanodrop can be controlled via the thermal load: it increases with increasing temperature and decreases with decreasing temperature. In addition, some phenomena related to structure modifications during extended electron-beam exposure are also described.

Spin polarization and magnetic dichroism in photoemission from core and valence states in localized magnetic systems. IV. Core-hole polarization in resonant photoemission

NASA Astrophysics Data System (ADS)

van der Laan, Gerrit; Thole, B. T.

1995-12-01

A simple theory is presented for core-hole polarization probed by resonant photoemission in a two-steps approximation. After excitation from a core level to the valence shell, the core hole decays into two shallower core holes under emission of an electron. The nonspherical core hole and the final state selected cause a specific angle and spin distribution of the emitted electron. The experiment is characterized by the ground-state moments, the polarization of the light, and the spin and angular distribution of the emitted electron. The intensity is a sum over ground-state expectation values of tensor operators times the probability to create a polarized core hole using polarized light, times the probability for decay of such a core hole into the final state. We give general expressions for the angle- and spin-dependent intensities in various regimes of Coulomb and spin-orbit interaction: LS, LSJ, and jjJ coupling. The core-polarization analysis, which generalizes the use of sum rules in x-ray absorption spectroscopy where the integrated peak intensities give ground-state expectation values of the spin and orbital moment operators, makes it possible to measure different linear combinations of these operators. As an application the 2p3/23p3p decay in ferromagnetic nickel is calculated using Hartree-Fock values for the radial matrix elements and phase factors, and compared with experiment, the dichroism is smaller in the 3P final state but stronger in the 1D, 1S peak.

Core-core and core-valence correlation energy atomic and molecular benchmarks for Li through Ar

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

Ranasinghe, Duminda S.; Frisch, Michael J.; Petersson, George A., E-mail: gpetersson@wesleyan.edu

2015-12-07

We have established benchmark core-core, core-valence, and valence-valence absolute coupled-cluster single double (triple) correlation energies (±0.1%) for 210 species covering the first- and second-rows of the periodic table. These species provide 194 energy differences (±0.03 mE{sub h}) including ionization potentials, electron affinities, and total atomization energies. These results can be used for calibration of less expensive methodologies for practical routine determination of core-core and core-valence correlation energies.

Nanographenes as electron-deficient cores of donor-acceptor systems.

PubMed

Liu, Yu-Min; Hou, Hao; Zhou, Yan-Zhen; Zhao, Xin-Jing; Tang, Chun; Tan, Yuan-Zhi; Müllen, Klaus

2018-05-15

Conjugation of nanographenes (NGs) with electro-active molecules can establish donor-acceptor π-systems in which the former generally serve as the electron-donating moieties due to their electronic-rich nature. In contrast, here we report a series of reversed donor-acceptor structures are obtained by C-N coupling of electron-deficient perchlorinated NGs with electron-rich anilines. Selective amination at the vertexes of the NGs is unambiguously shown through X-ray crystallography. By varying the donating ability of the anilino groups, the optical and assembly properties of donor-acceptor NGs can be finely modulated. The electron-deficient concave core of the resulting conjugates can host electron-rich guest molecules by intermolecular donor-acceptor interactions and gives rise to charge-transfer supramolecular architectures.

Temperature anisotropy instabilities stimulated by the interplay of the core and halo electrons in space plasmas

NASA Astrophysics Data System (ADS)

Lazar, M.; Shaaban, S. M.; Fichtner, H.; Poedts, S.

2018-02-01

Two central components are revealed by electron velocity distributions measured in space plasmas, a thermal bi-Maxwellian core and a bi-Kappa suprathermal halo. A new kinetic approach is proposed to characterize the temperature anisotropy instabilities driven by the interplay of core and halo electrons. Suggested by the observations in the solar wind, direct correlations of these two populations are introduced as co-variations of the key parameters, e.g., densities, temperature anisotropies, and (parallel) plasma betas. The approach involving correlations enables the instability characterization in terms of either the core or halo parameters and a comparative analysis to depict mutual effects. In the present paper, the instability conditions are described for an extended range of plasma beta parameters, making the new dual approach relevant for a wide variety of space plasmas, including the solar wind and planetary magnetospheres.

Enhanced flexibility and electron-beam-controlled shape recovery in alumina-coated Au and Ag core-shell nanowires

NASA Astrophysics Data System (ADS)

Vlassov, Sergei; Polyakov, Boris; Vahtrus, Mikk; Mets, Magnus; Antsov, Mikk; Oras, Sven; Tarre, Aivar; Arroval, Tõnis; Lõhmus, Rünno; Aarik, Jaan

2017-12-01

The proper choice of coating materials and methods in core-shell nanowire (NW) engineering is crucial to assuring improved characteristics or even new functionalities of the resulting composite structures. In this paper, we have reported electron-beam-induced reversible elastic-to-plastic transition in Ag/Al2O3 and Au/Al2O3 NWs prepared by the coating of Ag and Au NWs with Al2O3 by low-temperature atomic layer deposition. The observed phenomenon enabled freezing the bent core-shell NW at any arbitrary curvature below the yield strength of the materials and later restoring its initially straight profile by irradiating the NW with electrons. In addition, we demonstrated that the coating efficiently protects the core material from fracture and plastic yield, allowing it to withstand significantly higher deformations and stresses in comparison to uncoated NW.

Multiple core-hole formation by free-electron laser radiation in molecular nitrogen

NASA Astrophysics Data System (ADS)

Banks, H. I. B.; Little, D. A.; Emmanouilidou, A.

2018-05-01

We investigate the formation of multiple-core-hole states of molecular nitrogen interacting with a free-electron laser pulse. In previous work, we obtained bound and continuum molecular orbitals in the single-center expansion scheme and used these orbitals to calculate photo-ionization and auger decay rates. We extend our formulation to track the proportion of the population that accesses single-site versus two-site double-core-hole (TSDCH) states, before the formation of the final atomic ions. We investigate the pulse parameters that favor the formation of the single-site and TSDCH as well as triple-core-hole states for 525 and 1100 eV photons.

Cosmic ray radiography of the damaged cores of the Fukushima reactors

DOE PAGES

Borozdin, Konstantin; Greene, Steven; Lukić, Zarija; ...

2012-10-11

The passage of muons through matter is dominated by the Coulomb interaction with electrons and nuclei. The interaction with the electrons leads to continuous energy loss and stopping of the muons. The interaction with nuclei leads to angle “diffusion.” Two muon-imaging methods that use flux attenuation and multiple Coulomb scattering of cosmic-ray muons are being studied as tools for diagnosing the damaged cores of the Fukushima reactors. Here, we compare these two methods. We conclude that the scattering method can provide detailed information about the core. Lastly, attenuation has low contrast and little sensitivity to the core.

Predator-prey dynamics stabilised by nonlinearity explain oscillations in dust-forming plasmas

PubMed Central

Ross, A. E.; McKenzie, D. R.

2016-01-01

Dust-forming plasmas are ionised gases that generate particles from a precursor. In nature, dust-forming plasmas are found in flames, the interstellar medium and comet tails. In the laboratory, they are valuable in generating nanoparticles for medicine and electronics. Dust-forming plasmas exhibit a bizarre, even puzzling behaviour in which they oscillate with timescales of seconds to minutes. Here we show how the problem of understanding these oscillations may be cast as a predator-prey problem, with electrons as prey and particles as predators. The addition of a nonlinear loss term to the classic Lotka-Volterra equations used for describing the predator-prey problem in ecology not only stabilises the oscillations in the solutions for the populations of electrons and particles in the plasma but also explains the behaviour in more detail. The model explains the relative phase difference of the two populations, the way in which the frequency of the oscillations varies with the concentration of the precursor gas, and the oscillations of the light emission, determined by the populations of both species. Our results demonstrate the value of adopting an approach to a complex physical science problem that has been found successful in ecology, where complexity is always present. PMID:27046237

A time-dependent anisotropic plasma chemistry model of the Io plasma torus

NASA Astrophysics Data System (ADS)

Arridge, C. S.

2016-12-01

The physics of the Io plasma torus is typically modelled using one box neutral-plasma chemistry models, often referred to as neutral cloud theory models (e.g., Barbosa 1994; Delamere and Bagenal 2003). These models incorporate electron impact and photoionisation, charge exchange, molecular dissociation/recombination reactions, atomic radiatiative losses and Coulomb collisional heating. Isotropic Maxwellian distributions are usually assumed in the implementation of these models. Observationally a population of suprathermal electrons has been identified in the plasma torus and theoretically they have been shown to be important in reproducing the observed ionisation balance in the torus (e.g., Barbosa 1994). In this paper we describe an anisotropic plasma chemistry model for the Io torus that is inspired by ion cyclotron wave observations (Huddleston et al. 1994; Leisner et al. 2011), ion anisotropies due to pick up (Wilson et al. 2008), and theoretical ideas on the maintenance of the suprathermal electron population (Barbosa 1994). We present both steady state calculations and also time varying solutions (e.g., Delamere et al. 2004) where increases in the neutral source rate in the torus generates perturbations in ion anisotropies that subsequently decay over a timescale much longer than the duration of the initial perturbation. We also present a method for incorporating uncertainties in reaction rates into the model.

DUBLIN CORE

EPA Science Inventory

The Dublin Core is a metadata element set intended to facilitate discovery of electronic resources. It was originally conceived for author-generated descriptions of Web resources, and the Dublin Core has attracted broad ranging international and interdisciplinary support. The cha...

The electronic structure and effective excitonic g factors of GaAs/GaMnAs core-shell nanowires

NASA Astrophysics Data System (ADS)

Li, Dong-Xiao; Xiong, Wen

2017-12-01

We calculate the electronic structures of cylindrical GaAs/GaMnAs core-shell nanowires in the magnetic field based on the eight-band effective-mass kṡp theory, and it is found that the hole states can present strong band-crossings. The probability densities of several lowest electron states and highest hole states at the Γ point are analyzed, and strangely, the distribution of the electron states are more complex than that of the hole states. Furthermore, the components of the electron states will change substantially as the increase of the radius R, which are almost unchanged for the hole states. A very interesting phenomenon is that the effective excitonic g factors gex can be tuned from a large positive value for GaMnAs nanowires to a small negative value for GaAs nanowires, and gex of GaAs nanowires and GaMnAs nanowires will vary slightly and greatly, respectively as the increase of the magnetic field. Meanwhile, we can obtain large gex in cylindrical GaAs/GaMnAs core-shell nanowires when the small magnetic field, the large concentration of manganese ions, the small core radius and the small radius are chosen. Another important result is also found that the radiative intensities of two σ polarized lights can be separated gradually by decreasing the core radius Rc , which can be used to detect two σ polarized lights in the experiment.

Some characteristics of the glutathione cycle revealed by ionising and non-ionising electromagnetic radiation.

PubMed

Holt, J A

1995-10-01

The cyclic reaction of GSH-->GSSG-->GSH (designated R(exp) or R(e)) obeys the three specific features of life by producing energy in exponential quantities relative to time, is in effect irreversible and is inherited from generation to generation. In multicellular life, this reaction produces the energy for mitosis and is kept in controlled inactivity until needed to maintain perfection of form and function by energising mitosis. The immediate control of Re appears to be feedback process-dependent on the concentration of GSSG. Ultra high-frequency electromagnetic radiation of 434 MHz (UHF) will change Re from inactive to active and, in so doing, it causes resonance and/or fluorescence of the glutathione cycle which changes its radiosensitivity. Re is the primary direct target of ionising radiation and produces the energy for mitosis. Clinical observations suggest that, in the normal cell, Re is inactive and is not killed by 3 x 2700 rads or 6 x 1650 rads yet, when active, its sensitivity value (DO) is approximately 160 rads. Using the standard radiobiological equation of response to ionising radiation, it can be deduced that radiosensitive cancers have two or three Re units active per cell and radioresistance increases in proportion to the number of potentially active Re units per cell. Re appears to be the main cause of cancers' increased conductivity of electricity compared with normal tissue. In cancer therapy, UHF is the best radiosensitiser ever discovered (up to two or more decades). Re is also intelligent compared with non-exponential reactions but cannot be the basis of intellectual brain functions which must be based on non-electrical chemical processes.

Response of a core coherent density oscillation on electron cyclotron resonance heating in Heliotron J plasma

NASA Astrophysics Data System (ADS)

Kobayashi, T.; Kobayashi, S.; Lu, X. X.; Kenmochi, N.; Ida, K.; Ohshima, S.; Yamamoto, S.; Kado, S.; Kokubu, D.; Nagasaki, K.; Okada, H.; Minami, T.; Otani, Y.; Mizuuchi, T.

2018-01-01

We report properties of a coherent density oscillation observed in the core region and its response to electron cyclotron resonance heating (ECH) in Heliotron J plasma. The measurement was performed using a multi-channel beam emission spectroscopy system. The density oscillation is observed in a radial region between the core and the half radius. The poloidal mode number is found to be 1 (or 2). By modulating the ECH power with 100 Hz, repetition of formation and deformation of a strong electron temperature gradient, which is likely ascribed to be an electron internal transport barrier, is realized. Amplitude and rotation frequency of the coherent density oscillation sitting at the strong electron temperature gradient location are modulated by the ECH, while the poloidal mode structure remains almost unchanged. The change in the rotation velocity in the laboratory frame is derived. Assuming that the change of the rotation velocity is given by the background E × B velocity, a possible time evolution of the radial electric field was deduced.

Analysis of ionospheric irregularities during total solar eclipse 2016 based on GNSS observation

NASA Astrophysics Data System (ADS)

Husin, A.; Jiyo; Anggarani, S.; Ekawati, S.; Dear, V.

2016-11-01

A total solar eclipse occurred over Indonesia in the morning hours on 9 March 2016. Ionisations in the ionosphere which is associated with the solar radiation during the total eclipse provided a good opportunity to study the ionospheric irregularities. Using global navigation satellite system (GNSS) data taken from dual-frequency receivers in Manado, we investigated and analysed the total electron content (TEC) perturbations with a time resolution of 60 s to reveal ionospheric irregularities during total eclipse. Result showed that TEC conditions based on IPP were decreased during solar eclipse on March 9, comparing with the neighbour day. The maximum percentage deviation (DTEC) from the average value during eclipse period, 00:00 - 02:40 UT reach -41.5%. The duration of maximum decrement in TEC occurs were around 2-30 minutes after the maximum obscuration.

Zigzag-Elongated Fused π-Electronic Core: A Molecular Design Strategy to Maximize Charge-Carrier Mobility.

PubMed

Yamamoto, Akito; Murata, Yoshinori; Mitsui, Chikahiko; Ishii, Hiroyuki; Yamagishi, Masakazu; Yano, Masafumi; Sato, Hiroyasu; Yamano, Akihito; Takeya, Jun; Okamoto, Toshihiro

2018-01-01

Printed and flexible electronics requires solution-processable organic semiconductors with a carrier mobility (μ) of ≈10 cm 2 V -1 s -1 as well as high chemical and thermal durability. In this study, chryseno[2,1- b :8,7- b ']dithiophene (ChDT) and its derivatives, which have a zigzag-elongated fused π-electronic core (π-core) and a peculiar highest occupied molecular orbital (HOMO) configuration, are reported as materials with conceptually new semiconducting π-cores. ChDT and its derivatives are prepared by a versatile synthetic procedure. A comprehensive investigation reveals that the ChDT π-core exhibits increasing structural stability in the bulk crystal phase, and that it is unaffected by a variation of the transfer integral, induced by the perpetual molecular motion of organic materials owing to the combination of its molecular shape and its particular HOMO configuration. Notably, ChDT derivatives exhibit excellent chemical and thermal stability, high charge-carrier mobility under ambient conditions (μ ≤ 10 cm 2 V -1 s -1 ), and a crystal phase that is highly stable, even at temperatures above 250 °C.

Morphology of the ferritin iron core by aberration corrected scanning transmission electron microscopy

NASA Astrophysics Data System (ADS)

Jian, Nan; Dowle, Miriam; Horniblow, Richard D.; Tselepis, Chris; Palmer, Richard E.

2016-11-01

As the major iron storage protein, ferritin stores and releases iron for maintaining the balance of iron in fauna, flora, and bacteria. We present an investigation of the morphology and iron loading of ferritin (from equine spleen) using aberration-corrected high angle annular dark field scanning transmission electron microscopy. Atom counting method, with size selected Au clusters as mass standards, was employed to determine the number of iron atoms in the nanoparticle core of each ferritin protein. Quantitative analysis shows that the nuclearity of iron atoms in the mineral core varies from a few hundred iron atoms to around 5000 atoms. Moreover, a relationship between the iron loading and iron core morphology is established, in which mineral core nucleates from a single nanoparticle, then grows along the protein shell before finally forming either a solid or hollow core structure.

Electronic structure and spectra of the RbHe van der Waals system including spin orbit interaction

NASA Astrophysics Data System (ADS)

Dhiflaoui, Jamila; Bejaoui, Mohamed; Berriche, Hamid

2017-12-01

The potential energy interaction, the spectroscopic properties and dipole functions of the RbHe van der Waals dimer have been investigated. We used a one-electron pseudopotential approach and large Gaussian basis sets to represent the two atoms Rb and He. The Rb+ core and the electron-He interactions were replaced by semi-local pseudopotentials and a core-core interaction is included. Therefore, the number of active electrons of RbHe is reduced to only one electron. Consequently, the potential energy curves and dipole moments for many electronic states dissociating into Rb(5s,5p,4d,6s,6p,5d,7s)+He are performed at the SCF level. In addition, the spin-orbit coupling is included in the calculation. The Rb+He interaction, in its ground state, is taken from accurate CCSD (T) calculations and fitted to an analytical expression for a better description of the potential in all internuclear ranges. The spectroscopic properties of the RbHe electronic states are extracted. The comparison of these constants has shown a very good agreement for the ground state as well as for the lower excited states when compared with existing theoretical and experimental studies.

Interfacial charge separation and recombination in InP and quasi-type II InP/CdS core/shell quantum dot-molecular acceptor complexes.

PubMed

Wu, Kaifeng; Song, Nianhui; Liu, Zheng; Zhu, Haiming; Rodríguez-Córdoba, William; Lian, Tianquan

2013-08-15

Recent studies of group II-VI colloidal semiconductor heterostuctures, such as CdSe/CdS core/shell quantum dots (QDs) or dot-in-rod nanorods, show that type II and quasi-type II band alignment can facilitate electron transfer and slow down charge recombination in QD-molecular electron acceptor complexes. To explore the general applicability of this wave function engineering approach for controlling charge transfer properties, we investigate exciton relaxation and dissociation dynamics in InP (a group III-V semiconductor) and InP/CdS core/shell (a heterostructure beween group III-V and II-VI semiconductors) QDs by transient absorption spectroscopy. We show that InP/CdS QDs exhibit a quasi-type II band alignment with the 1S electron delocalized throughout the core and shell and the 1S hole confined in the InP core. In InP-methylviologen (MV(2+)) complexes, excitons in the QD can be dissociated by ultrafast electron transfer to MV(2+) from the 1S electron level (with an average time constant of 11.4 ps) as well as 1P and higher electron levels (with a time constant of 0.39 ps), which is followed by charge recombination to regenerate the complex in its ground state (with an average time constant of 47.1 ns). In comparison, InP/CdS-MV(2+) complexes show similar ultrafast charge separation and 5-fold slower charge recombination rates, consistent with the quasi-type II band alignment in these heterostructures. This result demonstrates that wave function engineering in nanoheterostructures of group III-V and II-VI semiconductors provides a promising approach for optimizing their light harvesting and charge separation for solar energy conversion applications.

Fine structural features of nanoscale zero-valent iron characterized by spherical aberration corrected scanning transmission electron microscopy (Cs-STEM).

PubMed

Liu, Airong; Zhang, Wei-xian

2014-09-21

An angstrom-resolution physical model of nanoscale zero-valent iron (nZVI) is generated with a combination of spherical aberration corrected scanning transmission electron microscopy (Cs-STEM), selected area electron diffraction (SAED), energy-dispersive X-ray spectroscopy (EDS) and electron energy-loss spectroscopy (EELS) on the Fe L-edge. Bright-field (BF), high-angle annular dark-field (HAADF) and secondary electron (SE) imaging of nZVI acquired by a Hitachi HD-2700 STEM show near atomic resolution images and detailed morphological and structural information of nZVI. The STEM-EDS technique confirms that the fresh nZVI comprises of a metallic iron core encapsulated with a thin layer of iron oxides or oxyhydroxides. SAED patterns of the Fe core suggest the polycrystalline structure in the metallic core and amorphous nature of the oxide layer. Furthermore, Fe L-edge of EELS shows varied structural features from the innermost Fe core to the outer oxide shell. A qualitative analysis of the Fe L(2,3) edge fine structures reveals that the shell of nZVI consists of a mixed Fe(II)/Fe(III) phase close to the Fe (0) interface and a predominantly Fe(III) at the outer surface of nZVI.

Structural and electronic properties of CdSe/ZnS and ZnS/CdSe core/shell nanowires via first principles study

NASA Astrophysics Data System (ADS)

Rehman, Shafiq Ur; Li, H. M.; Ding, Z. J.

2018-05-01

First principles calculations have been performed to predict the structural stability and electronic structures of hydrogen passivated wurtzite CdSe/ZnS and ZnS/CdSe core/shell nanowires (CSNWs) in the [0001] direction. The calculated binding energy shows that ZnS/CdSe CSNWs are more stable than CdSe/ZnS CSNWs and the stability of ZnS/CdSe CSNWs increases with increasing the thickness of ZnS shell. The modulated electronic band gap demonstrates an increase when the size of both CSNWs is reduced, as a result of the quantum confinement effect. The core-to-shell chemical composition of atoms shows that a strong composition effect also exists in these CSNWs, which in turn affects their electronic properties. Our simulated results show that the photoemission spectra of the CSNWs can be significantly improved by tuning the energy gap of CSNWs.

First-principles study of atomic and electronic structures of 60° perfect and 30°/90° partial glide dislocations in CdTe

DOE PAGES

Kweon, Kyoung E.; Aberg, Daniel; Lordi, Vincenzo

2016-05-16

The atomic and electronic structures of 60° glide perfect and 30°/90° glide partial dislocations in CdTe are studied using combined semi-empirical and density functional theory calculations. The calculations predict that the dislocation cores tend to undergo significant reconstructions along the dislocation lines from the singly-periodic (SP) structures, yielding either doubly-periodic (DP) ordering by forming a dimer or quadruply-periodic (QP) ordering by alternating a dimer and a missing dimer. Charge modulation along the dislocation line, accompanied by the QP reconstruction for the Cd-/Te-core 60° perfect and 30° partials or the DP reconstruction for the Cd-core 90° partial, results in semiconducting character,more » as opposed to the metallic character of the SP dislocation cores. Dislocation-induced defect states for the 60° Cd-/Te-core are located relatively close to the band edges, whereas the defect states lie in the middle of the band gap for the 30° Cd-/Te-core partial dislocations. In addition to the intracore charge modulation within each QP core, the possibility of intercore charge transfer between two different dislocation cores when they are paired together in the same system is discussed. As a result, the analysis of the electronic structures reveals the potential role of the dislocations on charge transport in CdTe, particularly in terms of charge trapping and recombination.« less

Direct heating of a laser-imploded core using ultraintense laser LFEX

NASA Astrophysics Data System (ADS)

Kitagawa, Y.; Mori, Y.; Ishii, K.; Hanayama, R.; Nishimura, Y.; Okihara, S.; Nakayama, S.; Sekine, T.; Takagi, M.; Watari, T.; Satoh, N.; Kawashima, T.; Komeda, O.; Hioki, T.; Motohiro, T.; Azuma, H.; Sunahara, A.; Sentoku, Y.; Arikawa, Y.; Abe, Y.; Miura, E.; Ozaki, T.

2017-07-01

A CD shell was preimploded by two counter-propagating green beams from the GEKKO laser system GXII (based at the Institute of Laser Engineering, Osaka University), forming a dense core. The core was predominantly heated by energetic ions driven by the laser for fast-ignition-fusion experiment, an extremely energetic ultrashort pulse laser, that is illuminated perpendicularly to the GXII axis. Consequently, we observed the D(d, n)3 He-reacted neutrons (DD beam-fusion neutrons) at a yield of 5× {{10}8} n/4π sr. The beam-fusion neutrons verified that the ions directly collided with the core plasma. Whereas the hot electrons heated the whole core volume, the energetic ions deposited their energies locally in the core. As evidenced in the spectrum, the process simultaneously excited thermal neutrons with a yield of 6× {{10}7} n/4π sr, raising the local core temperature from 0.8 to 1.8 keV. The shell-implosion dynamics (including the beam fusion and thermal fusion initiated by fast deuterons and carbon ions) can be explained by the one-dimensional hydrocode STAR 1D. Meanwhile, the core heating due to resistive processes driven by hot electrons, and also the generation of fast ions were well-predicted by the two-dimensional collisional particle-in-cell code. Together with hot electrons, the ion contribution to fast ignition is indispensable for realizing high-gain fusion. By virtue of its core heating and ignition, the proposed scheme can potentially achieve high-gain fusion.

First experimental demonstration of magnetic-field assisted fast heating of a dense plasma core

NASA Astrophysics Data System (ADS)

Fujioka, Shinsuke; Sakata, Shohei; Lee, Seung Ho; Matsuo, Kazuki; Sawada, Hiroshi; Iwasa, Yuki; Law, King Fai Farley; Morita, Hitoki; Kojima, Sadaoki; Abe, Yuki; Yao, Akira; Hata, Masayasu; Johzaki, Tomoyuki; Sunahara, Atsushi; Ozaki, Tetsuo; Sakagami, Hitoshi; Morace, Alessio; Arikawa, Yasunobu; Yogo, Akifumi; Nishimura, Hiroaki; Nakai, Mitsuo; Shiraga, Hiroyuki; Sentoku, Yasuhiko; Nagatomo, Hideo; Azechi, Hiroshi; Firex Project Team

2016-10-01

Fast heating of a dense plasma core by an energetic electron beam is being studied on GEKKO-LFEX laser facility. Here, we introduce a laser-driven kilo-tesla external magnetic field to guide the diverging electron beam to the dense plasma core. This involve placing a spherical target in the magnetic field, compressing it with the GEKKO-XII laser beams and then using the LFEX laser beams injected into the dense plasma to generate the electron beam which do the fast heating. Cu-Ka emission is used to visualize transport or heating processes of a dense plasma. X-ray spectrum from a highly ionized Cu ions indicates several keV of the temperature increment induced by the LFEX.

Space Environment Information System (SPENVIS)

NASA Astrophysics Data System (ADS)

Kruglanski, M.; Messios, N.; de Donder, E.; Gamby, E.; Calders, S.; Hetey, L.; Evans, H.

2009-04-01

SPENVIS is an ESA operational software developed and maintained at BIRA-IASB since 1996. It provides standardized access to most of the recent models of the hazardous space environment, through a user-friendly Web interface (http://www.spenvis.oma.be/). The system allows spacecraft engineers to perform a rapid analysis of environmental problems related to natural radiation belts, solar energetic particles, cosmic rays, plasmas, gases, magnetic fields and micro-particles. Various reporting and graphical utilities and extensive help facilities are included to allow engineers with relatively little familiarity to produce reliable results. SPENVIS also contains an active, integrated version of the ECSS Space Environment Standard and access to in-flight data on the space environment. Although SPENVIS in the first place is designed to help spacecraft engineers, it is also used by technical universities in their educational programs. At present more than 4000 users are registered. With SPENVIS, one can generate a spacecraft trajectory or a coordinate grid and then calculate: geomagnetic coordinates; trapped proton and electron fluxes; solar proton fluences; cosmic ray fluxes; radiation doses (ionising and non-ionising) for simple geometries; a sectoring analysis for dose calculations in more complex geometries; damage equivalent fluences for Si, GaAs and multi-junction solar cells; Geant4 Monte Carlo analysis for doses and pulse height rates in planar and spherical shields; ion LET and flux spectra and single event upset rates; trapped proton flux anisotropy; atmospheric and ionospheric densities and temperatures; atomic oxygen erosion depths; surface and internal charging characteristics; solar array current collections and power losses; wall damage. The new version of SPENVIS (to be released in January 2009) also allows mission analysis for Mars and Jupiter.

Statistical analysis of the correlation between the equatorial electrojet and the occurrence of the equatorial ionisation anomaly over the East African sector

NASA Astrophysics Data System (ADS)

Mungufeni, Patrick; Bosco Habarulema, John; Migoya-Orué, Yenca; Jurua, Edward

2018-06-01

This study presents statistical quantification of the correlation between the equatorial electrojet (EEJ) and the occurrence of the equatorial ionisation anomaly (EIA) over the East African sector. The data used were for quiet geomagnetic conditions (Kp ≤ 3) during the period 2011-2013. The horizontal components, H, of geomagnetic fields measured by magnetometers located at Addis Ababa, Ethiopia (dip lat. ˜ 1° N), and Adigrat, Ethiopia (dip lat. ˜ 6° N), were used to determine the EEJ using differential techniques. The total electron content (TEC) derived from Global Navigation Satellite System (GNSS) signals using 19 receivers located along the 30-40° longitude sector was used to determine the EIA strengths over the region. This was done by determining the ratio of TEC over the crest to that over the trough, denoted as the CT : TEC ratio. This technique necessitated characterisation of the morphology of the EIA over the region. We found that the trough lies slightly south of the magnetic equator (0-4° S). This slight southward shift of the EIA trough might be due to the fact that over the East African region, the general centre of the EEJ is also shifted slightly south of the magnetic equator. For the first time over the East African sector, we determined a threshold daytime EEJ strength of ˜ 40 nT that is mostly associated with prominent EIA occurrence during a high solar activity period. The study also revealed that there is a positive correlation between daytime EEJ and EIA strengths, with a strong positive correlation occurring during the period 13:00-15:00 LT.

Detection of fenspiride and identification of in vivo metabolites in horse body fluids by capillary gas chromatography-mass spectrometry: administration, biotransformation and urinary excretion after a single oral dose.

PubMed

Dumasia, M C; Houghton, E; Hyde, W; Greulich, D; Nelson, T; Peterson, Jackie

2002-02-05

Studies related to the in vivo biotransforrmation and urinary excretion of fenspiride hydrochloride in the horse are described. After oral administration, the drug is metabolised by both phase I functionalisation and phase II conjugation pathways. Following enzymatic deconjugation, fenspiride and its phase I metabolites were isolated from post-administration biofluids using bonded co-polymeric mixed mode solid-phase extraction cartridges to isolate the basic compounds. Following trimethylsilylation (TMS), the parent drug and metabolites were identified by capillary gas chromatography-mass spectrometry (GC-MS). Fenspiride (A) and seven metabolites (B-->G) arising from oxidation on both the aromatic and heterocyclic substructures were detected in urine. The positive ion electron ionisation mass spectra of the TMS derivatives of fenspiride and its metabolites provided useful information on its metabolism. Positive ion methane chemical ionisation-GC-MS of the derivatives provided both derivatised molecular mass and structural information. Unchanged fenspiride can be detected in post-administration plasma and urine samples for up to 24 h. Maximum urinary levels of 100-200 ng ml(-1) were observed between 3 and 5 h after administration. After enzymatic deconjugation, the major phenolic metabolite (G) can be detected in urine for up to 72 h. This metabolite is the analyte of choice in the GC-MS screening of post-race equine urine samples for detection of fenspiride use. However, a distinct difference was observed in the urinary excretion of this metabolite between the thoroughbred horses used in UK study and the quarterbred and standardbred horses used for the USA administrations.

Simulating Negative Pickup Ions and Ion Cyclotron Wave Generation at Europa (Invited)

NASA Astrophysics Data System (ADS)

Desai, R. T.; Cowee, M.; Gary, S. P.; Wei, H.; Coates, A. J.; Kataria, D. O.; Fu, X.

2015-12-01

The mass loading of space environments through the ionisation of planetary atmospheres is a fundamental process governing the plasma interactions and long term evolution of celestial bodies across the solar system. Regions containing significant pickup ion populations have been observed to exhibit a rich variety of electromagnetic plasma wave phenomena, the characteristics and properties of which can be used to infer the ion species present, their spatial and temporal distributions, and the global ionisation rates of the neutral material. In this study we present hybrid (kinetic ion, massless fluid electron) simulations of ion pickup and Ion Cyclotron (IC) waves observed in the Jovian magnetosphere and draw comparisons to sub-alfvénic pickup observed by Cassini in the Saturnian system, and also to supra-alfvénic pickup at planetary bodies immersed directly in the solar wind. At Jupiter, Europa has been identified as the secondary mass loader in the magnetosphere, orbiting within a neutral gas torus at ~9.38 Rj. Near Europa, Galileo magnetometer observations displayed bursty IC wave characteristics at the gyrofrequency of a number of species including SO2, K, Cl, O2, and Na, suggesting a complex mass loading environment. A particular deduction from the dataset was the presence of both positively and negatively charged pickup ions, inferred from the left and right hand polarisations of the transverse waves. Using hybrid simulations for both positively and negatively charged Cl pickup ions we are able to self-consistently reproduce the growth of both right and left hand near-circularly polarised waves in agreement with linear theory and, using the observed wave amplitudes, estimate Cl pickup ion densities at Europa.

3D modelling of HCO+ and its isotopologues in the low-mass proto-star IRAS16293-2422

NASA Astrophysics Data System (ADS)

Quénard, D.; Bottinelli, S.; Caux, E.; Wakelam, V.

2018-04-01

Ions and electrons play an important role in various stages of the star formation process. By following the magnetic field of their environment and interacting with neutral species, they slow down the gravitational collapse of the proto-star envelope. This process (known as ambipolar diffusion) depends on the ionisation degree, which can be derived from the HCO+abundance. We present a study of HCO+and its isotopologues (H13CO+, HC18O+, DCO+, and D13CO+) in the low-mass proto-star IRAS16293-2422. The structure of this object is complex, and the HCO+emission arises from the contribution of a young NW-SE outflow, the proto-stellar envelope and the foreground cloud. We aim at constraining the physical parameters of these structures using all the observed transitions. For the young NW-SE outflow, we derive Tkin = 180 - 220 K and n(H2) = (4 - 7) × 106 cm-3 with an HCO+abundance of (3 - 5) × 10-9. Following previous studies, we demonstrate that the presence of a cold (Tkin≤30 K) and low density (n(H2) ≤ 1 × 104 cm-3) foreground cloud is also necessary to reproduce the observed line profiles. We have used the gas-grain chemical code NAUTILUS to derive the HCO+abundance profile across the envelope and the external regions where X(HCO+)≳ 1 × 10-9 dominate the envelope emission. From this, we derive an ionisation degree of 10-8.9 ≲ x(e) ≲ 10-7.9. The ambipolar diffusion timescale is ˜5 times the free-fall timescale, indicating that the magnetic field starts to support the source against gravitational collapse and the magnetic field strength is estimated to be 6 - 46 μG.

Surface-Active Agents for Isolation of the Core Component of Avian Myeloblastosis Virus 1

PubMed Central

Stromberg, Kurt

1972-01-01

Sixty-one surface-active agents were evaluated in a procedure designed to assess their ability to remove the envelope from the core component of avian myeloblastosis virus (AMV). The procedure consisted of centrifugation of intact AMV through a series of sucrose gradients each containing an upper layer of agent at one of eight concentrations between 0.01 and 10%. The effectiveness of an agent in producing AMV cores was indicated by (i) the appearance of light-scattering bands in the region of core buoyant density in gradient tubes; (ii) the range of surfactant concentration over which these bands appeared; and (iii) an electron microscopy assessment by the negative-staining technique of the relative proportion of core to non-core material in each of these bands. Six nonionic surfactants were selected by this screening method for comparison in regard to recovery of core protein and endogenous ribonucleic acid (RNA)-dependent deoxyribonucleic acid (DNA) polymerase activity, as well as further morphologic evaluation by electron microscopy. The nonionic surfactants of the polyoxyethylene alcohol class (particularly, Sterox SL) were most effective. Nonionic surfactants of the polyoxyethylene alkylphenol class (particularly, Nonidet P-40) were also effective. Sterox SL and Nonidet P-40 each gave a more than fivefold increase in specific activity of endogenous RNA-dependent DNA polymerase, and each gave a low recovery of core protein. Sterox SL did not interfere to the extent that Nonidet P-40 did in procedures which involved spectrophotometric assay at 260 nm. The use of Sterox SL resulted in the least envelope contamination of core preparations by electron microscopy examination, the most recovery of protein and endogenous RNA-dependent DNA polymerase activity, and a core buoyant density in sucrose of 1.27 g/ml. Images PMID:4112071

The solar ionisation rate deduced from Ulysses measurements and its implications to interplanetary Lyman alpha-intensity

NASA Technical Reports Server (NTRS)

Summanen, T.; Kyroelae, E.

1995-01-01

We have developed a computer code which can be used to study 3-dimensional and time-dependent effects of the solar cycle on the interplanetary (IP) hydrogen distribution. The code is based on the inverted Monte Carlo simulation. In this work we have modelled the temporal behaviour of the solar ionisation rate. We have assumed that during the most of the time of the solar cycle there is an anisotopic latitudinal structure but right at the solar maximum the anisotropy disappears. The effects of this behaviour will be discussed both in regard to the IP hydrogen distribution and IP Lyman a a-intensity.

Forensic applications of desorption electrospray ionisation mass spectrometry (DESI-MS).

PubMed

Morelato, Marie; Beavis, Alison; Kirkbride, Paul; Roux, Claude

2013-03-10

Desorption electrospray ionisation mass spectrometry (DESI-MS) is an emerging analytical technique that enables in situ mass spectrometric analysis of specimens under ambient conditions. It has been successfully applied to a large range of forensically relevant materials. This review assesses and highlights forensic applications of DESI-MS including the analysis and detection of illicit drugs, explosives, chemical warfare agents, inks and documents, fingermarks, gunshot residues and drugs of abuse in urine and plasma specimens. The minimal specimen preparation required for analysis and the sensitivity of detection achieved offer great advantages, especially in the field of forensic science. Crown Copyright © 2013. Published by Elsevier Ireland Ltd. All rights reserved.

Characterisation of the muon beams for the Muon Ionisation Cooling Experiment

DOE PAGES

Adams, D.; Adey, D.; Alekou, A.; ...

2013-10-01

A novel single-particle technique to measure emittance has been developed and used to characterise seventeen different muon beams for the Muon Ionisation Cooling Experiment (MICE). The muon beams, whose mean momenta vary from 171 to 281 MeV/c, have emittances of approximately 1.2-2.3 π mm-rad horizontally and 0.6-1.0 π mm-rad vertically, a horizontal dispersion of 90-190 mm and momentum spreads of about 25 MeV/c. There is reasonable agreement between the measured parameters of the beams and the results of simulations. The beams are found to meet the requirements of MICE.

Non-volatile analysis in fruits by laser resonant ionization spectrometry: application to resveratrol (3,5,4'-trihydroxystilbene) in grapes

NASA Astrophysics Data System (ADS)

Montero, C.; Orea, J. M.; Soledad Muñoz, M.; Lobo, R. F. M.; González Ureña, A.

A laser desorption (LD) coupled with resonance-enhanced multiphoton ionisation (REMPI) and time-of-flight mass spectrometry (TOFMS) technique for non-volatile trace analysis compounds is presented. Essential features are: (a) an enhanced desorption yield due to the mixing of metal powder with the analyte in the sample preparation, (b) a high resolution, great sensitivity and low detection limit due to laser resonant ionisation and mass spectrometry detection. Application to resveratrol content in grapes demonstrated the capability of the analytical method with a sensitivity of 0.2 pg per single laser shot and a detection limit of 5 ppb.

Physical structure and dust reprocessing in a sample of HH jets

NASA Astrophysics Data System (ADS)

Podio, L.; Medves, S.; Bacciotti, F.; Eislöffel, J.; Ray, T.

2009-11-01

Context: Stellar jets are an essential ingredient of the star formation process and a wealth of information can be derived from their characteristic emission-line spectra. Aims: We investigate the physical structure and dust reprocessing in the shocks along the beam of a number of classical Herbig-Haro (HH) jets in the Orion and Lupus molecular clouds (HH 111, HH 1/2, HH 83, HH 24 M/A/E/C, and Sz68). Parameters describing plasma conditions, as well as dust content, are derived as a function of distance from the source and, for HH 111, of gas velocity. Methods: Spectral diagnostic techniques are applied to obtain the jet physical conditions (the electron and total density, ne and n_H, the ionisation fraction, x_e, and the temperature, T_e) from the ratios of selected forbidden lines. The presence of dust grains is investigated by estimating the gas-phase abundance of calcium with respect to its solar value. Results: We find the electron density varies between 0.05-4×103 cm-3, the ionisation fraction xe from 0.01-0.7, the temperature ranges between 0.6-3×104 K, and the hydrogen density between 0.01-6×104 cm-3. Interestingly, in the HH 111 jet, n_e, x_e, and Te peak in the high velocity interval (HVI) of the strongest working surfaces, confirming a prediction from shocks models. Calcium turns out to be depleted with respect to its solar value, but its gas-phase abundance is higher than estimates for the interstellar medium in Orion. The depletion is high (up to 80%) along the low-excited jets, while low or no depletion is measured in those jets which show higher excitation conditions. Moreover, for HH 111 the depletion is lower in the HVI of the fastest shock. Conclusions: Our results confirm the shock structure predicted by models and indicate that shocks occurring along jets, and presumably those present in the launch zone, only partially destroy dust grains and that the efficiency of dust reprocessing strongly depends on shock velocity. However, the high Ca gas-phase abundance estimated in some of the knots, is not well understood in terms of existing models of dust reprocessing in shocks, and indicates that the dust must have been partially reprocessed in the region where the flow originates. Based on observations collected at the European Southern Observatory, La Silla, Chile (ESO programmes 60.C-0398(A). Appendix A is only available in electronic form at http://www.aanda.org

Bonding quandary in the [Cu3S2]3+ core: insights from the analysis of domain averaged fermi holes and the local spin.

PubMed

Ponec, Robert; Ramos-Cordoba, Eloy; Salvador, Pedro

2013-03-07

The electronic structure of the trinuclear symmetric complex [(tmedaCu)3S2 ](3+), whose Cu3S2 core represents a model of the active site of metalloenzymes involved in biological processes, has been in recent years the subject of vigorous debate. The complex exists as an open-shell triplet, and discussions concerned the question whether there is a direct S-S bond in the [Cu3S2](3+) core, whose answer is closely related to the problem of the formal oxidation state of Cu atoms. In order to contribute to the elucidation of the serious differences in the conclusions of earlier studies, we report in this study the detailed comprehensive analysis of the electronic structure of the [Cu3S2](3+) core using the methodologies that are specifically designed to address three particular aspects of the bonding in the core of the above complex, namely, the presence and/or absence of direct S-S bond, the existence and the nature of spin-spin interactions among the atoms in the core, and the formal oxidation state of Cu atoms in the core. Using such a combined approach, it was possible to conclude that the picture of bonding consistently indicates the existence of a weak direct two-center-three-electron (2c-3e) S-S bond, but at the same time, the observed lack of any significant local spin in the core of the complex is at odds with the suggested existence of antiferromagnetic coupling among the Cu and S atoms, so that the peculiarities of the bonding in the complex seem to be due to extensive delocalization of the unpaired spin in the [Cu3S2](3+) core. Finally, a scrutiny of the effective atomic hybrids and their occupations points to a predominant formal Cu(II) oxidation state, with a weak contribution of partial Cu(I) character induced mainly by the partial flow of electrons from S to Cu atoms and high delocalization of the unpaired spin in the [Cu3S2](3+) core.

Application of the weighted-density approximation to the accurate description of electron-positron correlation effects in materials

NASA Astrophysics Data System (ADS)

Callewaert, Vincent; Saniz, Rolando; Barbiellini, Bernardo; Bansil, Arun; Partoens, Bart

2017-08-01

We discuss positron-annihilation lifetimes for a set of illustrative bulk materials within the framework of the weighted-density approximation (WDA). The WDA can correctly describe electron-positron correlations in strongly inhomogeneous systems, such as surfaces, where the applicability of (semi-)local approximations is limited. We analyze the WDA in detail and show that the electrons which cannot screen external charges efficiently, such as the core electrons, cannot be treated accurately via the pair correlation of the homogeneous electron gas. We discuss how this problem can be addressed by reducing the screening in the homogeneous electron gas by adding terms depending on the gradient of the electron density. Further improvements are obtained when core electrons are treated within the LDA and the valence electron using the WDA. Finally, we discuss a semiempirical WDA-based approach in which a sum rule is imposed to reproduce the experimental lifetimes.

Comparing the statistics of interstellar turbulence in simulations and observations. Solenoidal versus compressive turbulence forcing

NASA Astrophysics Data System (ADS)

Federrath, C.; Roman-Duval, J.; Klessen, R. S.; Schmidt, W.; Mac Low, M.-M.

2010-03-01

Context. Density and velocity fluctuations on virtually all scales observed with modern telescopes show that molecular clouds (MCs) are turbulent. The forcing and structural characteristics of this turbulence are, however, still poorly understood. Aims: To shed light on this subject, we study two limiting cases of turbulence forcing in numerical experiments: solenoidal (divergence-free) forcing and compressive (curl-free) forcing, and compare our results to observations. Methods: We solve the equations of hydrodynamics on grids with up to 10243 cells for purely solenoidal and purely compressive forcing. Eleven lower-resolution models with different forcing mixtures are also analysed. Results: Using Fourier spectra and Δ-variance, we find velocity dispersion-size relations consistent with observations and independent numerical simulations, irrespective of the type of forcing. However, compressive forcing yields stronger compression at the same rms Mach number than solenoidal forcing, resulting in a three times larger standard deviation of volumetric and column density probability distributions (PDFs). We compare our results to different characterisations of several observed regions, and find evidence of different forcing functions. Column density PDFs in the Perseus MC suggest the presence of a mainly compressive forcing agent within a shell, driven by a massive star. Although the PDFs are close to log-normal, they have non-Gaussian skewness and kurtosis caused by intermittency. Centroid velocity increments measured in the Polaris Flare on intermediate scales agree with solenoidal forcing on that scale. However, Δ-variance analysis of the column density in the Polaris Flare suggests that turbulence is driven on large scales, with a significant compressive component on the forcing scale. This indicates that, although likely driven with mostly compressive modes on large scales, turbulence can behave like solenoidal turbulence on smaller scales. Principal component analysis of G216-2.5 and most of the Rosette MC agree with solenoidal forcing, but the interior of an ionised shell within the Rosette MC displays clear signatures of compressive forcing. Conclusions: The strong dependence of the density PDF on the type of forcing must be taken into account in any theory using the PDF to predict properties of star formation. We supply a quantitative description of this dependence. We find that different observed regions show evidence of different mixtures of compressive and solenoidal forcing, with more compressive forcing occurring primarily in swept-up shells. Finally, we emphasise the role of the sonic scale for protostellar core formation, because core formation close to the sonic scale would naturally explain the observed subsonic velocity dispersions of protostellar cores. A movie is only available in electronic form at http://www.aanda.org

Highly Stretchable and Transparent Supercapacitor by Ag-Au Core-Shell Nanowire Network with High Electrochemical Stability.

PubMed

Lee, Habeom; Hong, Sukjoon; Lee, Jinhwan; Suh, Young Duk; Kwon, Jinhyeong; Moon, Hyunjin; Kim, Hyeonseok; Yeo, Junyeob; Ko, Seung Hwan

2016-06-22

Stretchable and transparent electronics have steadily attracted huge attention in wearable devices. Although Ag nanowire is the one of the most promising candidates for transparent and stretchable electronics, its electrochemical instability has forbidden its application to the development of electrochemical energy devices such as supercapacitors. Here, we introduce a highly stretchable and transparent supercapacitor based on electrochemically stable Ag-Au core-shell nanowire percolation network electrode. We developed a simple solution process to synthesize the Ag-Au core-shell nanowire with excellent electrical conductivity as well as greatly enhanced chemical and electrochemical stabilities compared to pristine Ag nanowire. The proposed core-shell nanowire-based supercapacitor still possesses fine optical transmittance and outstanding mechanical stability up to 60% strain. The Ag-Au core-shell nanowire can be a strong candidate for future wearable electrochemical energy devices.

Integrated simulation of magnetic-field-assist fast ignition laser fusion

NASA Astrophysics Data System (ADS)

Johzaki, T.; Nagatomo, H.; Sunahara, A.; Sentoku, Y.; Sakagami, H.; Hata, M.; Taguchi, T.; Mima, K.; Kai, Y.; Ajimi, D.; Isoda, T.; Endo, T.; Yogo, A.; Arikawa, Y.; Fujioka, S.; Shiraga, H.; Azechi, H.

2017-01-01

To enhance the core heating efficiency in fast ignition laser fusion, the concept of relativistic electron beam guiding by external magnetic fields was evaluated by integrated simulations for FIREX class targets. For the cone-attached shell target case, the core heating performance deteriorates by applying magnetic fields since the core is considerably deformed and most of the fast electrons are reflected due to the magnetic mirror formed through the implosion. On the other hand, in the case of a cone-attached solid ball target, the implosion is more stable under the kilo-tesla-class magnetic field. In addition, feasible magnetic field configuration is formed through the implosion. As a result, the core heating efficiency doubles by magnetic guiding. The dependence of core heating properties on the heating pulse shot timing was also investigated for the solid ball target.

Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation.

PubMed

Minenkov, Yury; Bistoni, Giovanni; Riplinger, Christoph; Auer, Alexander A; Neese, Frank; Cavallo, Luigi

2017-04-05

In this work, we tested canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) for a set of 32 ligand exchange and association/dissociation reaction enthalpies involving ionic complexes of Li, Be, Na, Mg, Ca, Sr, Ba and Pb(ii). Two strategies were investigated: in the former, only valence electrons were included in the correlation treatment, giving rise to the computationally very efficient FC (frozen core) approach; in the latter, all non-ECP electrons were included in the correlation treatment, giving rise to the AE (all electron) approach. Apart from reactions involving Li and Be, the FC approach resulted in non-homogeneous performance. The FC approach leads to very small errors (<2 kcal mol -1 ) for some reactions of Na, Mg, Ca, Sr, Ba and Pb, while for a few reactions of Ca and Ba deviations up to 40 kcal mol -1 have been obtained. Large errors are both due to artificial mixing of the core (sub-valence) orbitals of metals and the valence orbitals of oxygen and halogens in the molecular orbitals treated as core, and due to neglecting core-core and core-valence correlation effects. These large errors are reduced to a few kcal mol -1 if the AE approach is used or the sub-valence orbitals of metals are included in the correlation treatment. On the technical side, the CCSD(T) and DLPNO-CCSD(T) results differ by a fraction of kcal mol -1 , indicating the latter method as the perfect choice when the CPU efficiency is essential. For completely black-box applications, as requested in catalysis or thermochemical calculations, we recommend the DLPNO-CCSD(T) method with all electrons that are not covered by effective core potentials included in the correlation treatment and correlation-consistent polarized core valence basis sets of cc-pwCVQZ(-PP) quality.

Erratum: Simple Seismic Tests of the Solar Core

NASA Astrophysics Data System (ADS)

Kennedy, Dallas C.

2000-12-01

In the article ``Simple Seismic Tests of the Solar Core'' by Dallas C. Kennedy (ApJ, 540, 1109 [2000]), Figures 1, 2, and 3 in the print edition of the Journal were unreadable because of problems with the electronic file format. The figures in the electronic edition were unaffected. The figures should have appeared as below. The Press sincerely regrets this error.

Improved cross-calibration of Thomson scattering and electron cyclotron emission with ECH on DIII-D.

PubMed

Brookman, M W; Austin, M E; McLean, A G; Carlstrom, T N; Hyatt, A W; Lohr, J

2016-11-01

Thomson scattering produces n e profiles from measurement of scattered laser beam intensity. Rayleigh scattering provides a first calibration of the relation n e ∝ I TS , which depends on many factors (e.g., laser alignment and power, optics, and measurement systems). On DIII-D, the n e calibration is adjusted against an absolute n e from the density-driven cutoff of the 48 channel 2nd harmonic X-mode electron cyclotron emission system. This method has been used to calibrate Thomson n e from the edge to near the core (r/a > 0.15). Application of core electron cyclotron heating improves the quality of cutoff and depth of its penetration into the core, and also changes underlying MHD activity, minimizing crashes which confound calibration. Less fueling is needed as "ECH pump-out" generates a plasma ready to take up gas. On removal of gyrotron power, cutoff penetrates into the core as channels fall successively and smoothly into cutoff.

The effects of staggered bandgap in the InP/CdSe and CdSe/InP core/shell quantum dots.

PubMed

Kim, Sunghoon; Park, Jaehyun; Kim, Sungwoo; Jung, Won; Sung, Jaeyoung; Kim, Sang-Wook

2010-06-15

New type-II structures of CdSe/InP and InP/CdSe core-shell nanocrystals which have staggered bandgap alignment were fabricated. Using a simple model for the wave function for electrons and holes in InP/CdSe and CdSe/InP core/shell nanocrystals showed the wave function of the electron and hole spread into the shell, respectively. The probability density of the InP/CdSe and CdSe/InP core/shell QDs also showed a similar tendency. As a result, the structure exhibits increased delocalization of electrons and holes, leading to a red-shift in absorption and emission. Quantum yield increased in the InP/CdSe, however decreased in the CdSe/InP. The reason may be due to the surface trap and high activation barrier for de-trapping in the InP shell. 2010 Elsevier Inc. All rights reserved.

Understanding luminescence properties of grain boundaries in GaN thin films and their atomistic origin

NASA Astrophysics Data System (ADS)

Yoo, Hyobin; Yoon, Sangmoon; Chung, Kunook; Kang, Seoung-Hun; Kwon, Young-Kyun; Yi, Gyu-Chul; Kim, Miyoung

2018-03-01

We report our findings on the optical properties of grain boundaries in GaN films grown on graphene layers and discuss their atomistic origin. We combine electron backscatter diffraction with cathodoluminescence to directly correlate the structural defects with their optical properties, enabling the high-precision local luminescence measurement of the grain boundaries in GaN films. To further understand the atomistic origin of the luminescence properties, we carefully probed atomic core structures of the grain boundaries by exploiting aberration-corrected scanning transmission electron microscopy. The atomic core structures of grain boundaries show different ordering behaviors compared with those observed previously in threading dislocations. Energetics of the grain boundary core structures and their correlation with electronic structures were studied by first principles calculation.

Double layer-like structures in the core of an argon helicon plasma source with uniform magnetic fields

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

Umair Siddiqui, M., E-mail: musiddiqui@wisc.edu; Hershkowitz, Noah

2014-02-15

A hot (T{sub e} ≈ 10 eV) electron population is observed in the core of a 3 mTorr argon helicon plasma source at 500 W RF power and 900 G uniform axial magnetic field strength, 12 cm from the edge of the helicon antenna. A double layer-like structure consisting of a localized axial electric field of approximately 8 V/cm over 1–2 cm is observed adjacent to the hot electron population. The potential step generated by the electric field is shown to be large enough to trap the hot electrons. To our knowledge this is the first observation of these structures in the core of amore » helicon discharge.« less

Diffraction data of core-shell nanoparticles from an X-ray free electron laser

DOE PAGES

Li, Xuanxuan; Chiu, Chun -Ya; Wang, Hsiang -Ju; ...

2017-04-11

X-ray free-electron lasers provide novel opportunities to conduct single particle analysis on nanoscale particles. Coherent diffractive imaging experiments were performed at the Linac Coherent Light Source (LCLS), SLAC National Laboratory, exposing single inorganic core-shell nanoparticles to femtosecond hard-X-ray pulses. Each facetted nanoparticle consisted of a crystalline gold core and a differently shaped palladium shell. Scattered intensities were observed up to about 7 nm resolution. Analysis of the scattering patterns revealed the size distribution of the samples, which is consistent with that obtained from direct real-space imaging by electron microscopy. Furthermore, scattering patterns resulting from single particles were selected and compiledmore » into a dataset which can be valuable for algorithm developments in single particle scattering research.« less

Study of positron annihilation with core electrons at the clean and oxygen covered Ag(001) surface

NASA Astrophysics Data System (ADS)

Joglekar, P.; Shastry, K.; Olenga, A.; Fazleev, N. G.; Weiss, A. H.

2013-03-01

In this paper we present measurements of the energy spectrum of electrons emitted as a result of Positron Annihilation Induce Auger Electron Emission from a clean and oxygen covered Ag (100) surface using a series of incident beam energies ranging from 20 eV down to 2 eV. A peak was observed at ~ 40 eV corresponding to the N23VV Auger transition in agreement with previous PAES studies. Experimental results were investigated theoretically by calculations of positron states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the clean and oxygen covered Ag(100) surface. An ab-initio investigation of stability and associated electronic properties of different adsorption phases of oxygen on Ag(100) has been performed on the basis of density functional theory and using DMOl3 code. The computed positron binding energy, positron surface state wave function, and positron annihilation probabilities of surface trapped positrons with relevant core electrons demonstrate their sensitivity to oxygen coverage, elemental content, atomic structure of the topmost layers of surfaces, and charge transfer effects. Theoretical results are compared with experimental data. This work was supported in part by the National Science Foundation Grant # DMR-0907679.

Demonstration of Confined Electron Gas and Steep-Slope Behavior in Delta-Doped GaAs-AlGaAs Core-Shell Nanowire Transistors.

PubMed

Morkötter, S; Jeon, N; Rudolph, D; Loitsch, B; Spirkoska, D; Hoffmann, E; Döblinger, M; Matich, S; Finley, J J; Lauhon, L J; Abstreiter, G; Koblmüller, G

2015-05-13

Strong surface and impurity scattering in III-V semiconductor-based nanowires (NW) degrade the performance of electronic devices, requiring refined concepts for controlling charge carrier conductivity. Here, we demonstrate remote Si delta (δ)-doping of radial GaAs-AlGaAs core-shell NWs that unambiguously exhibit a strongly confined electron gas with enhanced low-temperature field-effect mobilities up to 5 × 10(3) cm(2) V(-1) s(-1). The spatial separation between the high-mobility free electron gas at the NW core-shell interface and the Si dopants in the shell is directly verified by atom probe tomographic (APT) analysis, band-profile calculations, and transport characterization in advanced field-effect transistor (FET) geometries, demonstrating powerful control over the free electron gas density and conductivity. Multigated NW-FETs allow us to spatially resolve channel width- and crystal phase-dependent variations in electron gas density and mobility along single NW-FETs. Notably, dc output and transfer characteristics of these n-type depletion mode NW-FETs reveal excellent drain current saturation and record low subthreshold slopes of 70 mV/dec at on/off ratios >10(4)-10(5) at room temperature.

How Does Amino Acid Ligand Modulate Au Core Structure and Characteristics in Peptide Coated Au Nanocluster?

PubMed

Li, Nan; Li, Xu; Zhao, Hongkang; Zhao, Lina

2018-03-01

The atomic structures and the corresponding physicochemical properties of peptide coated Au nanoclusters determine their distinctive biological targeting applications. To learn the modulation of amino acid ligand on the atomic structure and electronic characteristics of coated Au core is the fundamental knowledge for peptide coated Au nanocluster design and construction. Based on our recent coated Au nanocluster configuration study (Nanoscale, 2016, 8, 11454), we built the typically simplified Au13(Cys-Au-Cys) system to more clearly learn the basic modulation information of amino acid ligand on Au core by the density functional theory (DFT) calculations. There are two isomers as ligand adjacent bonding (Iso1) and diagonal bonding (Iso2) to Au13 cores. The geometry optimizations indicate the adjacent bonding Iso1 is more stable than Iso2. More important, the Au13 core of Iso1 distorts much more significantly than that of Iso2 by Cys-Au-Cys bonding through the root-mean-square deviation (RMSD) analysis, which modulate their electronic characteristics in different ways. In addition, the frontier molecular orbital results of Au13(Cys-Au-Cys) isomers confirm that the Au cores mainly determine the blue shifts of Au13(Cys-Au-Cys) systems versus the original Au13 core in their UV-visible absorption spectrum studies. The configuration of Au13 core performs deformation under Cys-Au-Cys ligand modulation to reach new stability with distinct atomic structure and electronic properties, which could be the theory basis for peptide coated AuNCs design and construction.

Stair-rod dislocation cores acting as one-dimensional charge channels in GaAs nanowires

NASA Astrophysics Data System (ADS)

Bologna, Nicolas; Agrawal, Piyush; Campanini, Marco; Knödler, Moritz; Rossell, Marta D.; Erni, Rolf; Passerone, Daniele

2018-01-01

Aberration-corrected scanning transmission electron microscopy and density-functional theory calculations have been used to investigate the atomic and electronic structure of stair-rod dislocations connected via stacking faults in GaAs nanowires. At the apexes, two distinct dislocation cores consisting of single-column pairs of either gallium or arsenic were identified. Ab initio calculations reveal an overall reduction in the energy gap with the development of two bands of filled and empty localized states at the edges of valence and conduction bands in the Ga core and in the As core, respectively. Our results suggest the behavior of stair-rod dislocations along the nanowire as one-dimensional charge channels, which could host free carriers upon appropriate doping.

Evaluating experimental molecular physics studies of radiation damage in DNA*

NASA Astrophysics Data System (ADS)

Śmiałek, Małgorzata A.

2016-11-01

The field of Atomic and Molecular Physics (AMP) is a mature field exploring the spectroscopy, excitation, ionisation of atoms and molecules in all three phases. Understanding of the spectroscopy and collisional dynamics of AMP has been fundamental to the development and application of quantum mechanics and is applied across a broad range of disparate disciplines including atmospheric sciences, astrochemistry, combustion and environmental science, and in central to core technologies such as semiconductor fabrications, nanotechnology and plasma processing. In recent years the molecular physics also started significantly contributing to the area of the radiation damage at molecular level and thus cancer therapy improvement through both experimental and theoretical advances, developing new damage measurement and analysis techniques. It is therefore worth to summarise and highlight the most prominent findings from the AMP community that contribute towards better understanding of the fundamental processes in biologically-relevant systems as well as to comment on the experimental challenges that were met for more complex investigation targets. Contribution to the Topical Issue "Low-Energy Interactions related to Atmospheric and Extreme Conditions", edited by S. Ptasinska, M. Smialek-Telega, A. Milosavljevic, B. Sivaraman.

Theoretical and experimental study of electron-deficient core substitution effect of diketopyrrolopyrrole derivatives on optoelectrical and charge transport properties

NASA Astrophysics Data System (ADS)

Ding, Guodong; Mahmood, Asif; Tang, Ailing; Chen, Fan; Zhou, Erjun

2018-01-01

Three new diketopyrrolopyrrole based compounds with Acceptor-Donor-Acceptor-Donor-Acceptor (A-D-A-D-A) skeletons were designed and synthesized through varying the electron-deficient core from diphenylquinoxaline (DP-Qx), thieno[3,4-c]pyrrole-4,6-dione (DP-TPD) to 2-dodecyl-6,7-diphenyl-2H-[1,2,3]triazole[4,5-g]quinoxaline (DP-TQx). We have calculated and studied the effect of central acceptor units on electronic, optical and non-optical properties. As well as, we have predicted the charge transport properties. Results indicate that change of central acceptor unit remarkably affects the molecular electronic, optical and non-optical properties. And the molecular band gap and UV/vis adsorption spectra are significantly changed. It should be noted that Compound 3 with 2-dodecyl-6,7-diphenyl-2H-[1,2,3]triazole[4,5-g]quinoxaline as core show superior non-optical properties as compare to other compounds. Our study here indicate that inserting the strong electron-deficient moieties improves intramolecular charge transfer (ICT) and charge transport properties dramatically.

Electronic properties of core-shell nanowire resonant tunneling diodes

PubMed Central

2014-01-01

The electronic sub-band structure of InAs/InP/InAs/InP/InAs core-shell nanowire resonant tunneling diodes has been investigated in the effective mass approximation by varying the core radius and the thickness of the InP barriers and InAs shells. A top-hat, double-barrier potential profile and optimal energy configuration are obtained for core radii and surface shells >10 nm, InAs middle shells <10 nm, and 5 nm InP barriers. In this case, two sub-bands exist above the Fermi level in the InAs middle shell which belongs to the m = 0 and m = 1 ladder of states that have similar wave functions and energies. On the other hand, the lowest m = 0 sub-band in the core falls below the Fermi level but the m = 1 states do not contribute to the current transport since they reside energetically well above the Fermi level. We compare the case of GaAs/AlGaAs/GaAs/AlGaAs/GaAs which may conduct current with smaller applied voltages due to the larger effective mass of electrons in GaAs and discuss the need for doping. PMID:25288912

Zigzag‐Elongated Fused π‐Electronic Core: A Molecular Design Strategy to Maximize Charge‐Carrier Mobility

PubMed Central

Yamamoto, Akito; Murata, Yoshinori; Mitsui, Chikahiko; Yamagishi, Masakazu; Yano, Masafumi; Sato, Hiroyasu; Yamano, Akihito; Takeya, Jun

2017-01-01

Abstract Printed and flexible electronics requires solution‐processable organic semiconductors with a carrier mobility (μ) of ≈10 cm2 V−1 s−1 as well as high chemical and thermal durability. In this study, chryseno[2,1‐b:8,7‐b′]dithiophene (ChDT) and its derivatives, which have a zigzag‐elongated fused π‐electronic core (π‐core) and a peculiar highest occupied molecular orbital (HOMO) configuration, are reported as materials with conceptually new semiconducting π‐cores. ChDT and its derivatives are prepared by a versatile synthetic procedure. A comprehensive investigation reveals that the ChDT π‐core exhibits increasing structural stability in the bulk crystal phase, and that it is unaffected by a variation of the transfer integral, induced by the perpetual molecular motion of organic materials owing to the combination of its molecular shape and its particular HOMO configuration. Notably, ChDT derivatives exhibit excellent chemical and thermal stability, high charge‐carrier mobility under ambient conditions (μ ≤ 10 cm2 V−1 s−1), and a crystal phase that is highly stable, even at temperatures above 250 °C. PMID:29375963

Electronic properties of core-shell nanowire resonant tunneling diodes.

PubMed

Zervos, Matthew

2014-01-01

The electronic sub-band structure of InAs/InP/InAs/InP/InAs core-shell nanowire resonant tunneling diodes has been investigated in the effective mass approximation by varying the core radius and the thickness of the InP barriers and InAs shells. A top-hat, double-barrier potential profile and optimal energy configuration are obtained for core radii and surface shells >10 nm, InAs middle shells <10 nm, and 5 nm InP barriers. In this case, two sub-bands exist above the Fermi level in the InAs middle shell which belongs to the m = 0 and m = 1 ladder of states that have similar wave functions and energies. On the other hand, the lowest m = 0 sub-band in the core falls below the Fermi level but the m = 1 states do not contribute to the current transport since they reside energetically well above the Fermi level. We compare the case of GaAs/AlGaAs/GaAs/AlGaAs/GaAs which may conduct current with smaller applied voltages due to the larger effective mass of electrons in GaAs and discuss the need for doping.

Role of density gradient driven trapped electron mode turbulence in the H-mode inner core with electron heating

DOE PAGES

Ernst, D. R.; Burrell, K. H.; Guttenfelder, W.; ...

2016-05-10

In a series of DIII-D [J. L. Luxon, Nucl. Fusion 42 614 (2002)] low torque quiescent H-mode experiments show that density gradient driven TEM (DGTEM) turbulence dominates the inner core of H-Mode plasmas during strong electron cyclotron heating (ECH). By adding 3.4 MW ECH doubles T e/T i from 0.5 to 1.0, which halves the linear DGTEM critical density gradient, locally reducing density peaking, while transport in all channels displays extreme stiffness in the density gradient. This then suggests fusion -heating may degrade inner core confinement in H-Mode plasmas with moderate density peaking and low collisionality, with equal electron andmore » ion temperatures, key conditions expected in burning plasmas. Gyrokinetic simulations using GYRO [J. Candy and R. E. Waltz, J. Comp. Phys. 186 545 (2003)] (and GENE [F. Jenko et al., Phys. Plasmas 7, 1904 (2000)]) closely match not only particle, energy, and momentum fluxes, but also density fluctuation spectra from Doppler Backscattering (DBS), with and without ECH. Inner core DBS density fluctuations display discrete frequencies with adjacent toroidal mode numbers, which we identify as DGTEMs. GS2 [W. Dorland et al., Phys. Rev. Lett. 85 5579 (2000)] predictions show the DGTEM can be suppressed, to avoid degradation with electron heating, by broadening the current density profile to attain q 0 > q min > 1.« less

Comparative analysis of core heat transport of JET high density H-mode plasmas in carbon wall and ITER-like wall

NASA Astrophysics Data System (ADS)

Kim, Hyun-Tae; Romanelli, M.; Voitsekhovitch, I.; Koskela, T.; Conboy, J.; Giroud, C.; Maddison, G.; Joffrin, E.; contributors, JET

2015-06-01

A consistent deterioration of global confinement in H-mode experiments has been observed in JET [1] following the replacement of all carbon plasma facing components (PFCs) with an all metal (‘ITER-like’) wall (ILW). This has been correlated to the observed degradation of the pedestal confinement, as lower electron temperature (Te) values are routinely measured at the top of the edge barrier region. A comparative investigation of core heat transport in JET-ILW and JET-CW (carbon wall) discharges has been performed, to assess whether core confinement has also been affected by the wall change. The results presented here have been obtained by analysing a set of discharges consisting of high density JET-ILW H-mode plasmas and comparing them against their counterpart discharges in JET-CW having similar global operational parameters. The set contains 10 baseline ({βN}=1.5∼ 2 ) discharge-pairs with 2.7 T toroidal magnetic field, 2.5 MA plasma current, and 14 to 17 MW of neutral beam injection (NBI) heating. Based on a Te profile analysis using high resolution Thomson scattering (HRTS) data, the Te profile peaking (i.e. core Te (ρ = 0.3) / edge Te (ρ = 0.7)) is found to be similar, and weakly dependent on edge Te, for both JET-ILW and JET-CW discharges. When ILW discharges are seeded with N2, core and edge Te both increase to maintain a similar peaking factor. The change in core confinement is addressed with interpretative TRANSP simulations. It is found that JET-ILW H-mode plasmas have higher NBI power deposition to electrons and lower NBI power deposition to ions as compared to the JET-CW counterparts. This is an effect of the lower electron temperature at the top of the pedestal. As a result, the core electron energy confinement time is reduced in JET-ILW discharges, but the core ion energy confinement time is not decreased. Overall, the core energy confinement is found to be the same in the JET-ILW discharges compared to the JET-CW counterparts.

Properties of 10 (18)-10 (19)eV EAS at far core distance

NASA Technical Reports Server (NTRS)

Teshima, M.; Nagano, M.; Hara, T.; Hatano, Y.; Hayashida, N.; He, C. X.; Honda, M.; Ishikawa, F.; Kamata, K.; Matsubara, Y.

1985-01-01

The properties of 10 to the 18th power - 10 to the 19th power eV EAS showers such as the electron lateral distribution, the muon lateral distribution ( 1Gev), the ratio of muon density to a electron density, the shower front structure and the transition effects in scintillator of 5cm thickness are investigated with the Akeno 4 sq km/20sq km array at far core distances between 500m and 3000m. The fluctuation of densities and arrival time increase rapidly at core distances greater than 2km.

Direct correlations of structural and optical properties of three-dimensional GaN/InGaN core/shell micro-light emitting diodes

NASA Astrophysics Data System (ADS)

Sadat Mohajerani, Matin; Müller, Marcus; Hartmann, Jana; Zhou, Hao; Wehmann, Hergo-H.; Veit, Peter; Bertram, Frank; Christen, Jürgen; Waag, Andreas

2016-05-01

Three-dimensional (3D) InGaN/GaN quantum-well (QW) core-shell light emitting diodes (LEDs) are a promising candidate for the future solid state lighting. In this contribution, we study direct correlations of structural and optical properties of the core-shell LEDs using highly spatially-resolved cathodoluminescence spectroscopy (CL) in combination with scanning electron microscopy (SEM) and scanning transmission electron microscopy (STEM). Temperature-dependent resonant photoluminescence (PL) spectroscopy has been performed to understand recombination mechanisms and to estimate the internal quantum efficiency (IQE).

A comparative study of a (0-3) connectivity type composite and core-shell structure of CoFe2O4 - BaTiO3 based on microstructure and magnetic property

NASA Astrophysics Data System (ADS)

Das, Avisek; Gorige, Venkataiah

2018-04-01

In this work CoFe2O4 (CFO)-BaTiO3 (BTO) composite and core-shell CFO-BTO have been prepared to investigate the effect of microstructure on the magnetic properties. Detailed microstructure analysis has been carried out using X-ray diffraction, field emission scanning electron microscope and transmission electron microscope. Although uniform distribution of CFO is found in BTO matrix for the composite sample, magnetization and coercivity values are more enhanced in core-shell CFO-BTO.

Selectivity of peptide bond dissociation on excitation of a core electron: Effects of a phenyl group

NASA Astrophysics Data System (ADS)

Tsai, Cheng-Cheng; Chen, Jien-Lian; Hu, Wei-Ping; Lin, Yi-Shiue; Lin, Huei-Ru; Lee, Tsai-Yun; Lee, Yuan T.; Ni, Chi-Kung; Liu, Chen-Lin

2016-09-01

The selective dissociation of a peptide bond upon excitation of a core electron in acetanilide and N-benzylacetamide was investigated. The total-ion-yield near-edge X-ray absorption fine structure spectra were recorded and compared with the predictions from time-dependent density functional theory. The branching ratios for the dissociation of a peptide bond are observed as 16-34% which is quite significant. This study explores the core-excitation, the X-ray photodissociation pathways, and the theoretical explanation of the NEXAFS spectra of organic molecules containing both a peptide bond and a phenyl group.

Radiative Properties of Carriers in Cdse-Cds Core-Shell Heterostructured Nanocrystals of Various Geometries

NASA Astrophysics Data System (ADS)

Zhou, S.; Dong, L.; Popov, S.; Friberg, A. T.

2013-07-01

We report a model on core-shell heterostructured nanocrystals with CdSe as the core and CdS as the shell. The model is based on one-band Schrödinger equation. Three different geometries, nanodot, nanorod, and nanobone, are implemented. The carrier localization regimes with these structures are simulated, compared, and analyzed. Based on the electron and hole wave functions, the carrier overlap integral that has a great impact on stimulated emission is further investigated numerically by a novel approach. Furthermore, the relation between the nanocrystal size and electron-hole recombination energy is also examined.

Structural and electronic properties of CdS/ZnS core/shell nanowires: A first-principles study

NASA Astrophysics Data System (ADS)

Kim, Hyo Seok; Kim, Yong-Hoon

2015-03-01

Carrying out density functional theory (DFT) calculation, we studied the relative effects of quantum confinement and strain on the electronic structures of II-IV semiconductor compounds with a large lattice-mismatch, CdS and ZnS, in the core/shell nanowire geometry. We considered different core radii and shell thickness of the CdS/ZnS core/shell nanowire, different surface facets, and various defects in the core/shell interface and surface regions. To properly describe the band level alignment at the core/shell boundary, we adopted the self-interaction correction (SIC)-DFT scheme. Implications of our findings in the context of device applications will be also discussed. This work was supported by the Basic Science Research Grant (No. 2012R1A1A2044793), Global Frontier Program (No. 2013-073298), and Nano-Material Technology Development Program (2012M3A7B4049888) of the National Research Foundation funded by the Ministry of Education, Science and Technology of Korea. Corresponding author

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

Verma, Prakash; Bartlett, Rodney J., E-mail: bartlett@qtp.ufl.edu

Core excitation energies are computed with time-dependent density functional theory (TD-DFT) using the ionization energy corrected exchange and correlation potential QTP(0,0). QTP(0,0) provides C, N, and O K-edge spectra to about an electron volt. A mean absolute error (MAE) of 0.77 and a maximum error of 2.6 eV is observed for QTP(0,0) for many small molecules. TD-DFT based on QTP (0,0) is then used to describe the core-excitation spectra of the 22 amino acids. TD-DFT with conventional functionals greatly underestimates core excitation energies, largely due to the significant error in the Kohn-Sham occupied eigenvalues. To the contrary, the ionization energymore » corrected potential, QTP(0,0), provides excellent approximations (MAE of 0.53 eV) for core ionization energies as eigenvalues of the Kohn-Sham equations. As a consequence, core excitation energies are accurately described with QTP(0,0), as are the core ionization energies important in X-ray photoionization spectra or electron spectroscopy for chemical analysis.« less

Fabrication of Fe3O4@CuO core-shell from MOF based materials and its antibacterial activity

NASA Astrophysics Data System (ADS)

Rajabi, S. K.; Sohrabnezhad, Sh.; Ghafourian, S.

2016-12-01

Magnetic Fe3O4@CuO nanocomposite with a core/shell structure was successfully synthesized via direct calcinations of magnetic Fe3O4@HKUST-1 in air atmosphere. The morphology, structure, magnetic and porous properties of the as-synthesized nano composites were characterized by using scanning electron microscope (SEM), transmission electron microscopy (TEM), powder X-ray diffraction (PXRD), and vibration sample magnetometer (VSM). The results showed that the nanocomposite material included a Fe3O4 core and a CuO shell. The Fe3O4@CuO core-shell can be separated easily from the medium by a small magnet. The antibacterial activity of Fe3O4-CuO core-shell was investigated against gram-positive and gram-negative bacteria. A new mechanism was proposed for inactivation of bacteria over the prepared sample. It was demonstrated that the core-shell exhibit recyclable antibacterial activity, acting as an ideal long-acting antibacterial agent.

Theoretical insights into the effect of a conjugated core on the hole transport properties of hole-transporting materials for perovskite solar cells.

PubMed

Zhang, Zemin; Hu, Weixia; Cui, Jianyu; He, Rongxing; Shen, Wei; Li, Ming

2017-09-20

Conjugated bifluorenylidene and naphthalene central cores are introduced into hole-transporting materials DT1 and DT2 to replace the spiro-core of the reported, highly efficient FDT. The effects of the conjugated core on the geometrics, electronic properties and hole transport properties are investigated by using density functional theory coupled with Marcus theory and the Einstein relation. The calculated results show that DT1 (-5.21 eV) and DT2 (-5.23 eV) have lower HOMO levels than FDT (-5.15 eV), which indicates that the perovskite solar cells with conjugated hole-transporting materials can have higher open-circuit voltages. The introduction of the conjugated core is beneficial to the more efficient face-to-face packing pattern of the dimer, resulting in a larger intermolecular electronic coupling. Importantly, it is found that DT1 (1.6 × 10 -3 cm 2 V -1 s -1 ) and DT2 (2.7 × 10 -2 cm 2 V -1 s -1 ) exhibit relatively higher hole mobilities than FDT (1.3 × 10 -4 cm 2 V -1 s -1 ) owing to the larger electronic coupling. Therefore, enhanced hole transport ability can be achieved by switching from the spiro-core to the conjugated core. The present work provides a new strategy to improve the hole transport properties of hole-transporting materials, which will contribute to the development of conjugated small molecules as hole-transporting materials in efficient perovskite solar cells.

Room-temperature ferromagnetic Cr-doped Ge/GeOx core-shell nanowires.

PubMed

Katkar, Amar S; Gupta, Shobhnath P; Seikh, Md Motin; Chen, Lih-Juann; Walke, Pravin S

2018-06-08

The Cr-doped tunable thickness core-shell Ge/GeO x nanowires (NWs) were synthesized and characterized using x-ray diffraction, field-emission scanning electron microscopy, transmission electron microscopy, energy-dispersive x-ray spectroscopy, x-ray photoelectron spectroscopy and magnetization studies. The shell thickness increases with the increase in synthesis temperature. The presence of metallic Cr and Cr 3+ in core-shell structure was confirmed from XPS study. The magnetic property is highly sensitive to the core-shell thickness and intriguing room temperature ferromagnetism is realized only in core-shell NWs. The magnetization decreases with an increase in shell thickness and practically ceases to exist when there is no core. These NWs show remarkably high Curie temperature (T C  > 300 K) with the dominating values of its magnetic remanence (M R ) and coercivity (H C ) compared to germanium dilute magnetic semiconductor nanomaterials. We believe that our finding on these Cr-doped Ge/GeO X core-shell NWs has the potential to be used as a hard magnet for future spintronic devices, owing to their higher characteristic values of ferromagnetic ordering.

IBS FOR ION DISTRIBUTION UNDER ELECTRON COOLING.

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

FEDOTOV,A.V.; BEN-ZVI,I.; EIDELMAN, YU.

Standard models of the intra-beam scattering (IBS) are based on the growth of the rms beam parameters for a Gaussian distribution. As a result of electron cooling, the core of beam distribution is cooled much faster than the tails, producing a denser core. In this paper, we compare various approaches to IBS treatment for such distribution. Its impact on the luminosity is also discussed.

Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach.

PubMed

Bistoni, Giovanni; Riplinger, Christoph; Minenkov, Yury; Cavallo, Luigi; Auer, Alexander A; Neese, Frank

2017-07-11

The validity of the main approximations used in canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) in standard chemical applications is discussed. In particular, we investigate the dependence of the results on the number of electrons included in the correlation treatment in frozen-core (FC) calculations and on the main threshold governing the accuracy of DLPNO all-electron (AE) calculations. Initially, scalar relativistic orbital energies for the ground state of the atoms from Li to Rn in the periodic table are calculated. An energy criterion is used for determining the orbitals that can be excluded from the correlation treatment in FC coupled cluster calculations without significant loss of accuracy. The heterolytic dissociation energy (HDE) of a series of metal compounds (LiF, NaF, AlF 3 , CaF 2 , CuF, GaF 3 , YF 3 , AgF, InF 3 , HfF 4 , and AuF) is calculated at the canonical CCSD(T) level, and the dependence of the results on the number of correlated electrons is investigated. Although for many of the studied reactions subvalence correlation effects contribute significantly to the HDE, the use of an energy criterion permits a conservative definition of the size of the core, allowing FC calculations to be performed in a black-box fashion while retaining chemical accuracy. A comparison of the CCSD and the DLPNO-CCSD methods in describing the core-core, core-valence, and valence-valence components of the correlation energy is given. It is found that more conservative thresholds must be used for electron pairs containing at least one core electron in order to achieve high accuracy in AE DLPNO-CCSD calculations relative to FC calculations. With the new settings, the DLPNO-CCSD method reproduces canonical CCSD results in both AE and FC calculations with the same accuracy.

Metabolic profiling using direct infusion electrospray ionisation mass spectrometry for the characterisation of olive oils.

PubMed

Goodacre, Royston; Vaidyanathan, Seetharaman; Bianchi, Giorgio; Kell, Douglas B

2002-11-01

There is a continuing need for improved methods for assessing the adulteration of foodstuffs. We report some highly encouraging data, where we have developed direct infusion electrospray ionisation mass spectrometry (ESI-MS) together with chemometrics as a novel, rapid (1 min per sample) and powerful technique to elucidate key metabolite differences in vegetable and nut oils. Principal components analysis of these ESI-MS spectra show that the reproducibility of this approach is high and that olive oil can be discriminated from oils which are commonly used as adulterants. These adulterants include refined hazelnut oil, which is particularly challenging given its chemical similarity to olive oils.

Capillary electrophoresis with electrospray ionisation-mass spectrometry for the characterisation of degradation products in aged papers.

PubMed

Dupont, Anne-Laurence; Seemann, Agathe; Lavédrine, Bertrand

2012-01-30

A methodology for capillary electrophoresis/electrospray ionisation mass spectrometry (CE/ESI-MS) was developed for the simultaneous analysis of degradation products from paper among two families of compounds: low molar mass aliphatic organic acids, and aromatic (phenolic and furanic) compounds. The work comprises the optimisation of the CE separation and the ESI-MS parameters for improved sensitivity with model compounds using two successive designs of experiments. The method was applied to the analysis of lignocellulosic paper at different stages of accelerated hygrothermal ageing. The compounds of interest were identified. Most of them could be quantified and several additional analytes were separated. Copyright © 2011 Elsevier B.V. All rights reserved.

The use of ionisation chambers for dose rate measurements at industrial irradiation plants

NASA Astrophysics Data System (ADS)

Sephton, J. P.; Sharpe, P. H. G.; Chu, R. D. H.

2002-03-01

The use of ionisation chambers to measure dose rate at industrial irradiation plants has been studied as part of a wider project on real time dosimetry. The characteristics required of such a chamber are discussed. These include the ability to withstand operation at high cumulative doses (up to 5 MGy) and dose rates of up to about 150 kGy h -1. Other desirable features are water equivalence and immunity to environmental conditions such as temperature, pressure and humidity. A number of chambers have been assessed experimentally and a suitable chamber selected. The dosimetric characteristics of the chosen chamber have been assessed by comparison with absorbed dose measurements made using chemical dosimeters.

Plasma concentrations of parathyroid hormone-related protein in dogs with potential disorders of calcium metabolism.

PubMed

Mellanby, R J; Craig, R; Evans, H; Herrtage, M E

2006-12-16

The plasma concentrations of total calcium, ionised calcium, albumin, parathyroid hormone and parathyroid hormone-related protein (PTHrp) were measured in 25 dogs with lymphoma, nine dogs with primary hyperparathyroidism and seven dogs with adenocarcinoma of the apocrine gland of the anal sac. Plasma total calcium, ionised calcium, albumin and parathyroid hormone-related protein were measured in 18 clinically normal control dogs. The concentration of PTHrp was high in 12 of the 14 dogs that were hypercalcaemic because of an underlying malignancy but was within the reference range in all the control dogs, in the 17 normocalcaemic dogs with lymphoma and in the seven dogs which were hypercalcaemic because of a parathyroid adenoma.

The combined effects of high-energy shock waves and ionising radiation on a human bladder cancer cell line.

PubMed

Fickweiler, S; Steinbach, P; Wörle, K; Hofstädter, F

1996-01-01

The effects of high-energy shock waves (HESW) generated by an experimental Siemens lithotripter in combination with 137Cs gamma-rays were examined in vitro. Proliferation after treatment of immobilised pellets of either single cells or multicellular spheroids of the bladder cancer cell line RT4 was determined using colony-forming assays and cell cycle analysis. Surviving and cell cycle fractions were calculated for each shock wave and radiation application mode separately, and for sequential combination in different successions for the purpose of characterizing the interaction of both treatment modalities. Combination of HESW and ionising radiation turned out to act additively or slightly supra-additively on both biologic models.

Electronic Structure Calculations and Adaptation Scheme in Multi-core Computing Environments

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

Seshagiri, Lakshminarasimhan; Sosonkina, Masha; Zhang, Zhao

2009-05-20

Multi-core processing environments have become the norm in the generic computing environment and are being considered for adding an extra dimension to the execution of any application. The T2 Niagara processor is a very unique environment where it consists of eight cores having a capability of running eight threads simultaneously in each of the cores. Applications like General Atomic and Molecular Electronic Structure (GAMESS), used for ab-initio molecular quantum chemistry calculations, can be good indicators of the performance of such machines and would be a guideline for both hardware designers and application programmers. In this paper we try to benchmarkmore » the GAMESS performance on a T2 Niagara processor for a couple of molecules. We also show the suitability of using a middleware based adaptation algorithm on GAMESS on such a multi-core environment.« less

Core protein cleavage by signal peptide peptidase is required for hepatitis C virus-like particle assembly

PubMed Central

Ait-Goughoulte, Malika; Hourioux, Christophe; Patient, Romuald; Trassard, Sylvie; Brand, Denys; Roingeard, Philippe

2006-01-01

SUMMARY Hepatitis C virus (HCV) core protein, expressed with a Semliki forest virus (SFV) replicon, self-assembles into HCV-like particles (HCV-LP) at the endoplasmic reticulum (ER) membrane, providing an opportunity to study HCV assembly and morphogenesis by electron microscopy. We used this model to investigate whether the processing of the HCV core protein by the signal peptide peptidase (SPP) is required for the HCV-LP assembly. We designed several mutants as there are conflicting reports concerning the cleavage of mutant proteins by SPP. Production of the only core mutant protein that escaped SPP processing led to the formation of multiple layers of electron-dense ER membrane, with no evidence of HCV-LP assembly. Our data shed light on the HCV core residues involved in SPP cleavage and suggest that this cleavage is essential for HCV assembly. PMID:16528035

Quantifying the Impact of Nanoparticle Coatings and Non-uniformities on XPS Analysis: Gold/silver Core-shell Nanoparticles

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

Wang, Yung-Chen Andrew; Engelhard, Mark H.; Baer, Donald R.

2016-03-07

Abstract or short description: Spectral modeling of photoelectrons can serve as a valuable tool when combined with X-ray photoelectron spectroscopy (XPS) analysis. Herein, a new version of the NIST Simulation of Electron Spectra for Surface Analysis (SESSA 2.0) software, capable of directly simulating spherical multilayer NPs, was applied to model citrate stabilized Au/Ag-core/shell nanoparticles (NPs). The NPs were characterized using XPS and scanning transmission electron microscopy (STEM) to determine the composition and morphology of the NPs. The Au/Ag-core/shell NPs were observed to be polydispersed in size, non-circular, and contain off-centered Au-cores. Using the average NP dimensions determined from STEM analysis,more » SESSA spectral modeling indicated that washed Au/Ag-core shell NPs were stabilized with a 0.8 nm l« less

Characterisation of Plasma Filled Rod Pinch electron beam diode operation

NASA Astrophysics Data System (ADS)

MacDonald, James; Bland, Simon; Chittenden, Jeremy

2016-10-01

The plasma filled rod pinch diode (aka PFRP) offers a small radiographic spot size and a high brightness source. It operates in a very similar to plasma opening switches and dense plasma focus devices - with a plasma prefill, supplied via a number of simple coaxial plasma guns, being snowploughed along a thin rod cathode, before detaching at the end. The aim of this study is to model the PFRP and understand the factors that affect its performance, potentially improving future output. Given the dependence on the PFRP on the prefill, we are making detailed measurements of the density (1015-1018 cm-3), velocity, ionisation and temperature of the plasma emitted from a plasma gun/set of plasma guns. This will then be used to provide initial conditions to the Gorgon 3D MHD code, and the dynamics of the entire rod pinch process studied.

Kinetic modelling of the optically stimulated conversion of peaks 5a and 5 to peak 4 in LiF:Mg,Ti (TLD-100).

PubMed

Weizman, Y; Horowitz, Y S; Oster, L

2002-01-01

The TC/LC conversion model for peaks 4, 5a and 5 in LiF:Mg,Ti (TLD-100) has been studied by solution of the coupled differential equations describing the charge carrier traffic following optical stimulation. Aspects of the model investigated were (i) the two-component exponential decay of the composite peak 5 TL intensity following the bleach, (ii) the role of retrapping during bleaching, (iii) the hole nature of peak 4 and (iv) the conversion of peak 5a traps to peak 4 traps. The high conversion efficiency is naturally explained due to the absence of conduction band competitive mechanisms in the optical ionisation of the electron in the e-h occupied structure corresponding to peak 5a and thereby leading to the hole-only occupied TC/LC leading to peak 4.

Thermoluminescence glow-curve characteristics of LiF phosphors at high doses of gamma radiation

NASA Astrophysics Data System (ADS)

Benny, P. G.; Khader, S. A.; Sarma, K. S. S.

2013-05-01

High doses of ionising radiation are becoming increasingly common for radiation-processing applications of various medical, agricultural and polymer products using gamma and electron beams. The objective of this work was to study thermoluminescence (TL) glow-curve characteristics of commonly used commercial LiF TL phosphors at high doses of radiation with a view to use them in dosimetry of radiation-processing applications. The TL properties of TLD 100 and 700 phosphors, procured from the Thermo-Scientific (previously Harshaw) company, have been studied in the dose range of 1-60 kGy. The shift in glow peaks was observed in this dose range. Integral TL responses of TLD 100 and TLD 700 were found to decrease as a linear function of dose in the range of 5-50 kGy. The paper describes initial results related to the glow-curve characteristics of these phosphors.

MEASUREMENTS OF THE IONISING RADIATION LEVEL AT A NUCLEAR MEDICINE FACILITY PERFORMING PET/CT EXAMINATIONS.

PubMed

Tulik, P; Kowalska, M; Golnik, N; Budzynska, A; Dziuk, M

2017-05-01

This paper presents the results of radiation level measurements at workplaces in a nuclear medicine facility performing PET/CT examinations. This study meticulously determines the staff radiation exposure in a PET/CT facility by tracking the path of patient movement. The measurements of the instantaneous radiation exposure were performed using an electronic radiometer with a proportional counter that was equipped with the option of recording the results on line. The measurements allowed for visualisation of the staff's instantaneous exposure caused by a patient walking through the department after the administration of 18F-FDG. An estimation of low doses associated with each working step and the exposure during a routine day in the department was possible. The measurements were completed by determining the average radiation level using highly sensitive thermoluminescent detectors. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate

NASA Astrophysics Data System (ADS)

Śmialek, Malgorzata A.; Łabuda, Marta; Guthmuller, Julien; Hubin-Franskin, Marie-Jeanne; Delwiche, Jacques; Hoffmann, Søren Vrønning; Jones, Nykola C.; Mason, Nigel J.; Limão-Vieira, Paulo

2016-06-01

The high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5-10.7 eV (275.5-116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections have been used to calculate the photolysis lifetime of this ester in the upper stratosphere (20-50 km). Calculations have also been carried out to determine the ionisation energies and fine structure of the lowest ionic state of ethyl acetate and are compared with a newly recorded photoelectron spectrum (from 9.5 to 16.7 eV). Vibrational structure is observed in the first photoelectron band of this molecule for the first time.

Cross-scale: multi-scale coupling in space plasmas

NASA Astrophysics Data System (ADS)

Schwartz, Steven J.; Horbury, Timothy; Owen, Christopher; Baumjohann, Wolfgang; Nakamura, Rumi; Canu, Patrick; Roux, Alain; Sahraoui, Fouad; Louarn, Philippe; Sauvaud, Jean-André; Pinçon, Jean-Louis; Vaivads, Andris; Marcucci, Maria Federica; Anastasiadis, Anastasios; Fujimoto, Masaki; Escoubet, Philippe; Taylor, Matt; Eckersley, Steven; Allouis, Elie; Perkinson, Marie-Claire

2009-03-01

Most of the visible universe is in the highly ionised plasma state, and most of that plasma is collision-free. Three physical phenomena are responsible for nearly all of the processes that accelerate particles, transport material and energy, and mediate flows in systems as diverse as radio galaxy jets and supernovae explosions through to solar flares and planetary magnetospheres. These processes in turn result from the coupling amongst phenomena at macroscopic fluid scales, smaller ion scales, and down to electron scales. Cross-Scale, in concert with its sister mission SCOPE (to be provided by the Japan Aerospace Exploration Agency—JAXA), is dedicated to quantifying that nonlinear, time-varying coupling via the simultaneous in-situ observations of space plasmas performed by a fleet of 12 spacecraft in near-Earth orbit. Cross-Scale has been selected for the Assessment Phase of Cosmic Vision by the European Space Agency.

Cross-Scale: multi-scale coupling in space plasmas

NASA Astrophysics Data System (ADS)

Vaivads, A.; Taylor, M. G.

2009-12-01

Most of the visible universe is in the highly ionised plasma state, and most of that plasma is collision-free. Three physical phenomena are responsible for nearly all of the processes that accelerate particles, transport material and energy, and mediate flows in systems as diverse as radio galaxy jets and supernovae explosions through to solar flares and planetary magnetospheres. These processes in turn result from the coupling amongst phenomena at macroscopic fluid scales, smaller ion scales, and down to electron scales. Cross-Scale, in concert with its sister mission SCOPE (to be provided by the Japan Aerospace Exploration Agency—JAXA in collaboration with the Canadian Space Agency), is dedicated to quantifying that nonlinear, time-varying coupling via the simultaneous in-situ observations of space plasmas performed by a fleet of 12 spacecraft in near-Earth orbit. Cross-Scale is currently in the Assessment Phase of ESA's Cosmic Vision.

The first bump-bonded pixel detectors on CVD diamond

NASA Astrophysics Data System (ADS)

Adam, W.; Bauer, C.; Berdermann, E.; Bergonzo, P.; Bogani, F.; Borchi, E.; Brambilla, A.; Bruzzi, M.; Colledani, C.; Conway, J.; Dabrowski, W.; Delpierre, P.; Deneuville, A.; Dulinski, W.; van Eijk, B.; Fallou, A.; Fizzotti, F.; Foulon, F.; Friedl, M.; Gan, K. K.; Gheeraert, E.; Grigoriev, E.; Hallewell, G.; Hall-Wilton, R.; Han, S.; Hartjes, F.; Hrubec, J.; Husson, D.; Kagan, H.; Kania, D.; Kaplon, J.; Karl, C.; Kass, R.; Krammer, M.; Logiudice, A.; Lu, R.; Manfredi, P. F.; Manfredotti, C.; Marshall, R. D.; Meier, D.; Mishina, M.; Oh, A.; Palmieri, V. G.; Pan, L. S.; Peitz, A.; Pernicka, M.; Pirollo, S.; Polesello, P.; Pretzl, K.; Re, V.; Riester, J. L.; Roe, S.; Roff, D.; Rudge, A.; Schnetzer, S.; Sciortino, S.; Speziali, V.; Stelzer, H.; Steuerer, J.; Stone, R.; Tapper, R. J.; Tesarek, R.; Trawick, M.; Trischuk, W.; Turchetta, R.; Vittone, E.; Wagner, A.; Walsh, A. M.; Wedenig, R.; Weilhammer, P.; Zeuner, W.; Ziock, H.; Zoeller, M.; Charles, E.; Ciocio, A.; Dao, K.; Einsweiler, K.; Fasching, D.; Gilchriese, M.; Joshi, A.; Kleinfelder, S.; Milgrome, O.; Palaio, N.; Richardson, J.; Sinervo, P.; Zizka, G.; RD42 Collaboration

1999-11-01

Diamond is a nearly ideal material for detecting ionising radiation. Its outstanding radiation hardness, fast charge collection and low leakage current allow it to be used in high radiation environments. These characteristics make diamond sensors particularly appealing for use in the next generation of pixel detectors. Over the last year, the RD42 collaboration has worked with several groups that have developed pixel readout electronics in order to optimise diamond sensors for bump-bonding. This effort resulted in an operational diamond pixel sensor that was tested in a pion beam. We demonstrate that greater than 98% of the channels were successfully bump-bonded and functioning. The device shows good overall hit efficiency as well as clear spatial hit correlation to tracks measured in a silicon reference telescope. A position resolution of 14.8 μm was observed, consistent with expectations given the detector pitch.

ELECTRON GUN

DOEpatents

Christofilos, N.C.; Ehlers, K.W.

1960-04-01

A pulsed electron gun capable of delivering pulses at voltages of the order of 1 mv and currents of the order of 100 amperes is described. The principal novelty resides in a transformer construction which is disposed in the same vacuum housing as the electron source and accelerating electrode structure of the gun to supply the accelerating potential thereto. The transformer is provided by a plurality of magnetic cores disposed in circumferentially spaced relation and having a plurality of primary windings each inductively coupled to a different one of the cores, and a helical secondary winding which is disposed coaxially of the cores and passes therethrough in circumferential succession. Additional novelty resides in the disposition of the electron source cathode filament input leads interiorly of the transformer secondary winding which is hollow, as well as in the employment of a half-wave filament supply which is synchronously operated with the transformer supply such that the transformer is pulsed during the zero current portions of the half-wave cycle.

Surfactant mediated hydrothermal synthesis, characterization and luminescent properties of GdPO{sub 4}: Ce{sup 3+}/Tb{sup 3+} @ GdPO{sub 4} core shell nanorods

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

Khajuria, Heena; Ladol, Jigmet; Khajuria, Sonika

Highlights: • Core shell nanorods were synthesised by surfactant assisted hydrothermal method. • Morphology of core shell nanorods resembles those of core nanorods indicating coating of shell on cores. • More uniform and non-aggregated core shell nanorods were prepared in presence of surfactants. • Surfactant assisted prepared core shell nanorods show intense emission as compared to uncoated core nanorods. - Abstract: Core shell GdPO{sub 4}: Ce{sup 3+}/Tb{sup 3+} @ GdPO{sub 4} nanorods were synthesized via hydrothermal route in the presence of different surfactants [cetyltrimethyl ammonium bromide (CTAB) and Sodium dodecyl sulphate (SDS)]. The nanorods were characterized by powder X-ray diffractionmore » (PXRD), fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS) and photoluminescence (PL) studies. The X-ray diffraction results indicate good crystallinity and effective doping in core and core shell nanorods. SEM and TEM micrographs show that all of the as prepared gadolinium phosphate products have rod like shape. The compositional analysis of GdPO{sub 4}: Ce{sup 3+}/Tb{sup 3+} core was done by EDS. The emission intensity of the GdPO{sub 4}: Ce{sup 3+}/Tb{sup 3+} @ GdPO{sub 4} core shell increased significantly with respect to those of GdPO{sub 4}: Ce{sup 3+}/Tb{sup 3+} core nanorods. The effect of surfactant on the uniformity, thickness and luminescence of the core shell nanorods was investigated.« less

Morphology and electronic structure of the oxide shell on the surface of iron nanoparticles.

PubMed

Wang, Chongmin; Baer, Donald R; Amonette, James E; Engelhard, Mark H; Antony, Jiji; Qiang, You

2009-07-01

An iron (Fe) nanoparticle exposed to air at room temperature will be instantly covered by an oxide shell that is typically approximately 3 nm thick. The nature of this native oxide shell, in combination with the underlying Fe(0) core, determines the physical and chemical behavior of the core-shell nanoparticle. One of the challenges of characterizing core-shell nanoparticles is determining the structure of the oxide shell, that is, whether it is FeO, Fe(3)O(4), gamma-Fe(2)O(3), alpha-Fe(2)O(3), or something else. The results of prior characterization efforts, which have mostly used X-ray diffraction and spectroscopy, electron diffraction, and transmission electron microscopic imaging, have been framed in terms of one of the known Fe-oxide structures, although it is not necessarily true that the thin layer of Fe oxide is a known Fe oxide. In this Article, we probe the structure of the oxide shell on Fe nanoparticles using electron energy loss spectroscopy (EELS) at the oxygen (O) K-edge with a spatial resolution of several nanometers (i.e., less than that of an individual particle). We studied two types of representative particles: small particles that are fully oxidized (no Fe(0) core) and larger core-shell particles that possess an Fe core. We found that O K-edge spectra collected for the oxide shell in nanoparticles show distinct differences from those of known Fe oxides. Typically, the prepeak of the spectra collected on both the core-shell and the fully oxidized particles is weaker than that collected on standard Fe(3)O(4). Given the fact that the origin of this prepeak corresponds to the transition of the O 1s electron to the unoccupied state of O 2p hybridized with Fe 3d, a weak pre-edge peak indicates a combination of the following four factors: a higher degree of occupancy of the Fe 3d orbital; a longer Fe-O bond length; a decreased covalency of the Fe-O bond; and a measure of cation vacancies. These results suggest that the coordination configuration in the oxide shell on Fe nanoparticles is defective as compared to that of their bulk counterparts. Implications of these defective structural characteristics on the properties of core-shell structured iron nanoparticles are discussed.

Absorption spectrometric and thermodynamic study of charge transfer complexes of menadione (Vitamin K 3) with a series of phenols

NASA Astrophysics Data System (ADS)

Pal, Purnendu; Bhattacharya, Sumanta; Mukherjee, Asok K.; Mukherjee, Dulal C.

2005-03-01

The electron donor-acceptor (EDA) interactions between menadione (i.e., 2-methyl-1,4-naphthoquinone, which is also called 'Vitamin K 3') and a series of phenols (viz., phenol, resorcinol and p-quinol) have been studied in CCl 4 medium. In all the cases, charge transfer (CT) bands have been located. The CT transition energies ( hνCT) of the complexes are found to change systematically with change in the number and position of the -OH groups in the aromatic ring of the phenol moiety. From the trends in the hνCT values, the Hückel parameters ( hÖ and kC-Ö) for the -OH group have been obtained. The CT transition energies are well correlated with the ionisation potentials of the phenols. From an analysis of this variation the electron affinity of Vitamin K 3 has been found to be 2.28 eV. The stoichiometry of the complexes in each case has been found to be 1(menadione):2 (phenol). Formation constants of the complexes have been determined at four different temperatures from which the enthalpies and entropies of formation of the complexes have been estimated.

Absorption spectrometric and thermodynamic study of charge transfer complexes of menadione (Vitamin K3) with a series of phenols.

PubMed

Pal, Purnendu; Bhattacharya, Sumanta; Mukherjee, Asok K; Mukherjee, Dulal C

2005-03-01

The electron donor-acceptor (EDA) interactions between menadione (i.e., 2-methyl-1,4-naphthoquinone, which is also called 'Vitamin K3') and a series of phenols (viz., phenol, resorcinol and p-quinol) have been studied in CCl4 medium. In all the cases, charge transfer (CT) bands have been located. The CT transition energies (h nu(CT)) of the complexes are found to change systematically with change in the number and position of the -OH groups in the aromatic ring of the phenol moiety. From the trends in the h nu(CT) values, the Hückel parameters (h(O) and k(C-O)) for the -OH group have been obtained. The CT transition energies are well correlated with the ionisation potentials of the phenols. From an analysis of this variation the electron affinity of Vitamin K3 has been found to be 2.28 eV. The stoichiometry of the complexes in each case has been found to be 1(menadione):2 (phenol). Formation constants of the complexes have been determined at four different temperatures from which the enthalpies and entropies of formation of the complexes have been estimated.

Imaging and radiation effects of gold nanoparticles in tumour cells

PubMed Central

McQuaid, Harold N.; Muir, Mark F.; Taggart, Laura E.; McMahon, Stephen J.; Coulter, Jonathan A.; Hyland, Wendy B.; Jain, Suneil; Butterworth, Karl T.; Schettino, Giuseppe; Prise, Kevin M.; Hirst, David G.; Botchway, Stanley W.; Currell, Fred J.

2016-01-01

Gold nanoparticle radiosensitization represents a novel technique in enhancement of ionising radiation dose and its effect on biological systems. Variation between theoretical predictions and experimental measurement is significant enough that the mechanism leading to an increase in cell killing and DNA damage is still not clear. We present the first experimental results that take into account both the measured biodistribution of gold nanoparticles at the cellular level and the range of the product electrons responsible for energy deposition. Combining synchrotron-generated monoenergetic X-rays, intracellular gold particle imaging and DNA damage assays, has enabled a DNA damage model to be generated that includes the production of intermediate electrons. We can therefore show for the first time good agreement between the prediction of biological outcomes from both the Local Effect Model and a DNA damage model with experimentally observed cell killing and DNA damage induction via the combination of X-rays and GNPs. However, the requirement of two distinct models as indicated by this mechanistic study, one for short-term DNA damage and another for cell survival, indicates that, at least for nanoparticle enhancement, it is not safe to equate the lethal lesions invoked in the local effect model with DNA damage events. PMID:26787230

Efficient implementation of core-excitation Bethe-Salpeter equation calculations

NASA Astrophysics Data System (ADS)

Gilmore, K.; Vinson, John; Shirley, E. L.; Prendergast, D.; Pemmaraju, C. D.; Kas, J. J.; Vila, F. D.; Rehr, J. J.

2015-12-01

We present an efficient implementation of the Bethe-Salpeter equation (BSE) method for obtaining core-level spectra including X-ray absorption (XAS), X-ray emission (XES), and both resonant and non-resonant inelastic X-ray scattering spectra (N/RIXS). Calculations are based on density functional theory (DFT) electronic structures generated either by ABINIT or QuantumESPRESSO, both plane-wave basis, pseudopotential codes. This electronic structure is improved through the inclusion of a GW self energy. The projector augmented wave technique is used to evaluate transition matrix elements between core-level and band states. Final two-particle scattering states are obtained with the NIST core-level BSE solver (NBSE). We have previously reported this implementation, which we refer to as OCEAN (Obtaining Core Excitations from Ab initio electronic structure and NBSE) (Vinson et al., 2011). Here, we present additional efficiencies that enable us to evaluate spectra for systems ten times larger than previously possible; containing up to a few thousand electrons. These improvements include the implementation of optimal basis functions that reduce the cost of the initial DFT calculations, more complete parallelization of the screening calculation and of the action of the BSE Hamiltonian, and various memory reductions. Scaling is demonstrated on supercells of SrTiO3 and example spectra for the organic light emitting molecule Tris-(8-hydroxyquinoline)aluminum (Alq3) are presented. The ability to perform large-scale spectral calculations is particularly advantageous for investigating dilute or non-periodic systems such as doped materials, amorphous systems, or complex nano-structures.

Theoretical study of LiK and LiK+ in adiabatic representation

NASA Astrophysics Data System (ADS)

Al-dossary, Omar M.; Khelifi, Neji

2014-01-01

The potential energy curves have been calculated for the electronic states of the molecule LiK within the range 3 to 300 a.u., of the internuclear distance R. Using an ab initio method, through a semiempirical spin-orbit pseudo-potential for the Li (1 s 2) and K (1 s 22 s 22 p 63 s 23 p 6) cores and core valence correlation correction added to the electrostatic Hamiltonian with Gaussian basis sets for both atoms. The core valence effects including core-polarization and core-valence correlation are taken into account by using an l-dependent core-polarization potential. The molecular orbitals have been derived from self-consistent field (SCF) calculation. The spectroscopic constants, dipole moments and vibrational levels of the lowest electronic states of the LiK molecule dissociating into K (4 s, 4 p, 5 s, 3 d, and 5 p) + Li (2 s, 2 p, 3 s, and 3 p) in 1, 3Σ, 1, 3Π, and 1, 3Δ symmetries. Adiabatic results are also reported for 2Σ, 2Π, and 2Δ electronic states of the molecular ion LiK+ dissociating into Li (2 s, 2 p, 3 s, and 3 p) + K+ and Li+ + K (4 s, 4 p, 5 s, 3 d, and 5 p). The comparison of the present results with those available in the literature shows a very good agreement in spectroscopic constants of some lowest states of the LiK and LiK+ molecules, especially with the available theoretical works. The existence of numerous avoided crossing between electronic states of 2Σ and 2Π symmetries is related to the charge transfer process between the two ionic systems Li+K and LiK+.

Supercharging of the Lunar Surface by Solar Wind Halo Electrons

NASA Astrophysics Data System (ADS)

Stubbs, T. J.; Farrell, W. M.; Collier, M. R.; Halekas, J. S.; Delory, G. T.; Holland, M. P.; Vondrak, R. R.

2007-12-01

Lunar surface potentials can reach several kilovolts negative during Solar Energetic Particle (SEPs) events, as indicated by recent analysis of data from the Lunar Prospector Electron Reflectometer (LP/ER). The lunar surface- plasma interactions that result in such extreme surface potentials are poorly characterized and understood. Extreme lunar surface charging, and the associated electrostatic discharges and transport of charged dust, will likely present significant hazards to future human explorers. This is of particular concern near the terminator and polar regions, such as the South Pole/Aiken Basin site planned for NASA's manned outpost. It is the flux of electrons from the ambient plasma that charges the surface of the Moon to negative potentials. In the solar wind, the electron temperature is typically ~10 eV which tends to charge the lunar surface to ~100 V negative in shadow. However, during space weather events the solar wind electrons are often better described by the sum of two Maxwellian distributions, referred to as the "core" and "halo" components. The core electrons are relatively cool and dense (e.g., ~10 eV and ~10/cc), whereas the halo electrons are hot and tenuous (e.g., ~100 eV and ~0.1/cc). Despite, the tenuous nature of the halo electrons, our surface charging model - using core and halo electron data derived from the Solar Wind Experiment (SWE) aboard the Wind spacrcraft - predicts that they are capable of "supercharging" the lunar surface to kilovolt potentials during space weather events, which could explain the LP/ER observations.

Radioactivity backgrounds in ZEPLIN-III

NASA Astrophysics Data System (ADS)

Araújo, H. M.; Akimov, D. Yu.; Barnes, E. J.; Belov, V. A.; Bewick, A.; Burenkov, A. A.; Chepel, V.; Currie, A.; Deviveiros, L.; Edwards, B.; Ghag, C.; Hollingsworth, A.; Horn, M.; Kalmus, G. E.; Kobyakin, A. S.; Kovalenko, A. G.; Lebedenko, V. N.; Lindote, A.; Lopes, M. I.; Lüscher, R.; Majewski, P.; Murphy, A. St. J.; Neves, F.; Paling, S. M.; Pinto da Cunha, J.; Preece, R.; Quenby, J. J.; Reichhart, L.; Scovell, P. R.; Silva, C.; Solovov, V. N.; Smith, N. J. T.; Smith, P. F.; Stekhanov, V. N.; Sumner, T. J.; Thorne, C.; Walker, R. J.

2012-03-01

We examine electron and nuclear recoil backgrounds from radioactivity in the ZEPLIN-III dark matter experiment at Boulby. The rate of low-energy electron recoils in the liquid xenon WIMP target is 0.75 ± 0.05 events/kg/day/keV, which represents a 20-fold improvement over the rate observed during the first science run. Energy and spatial distributions agree with those predicted by component-level Monte Carlo simulations propagating the effects of the radiological contamination measured for materials employed in the experiment. Neutron elastic scattering is predicted to yield 3.05 ± 0.5 nuclear recoils with energy 5-50 keV per year, which translates to an expectation of 0.4 events in a 1 yr dataset in anti-coincidence with the veto detector for realistic signal acceptance. Less obvious background sources are discussed, especially in the context of future experiments. These include contamination of scintillation pulses with Cherenkov light from Compton electrons and from β activity internal to photomultipliers, which can increase the size and lower the apparent time constant of the scintillation response. Another challenge is posed by multiple-scatter γ-rays with one or more vertices in regions that yield no ionisation. If the discrimination power achieved in the first run can be replicated, ZEPLIN-III should reach a sensitivity of ˜1 × 10-8pb · yr to the scalar WIMP-nucleon elastic cross-section, as originally conceived.

Use of radionuclides in cancer research and treatment.

PubMed

Macías, M T

2009-03-01

Cancer occurs as a result of misregulation of cell growth, which appears to be a consequence of alteration in the function of oncogenes and tumour suppressor genes. Ionising radiation has been used, since the discovery of X-rays in 1896 by Roentgen, both in cancer research and treatment of the disease. The main purpose of cancer research is to understand the molecular alterations involved in the development and progression of the disease in order to improve diagnosis and develop personalised therapies, by focusing on the features of the tumoral cell and the biological events associated to carcinogenesis. Radioisotopic techniques have been used routinely for in vitro research in the molecular and cellular biology of cancer for more than 20 years and are in the process of being substituted by alternative non-radioactive techniques. However in vivo techniques such as irradiation of cells in culture and/or experimental animal models and radioactive labelling are in development, due in part to advances in molecular imaging technologies. The objective of this review is to analyse in an integrative way the applications of ionising radiation in cancer research and therapy. It had been divided into two parts. The first one will approach the techniques applied to cancer research and the second will summarise how ionising radiation is applied to the treatment of neoplastic disease.

Real-time analysis of aromatics in combustion engine exhaust by resonance-enhanced multiphoton ionisation time-of-flight mass spectrometry (REMPI-TOF-MS): a robust tool for chassis dynamometer testing.

PubMed

Adam, T W; Clairotte, M; Streibel, T; Elsasser, M; Pommeres, A; Manfredi, U; Carriero, M; Martini, G; Sklorz, M; Krasenbrink, A; Astorga, C; Zimmermann, R

2012-07-01

Resonance-enhanced multiphoton ionisation time-of-flight mass spectrometry (REMPI-TOF-MS) is a robust method for real-time analysis of monocyclic and polycyclic aromatic hydrocarbons in complex emissions. A mobile system has been developed which enables direct analysis on site. In this paper, we utilize a multicomponent calibration scheme based on the analytes' photo-ionisation cross-sections relative to a calibrated species. This allows semi-quantification of a great number of components by only calibrating one compound of choice, here toluene. The cross-sections were determined by injecting nebulised solutions of aromatic compounds into the TOF-MS ion source with the help of a HPLC pump. Then, REMPI-TOF-MS was implemented at various chassis dynamometers and test cells and the exhaust of the following vehicles and engines investigated: a compression ignition light-duty (LD) passenger car, a compression ignition LD van, two spark ignition LD passenger cars, 2 two-stroke mopeds, and a two-stroke engine of a string gas trimmer. The quantitative time profiles of benzene are shown. The results indicate that two-stroke engines are a significant source for toxic and cancerogenic compounds. Air pollution and health effects caused by gardening equipment might still be underestimated.

Solvent Separating Secondary Metabolites Directly from Biosynthetic Tissue for Surface-Assisted Laser Desorption Ionisation Mass Spectrometry

PubMed Central

Rudd, David; Benkendorff, Kirsten; Voelcker, Nicolas H.

2015-01-01

Marine bioactive metabolites are often heterogeneously expressed in tissues both spatially and over time. Therefore, traditional solvent extraction methods benefit from an understanding of the in situ sites of biosynthesis and storage to deal with heterogeneity and maximize yield. Recently, surface-assisted mass spectrometry (MS) methods namely nanostructure-assisted laser desorption ionisation (NALDI) and desorption ionisation on porous silicon (DIOS) surfaces have been developed to enable the direct detection of low molecular weight metabolites. Since direct tissue NALDI-MS or DIOS-MS produce complex spectra due to the wide variety of other metabolites and fragments present in the low mass range, we report here the use of “on surface” solvent separation directly from mollusc tissue onto nanostructured surfaces for MS analysis, as a mechanism for simplifying data annotation and detecting possible artefacts from compound delocalization during the preparative steps. Water, ethanol, chloroform and hexane selectively extracted a range of choline esters, brominated indoles and lipids from Dicathais orbita hypobranchial tissue imprints. These compounds could be quantified on the nanostructured surfaces by comparison to standard curves generated from the pure compounds. Surface-assisted MS could have broad utility for detecting a broad range of secondary metabolites in complex marine tissue samples. PMID:25786067

A centre-triggered magnesium fuelled cathodic arc thruster uses sublimation to deliver a record high specific impulse

NASA Astrophysics Data System (ADS)

Neumann, Patrick R. C.; Bilek, Marcela; McKenzie, David R.

2016-08-01

The cathodic arc is a high current, low voltage discharge that operates in vacuum and provides a stream of highly ionised plasma from a solid conducting cathode. The high ion velocities, together with the high ionisation fraction and the quasineutrality of the exhaust stream, make the cathodic arc an attractive plasma source for spacecraft propulsion applications. The specific impulse of the cathodic arc thruster is substantially increased when the emission of neutral species is reduced. Here, we demonstrate a reduction of neutral emission by exploiting sublimation in cathode spots and enhanced ionisation of the plasma in short, high-current pulses. This, combined with the enhanced directionality due to the efficient erosion profiles created by centre-triggering, substantially increases the specific impulse. We present experimentally measured specific impulses and jet power efficiencies for titanium and magnesium fuels. Our Mg fuelled source provides the highest reported specific impulse for a gridless ion thruster and is competitive with all flight rated ion thrusters. We present a model based on cathode sublimation and melting at the cathodic arc spot explaining the outstanding performance of the Mg fuelled source. A further significant advantage of an Mg-fuelled thruster is the abundance of Mg in asteroidal material and in space junk, providing an opportunity for utilising these resources in space.

The X-ray spectra of the black hole candidate 4U 1630-47 during its 2012 outburst

NASA Astrophysics Data System (ADS)

Wang, Y.; Mendez, M.

2015-07-01

Diaz Trigo et al. (2013) reported the detection of three Doppler-shifted emission lines arising from baryonic matter in the jet of 4U 1630-47 during its 2012 outburst. Here we propose an alternative model that, without the need of the lines from the jet, and with less free parameters, fits the same data equally well. In our model we allow the abundances of S and Fe in the interstellar medium to vary; the best-fitting values are, respectively, 1.5 and 0.5 times solar, consistent with recent findings. Our model also includes a moderately broad emission line and a narrow absorption line due to highly ionised Fe. (These lines are also present in the other observations of this source during the 2012 outburst.) This model fits well all the XMM-Newton observations of this source, both in burst and timing mode. In addition to the components that we fitted to the burst-mode data, the timing-mode observations show several absorption features due to ionised Fe and Ni, which reveal the presence of a highly-ionised absorber close to the source. Our model also fits well the burst-mode data using the most recent calibration files (March 2015), whereas the model from Diaz Trigo et al. does not.

A simple model for molecular hydrogen chemistry coupled to radiation hydrodynamics

NASA Astrophysics Data System (ADS)

Nickerson, Sarah; Teyssier, Romain; Rosdahl, Joakim

2018-06-01

We introduce non-equilibrium molecular hydrogen chemistry into the radiation-hydrodynamics code RAMSES-RT. This is an adaptive mesh refinement grid code with radiation hydrodynamics that couples the thermal chemistry of hydrogen and helium to moment-based radiative transfer with the Eddington tensor closure model. The H2 physics that we include are formation on dust grains, gas phase formation, formation by three-body collisions, collisional destruction, photodissociation, photoionisation, cosmic ray ionisation and self-shielding. In particular, we implement the first model for H2 self-shielding that is tied locally to moment-based radiative transfer by enhancing photo-destruction. This self-shielding from Lyman-Werner line overlap is critical to H2 formation and gas cooling. We can now track the non-equilibrium evolution of molecular, atomic, and ionised hydrogen species with their corresponding dissociating and ionising photon groups. Over a series of tests we show that our model works well compared to specialised photodissociation region codes. We successfully reproduce the transition depth between molecular and atomic hydrogen, molecular cooling of the gas, and a realistic Strömgren sphere embedded in a molecular medium. In this paper we focus on test cases to demonstrate the validity of our model on small scales. Our ultimate goal is to implement this in large-scale galactic simulations.

Impact ionisation mass spectrometry of platinum-coated olivine and magnesite-dominated cosmic dust analogues

NASA Astrophysics Data System (ADS)

Hillier, Jon K.; Sternovsky, Z.; Kempf, S.; Trieloff, M.; Guglielmino, M.; Postberg, F.; Price, M. C.

2018-07-01

Impact ionisation mass spectrometry enables the composition of cosmic dust grains to be determined in situ by spacecraft-based instrumentation. The proportion of molecular ions in the impact plasma is a function of the impact velocity, making laboratory calibration vital for the interpretation of the mass spectra, particularly at the low velocities typical of lunar or asteroid encounters. Here we present an analysis of laboratory impact ionisation mass spectra from primarily low (<15 km s-1) velocity impacts of both olivine and magnesite-dominated particles onto the SUrface Dust Mass Analyzer (SUDA) laboratory mass spectrometer. The cation mass spectra show characteristic peaks due to their constituent elements, with Mg, Al, Si, C, Ca, O and Fe frequently present. Contaminant species from the conductive coating process (B, Na, K, C, Pt) also occur, at varying frequencies. Possible saponite or talc inclusions in the magnesite particles are revealed by the presence of Si, Fe, Ca and Al in the magnesite mass spectra. Magnesium is clearly present at the lowest impact velocities (3 km s-1), at which alkali metals were presumed to dominate. Peaks attributed to very minor amounts of water or hydroxyl present in the grains are also seen at low velocities in both cation and anion mass spectra, demonstrating the feasibility of impact ionisation mass spectrometry in identifying hydrated or hydrous minerals, during very low velocity encounters or with very low abundances of water or hydroxy groups, in the impinging grains. Velocity thresholds for the reliable identification of the major elements within the magnesite and olivine cation spectra are presented. Additionally, relative sensitivity factors for Mg (5.1), Fe (1.5) and O (0.6) with respect to Si, in the olivine particles, at impact speeds >19 km s-1, were found to be very similar to those previously determined for orthopyroxene-dominated particles, despite different target and projectile materials. This confirms that quantitative analyses of mineral dust grain composition in space is viable despite initially poorly-constrained mineralogy.

Comprehensive chemical comparison of fuel composition and aerosol particles emitted from a ship diesel engine by gas chromatography atmospheric pressure chemical ionisation ultra-high resolution mass spectrometry with improved data processing routines.

PubMed

Rüger, Christopher P; Schwemer, Theo; Sklorz, Martin; O'Connor, Peter B; Barrow, Mark P; Zimmermann, Ralf

2017-02-01

The analysis of petrochemical materials and particulate matter originating from combustion sources remains a challenging task for instrumental analytical techniques. A detailed chemical characterisation is essential for addressing health and environmental effects. Sophisticated instrumentation, such as mass spectrometry coupled with chromatographic separation, is capable of a comprehensive characterisation, but needs advanced data processing methods. In this study, we present an improved data processing routine for the mass chromatogram obtained from gas chromatography hyphenated to atmospheric pressure chemical ionisation and ultra high resolution mass spectrometry. The focus of the investigation was the primary combustion aerosol samples, i.e. particulate matter extracts, as well as the corresponding fossil fuels fed to the engine. We demonstrate that utilisation of the entire transient and chromatographic information results in advantages including minimisation of ionisation artefacts and a reliable peak assignment. A comprehensive comparison of the aerosol and the feed fuel was performed by applying intensity weighted average values, compound class distribution and principle component analysis. Certain differences between the aerosol generated with the two feed fuels, diesel fuel and heavy fuel oil, as well as between the aerosol and the feed were revealed. For the aerosol from heavy fuel oil, oxidised species from the CHN and CHS class precursors of the feed were predominant, whereas the CHO x class is predominant in the combustion aerosol from light fuel oil. Furthermore, the complexity of the aerosol increases significantly compared to the feed and incorporating a higher chemical space. Coupling of atmospheric pressure chemical ionisation to gas chromatography was found to be a useful additional approach for characterisation of a combustion aerosol, especially with an automated utilisation of the information from the ultra-high resolution mass spectrometer and the chromatographic separation.

AGN feedback on molecular gas reservoirs in quasars at z 2.4

NASA Astrophysics Data System (ADS)

Carniani, S.; Marconi, A.; Maiolino, R.; Feruglio, C.; Brusa, M.; Cresci, G.; Cano-Díaz, M.; Cicone, C.; Balmaverde, B.; Fiore, F.; Ferrara, A.; Gallerani, S.; La Franca, F.; Mainieri, V.; Mannucci, F.; Netzer, H.; Piconcelli, E.; Sani, E.; Schneider, R.; Shemmer, O.; Testi, L.

2017-09-01

We present new ALMA observations aimed at mapping molecular gas reservoirs through the CO(3-2) transition in three quasars at z ≃ 2.4, LBQS 0109+0213, 2QZ J002830.4-281706, and [HB89] 0329-385. Previous [Oiii]λ5007 observations of these quasars showed evidence for ionised outflows quenching star formation in their host galaxies. Systemic CO(3-2) emission has been detected only in one quasar, LBQS 0109+0213, where the CO(3-2) emission is spatially anti-correlated with the ionised outflow, suggesting that most of the molecular gas may have been dispersed or heated in the region swept by the outflow. In all three sources, including the one detected in CO, our constraints on the molecular gas mass indicate a significantly reduced reservoir compared to main-sequence galaxies at the same redshift, supporting a negative feedback scenario. In the quasar 2QZ J002830.4-281706, we tentatively detect an emission line blob blue-shifted by v - 2000 km s-1 with respect to the galaxy systemic velocity and spatially offset by 0.2'' (1.7 kpc) with respect to the ALMA continuum peak. Interestingly, such emission feature is coincident in both velocity and space with the ionised outflow as seen in [Oiii]λ5007. This tentative detection must be confirmed with deeper observations but, if real, it could represent the molecular counterpart of the ionised gas outflow driven by the Active Galactic Nucleus (AGN). Finally, in all ALMA maps we detect the presence of serendipitous line emitters within a projected distance 160 kpc from the quasars. By identifying these features with the CO(3-2) transition, we find that the serendipitous line emitters would be located within | Δv | < 500 km s-1 from the quasars, hence suggesting an overdensity of galaxies in two out of three quasars.

Comparison of the effect of soft-core potentials and Coulombic potentials on bremsstrahlung during laser matter interaction

NASA Astrophysics Data System (ADS)

Pandit, Rishi R.; Becker, Valerie R.; Barrington, Kasey; Thurston, Jeremy; Ramunno, Lora; Ackad, Edward

2018-04-01

An intense, short laser pulse incident on rare-gas clusters can produce nano-plasmas containing energetic electrons. As these electrons undergo scattering, from both phonons and ions, they emit bremsstrahlung radiation. Here, we compare a theory of bremsstrahlung emission appropriate for the interaction of intense lasers with matter using soft-core potentials and Coulombic potentials. A new scaling for the radiation cross-section and the radiated power via bremsstrahlung is derived for a soft-core potential (which depends on the potential depth) and compared with the Coulomb potential. Calculations using the new scaling are performed for electrons in vacuum ultraviolet, infrared and mid-infrared laser pulses. The radiation cross-section and the radiation power via bremsstrahlung are found to increase rapidly with increases in the potential depth of up to around 200 eV and then become mostly saturated for larger depths while remaining constant for the Coulomb potential. In both cases, the radiation cross-section and the radiation power of bremsstrahlung decrease with increases in the laser wavelength. The ratio of the scattering amplitude for the soft-core potential and that for the Coulombic potential decreases exponentially with an increase in momentum transfer. The bremsstrahlung emission by electrons in plasmas may provide a broadband light source for diagnostics.

Demonstration of Efficient Core Heating of Magnetized Fast Ignition in FIREX project

NASA Astrophysics Data System (ADS)

Johzaki, Tomoyuki

2017-10-01

Extensive theoretical and experimental research in the FIREX ``I project over the past decade revealed that the large angular divergence of the laser generated electron beam is one of the most critical problems inhibiting efficient core heating in electron-driven fast ignition. To solve this problem, beam guiding using externally applied kilo-tesla class magnetic field was proposed, and its feasibility has recently been numerically demonstrated. In 2016, integrated experiments at ILE Osaka University demonstrated core heating efficiencies reaching > 5 % and heated core temperatures of 1.7 keV. In these experiments, a kilo-tesla class magnetic field was applied to a cone-attached Cu(II) oleate spherical solid target by using a laser-driven capacitor-coil. The target was then imploded by G-XII laser and heated by the PW-class LFEX laser. The heating efficiency was evaluated by measuring the number of Cu-K- α photons emitted. The heated core temperature was estimated by the X-ray intensity ratio of Cu Li-like and He-like emission lines. To understand the detailed dynamics of the core heating process, we carried out integrated simulations using the FI3 code system. Effects of magnetic fields on the implosion and electron beam transport, detailed core heating dynamics, and the resultant heating efficiency and core temperature will be presented. I will also discuss the prospect for an ignition-scale design of magnetized fast ignition using a solid ball target. This work is partially supported by JSPA KAKENHI Grant Number JP16H02245, JP26400532, JP15K21767, JP26400532, JP16K05638 and is performed with the support and the auspices of the NIFS Collaboration Research program (NIFS12KUGK057, NIFS15KUGK087).

Synthesis of parallel and antiparallel core-shell triangular nanoparticles

NASA Astrophysics Data System (ADS)

Bhattacharjee, Gourab; Satpati, Biswarup

2018-04-01

Core-shell triangular nanoparticles were synthesized by seed mediated growth. Using triangular gold (Au) nanoparticle as template, we have grown silver (Ag) shellto get core-shell nanoparticle. Here by changing the chemistry we have grown two types of core-shell structures where core and shell is having same symmetry and also having opposite symmetry. Both core and core-shell nanoparticles were characterized using transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDX) to know the crystal structure and composition of these synthesized core-shell nanoparticles. From diffraction pattern analysis and energy filtered TEM (EFTEM) we have confirmed the crystal facet in core is responsible for such two dimensional growth of core-shell nanostructures.

Improved cross-calibration of Thomson scattering and electron cyclotron emission with ECH on DIII-D

DOE PAGES

Brookman, M. W.; Austin, M. E.; McLean, A. G.; ...

2016-08-08

Thomson scattering (TS) produces n e profiles from measurement of scattered laser beam intensity. In the case of Rayleigh scattering, it provides a first calibration of the relation n e / ITS, which depends on many factors (e.g. laser alignment and power, optics, and measurement systems). On DIII-D, the n e calibration is adjusted for each laser and optic path against an absolute n e measurement from a density-driven cutoff on the 48 channel 2nd harmonic X-mode electron cyclotron emission (ECE) system. This method has been used to calibrate Thompson densities from the edge to near the core (r/a >more » 0.15). Application of core electron cyclotron heating improves the quality of cutoff and depth of its penetration into the core. ECH also changes underlying MHD activity. Furthermore, on the removal of ECH power, cutoff penetrates in from the edge to the core and channels fall successively and smoothly into cutoff. This improves the quality of the TS n e calibration while minimizing wall loading.« less

High resolution photoemission investigation: The oxidation of W

NASA Astrophysics Data System (ADS)

Morar, J. F.; Himpsel, F. J.; Hughes, G. J.; Jordan, J. L.; McFeely, F. R.; Hollinge, G.

High resolution photoemission measurements of surface oxide layers on tungsten has revealed a set of well resolved core level shifts characteristic of individual metal oxidation states. Measurement and analysis of this type of data can provide specific and quantitative chemical information about surface oxides. The formation of bonds between transition metals and strongly electronegative elements such as oxygen and fluorine results in charge transfer with the effect of shifting the metal core electron binding energies. The magnitude of such shifts depends primarily on two factors; the amount of charge transfer and the screening ability of the metals electrons. The size of core-level shifts tend to increase with additional charge transfer and be decreased by screening. In the case of tungsten the amount of screening should be a function of oxygen content since the oxygen ties up free electrons which are effective at screening. A continuous change in the tungsten core level shifts is observed with increasing oxygen content, i.e., as the screening changes from that characteristic of a metal screened to that characteristic of an insulator unscreened.

Investigation of magnetic and magneto-transport properties of ferromagnetic-charge ordered core-shell nanostructures

NASA Astrophysics Data System (ADS)

Das, Kalipada

2017-10-01

In our present study, we address in detail the magnetic and magneto-transport properties of ferromagnetic-charge ordered core-shell nanostructures. In these core-shell nanostructures, well-known half metallic La0.67Sr0.33MnO3 nanoparticles (average particle size, ˜20 nm) are wrapped by the charge ordered antiferromagnetic Pr0.67Ca0.33MnO3 (PCMO) matrix. The intrinsic properties of PCMO markedly modify it into such a core-shell form. The robustness of the PCMO matrix becomes fragile and melts at an external magnetic field (H) of ˜20 kOe. The analysis of magneto-transport data indicates the systematic reduction of the electron-electron and electron-magnon interactions in the presence of an external magnetic field in these nanostructures. The pronounced training effect appears in this phase separated compound, which was analyzed by considering the second order tunneling through the grain boundaries of the nanostructures. Additionally, the analysis of low field magnetoconductance data supports the second order tunneling and shows the close value of the universal limit (˜1.33).

Hierarchy effect on electronic structure and core-to-valence transitions in bone tissue: perspectives in medical nanodiagnostics of mineralized bone

NASA Astrophysics Data System (ADS)

Samoilenko, Dmitrii O.; Avrunin, Alexander S.; Pavlychev, Andrey A.

2017-06-01

Electronic structure and core-to-valence transitions in bone tissue are examined in the framework of the morphological 3DSL model that takes into account (i) structural and functional organization of the skeleton in the normal and pathological conditions and (ii) peculiarities of electron wave propagation in a three-dimensional superlattice of "black-nanocrystallites-in-muddy-waters". Our focus is on the HAP-to-bone red shifts of core-to-valence transitions near Ca and P 2p and O 1s edges in single-crystal hydroxyapatite (HAP) Ca10(PO4)6(OH)2. The origin of the HAP-to-bone shift is discussed and the extended comparative analysis of the experimental data is performed. The detected spectral shift is assigned with the effect of hierarchical organization of bone tissue. This hierarchy effect on the core-to-valence transition energies is regarded as a promising tool for medical imaging and perspective pathway for nanodiagnostics of mineralized bone. Contribution to the Topical Issue "Dynamics of Systems at the Nanoscale", edited by Andrey Solov'yov and Andrei Korol.

Improved cross-calibration of Thomson scattering and electron cyclotron emission with ECH on DIII-D

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

Brookman, M. W., E-mail: brookmanmw@fusion.gat.com; Austin, M. E.; McLean, A. G.

2016-11-15

Thomson scattering produces n{sub e} profiles from measurement of scattered laser beam intensity. Rayleigh scattering provides a first calibration of the relation n{sub e} ∝ I{sub TS}, which depends on many factors (e.g., laser alignment and power, optics, and measurement systems). On DIII-D, the n{sub e} calibration is adjusted against an absolute n{sub e} from the density-driven cutoff of the 48 channel 2nd harmonic X-mode electron cyclotron emission system. This method has been used to calibrate Thomson n{sub e} from the edge to near the core (r/a > 0.15). Application of core electron cyclotron heating improves the quality of cutoffmore » and depth of its penetration into the core, and also changes underlying MHD activity, minimizing crashes which confound calibration. Less fueling is needed as “ECH pump-out” generates a plasma ready to take up gas. On removal of gyrotron power, cutoff penetrates into the core as channels fall successively and smoothly into cutoff.« less

Photovoltaic devices having nanoparticle dipoles for enhanced performance and methods for making same

DOEpatents

Williams, George M [Portland, OR; Schut, David M [Philomath, OR; Stonas, Andreas [Albany, OR

2011-08-09

A photovoltaic device has nanoparticles sandwiched between a conductive substrate and a charge selective transport layer. Each of the nanoparticles has a ligand shell attached to the nanoparticle core. A first type of ligand is electron rich and attached to one hemisphere of the nanoparticle core, while a second type of ligand is electron poor and attached to an opposite hemisphere of the core. Consequently, the ligand shell induces an electric field within the nanoparticle, enhancing the photovoltaic effect. The arrangement of ligands types on different sides of the nanoparticle is obtained by a process involving ligand substitution after adhering the nanoparticles to the conductive substrate.

Parenchymatous cell division characterizes the fungal cortex of some common foliose lichens.

PubMed

Sanders, William B; de Los Ríos, Asunción

2017-02-01

Lichen-forming fungi produce diverse vegetative tissues, some closely resembling those of plants. Yet it has been repeatedly affirmed that none is a true parenchyma, in which cellular compartments are subdivided from all adjacent neighbors by cross walls adjoining older cross walls. Using transmission electron microscopy (TEM), we tested this assumption by examining patterns of septum formation in the parenchyma-like cortex of three lichens of different phylogenetic affinities: Sticta canariensis , Leptogium cyanescens , and Endocarpon pusillum . In the cortex of all three lichens, new septa adjoined perpendicularly or obliquely to previous septa. Septal walls possessed an electron-transparent core (median) layer covered on both sides by layers of intermediate electron density. At septal junctures, the core layer of the newer septum was not continuous with that of the older septum. Amorphous, electron-dense material often became deposited in the core region of older septal walls, and the septum gradually delaminated along its median into what could then be recognized as the distinct walls of neighboring cells. However, cells maintained continuity at pores, where adjacent remnants of the electron-transparent core layer suggested septal partition rather than secondary establishment of a lateral wall connection via anastomosis. Although fungal tissues first arise by the coalescence of filaments early in lichen ontogeny, the mature cortical tissues of some lichens are comparable to true parenchyma in the unrestricted orientation of their septal cross walls and the resulting ontogenetic relationship among neighboring cell compartments. © 2017 Botanical Society of America.

Polaronic effects on the off-center donor impurity in AlAs/GaAs/SiO2 spherical core/shell quantum dots

NASA Astrophysics Data System (ADS)

El Haouari, M.; Feddi, E.; Dujardin, F.; Restrepo, R. L.; Mora-Ramos, M. E.; Duque, C. A.

2017-11-01

The ground state of a conduction electron coupled to an off-center impurity donor in a AlAS/GaAs spherical core/shell quantum dot is investigated theoretically. The image-charge effect and the influence of the electron-polar-LO-phonon interaction are considered. The electron-impurity binding energy is calculated via a variational procedure and is reported both as a function of the shell width and of the radial position of the donor atom. The polaronic effects on this quantity are particularly discussed.

In situ formation and characterisation of singly ionised atomic europium in rare gas matrices—Luminescence spectroscopy and MP2 calculations

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

Byrne, Owen; Davis, Barry; McCaffrey, John G., E-mail: john.mccaffrey@nuim.ie

2015-02-07

Irradiation of atomic europium isolated in the solid rare gases, with low intensity laser excitation of the y{sup 8}P←a{sup 8}S resonance transition at ca. 465 nm, is found to produce singly charged europium cations (Eu{sup +}) in large amounts in xenon and in smaller amounts in argon. Confirmation of the formation of matrix-isolated Eu{sup +} is obtained from characteristic absorption bands in the UV and in the visible spectral regions. The luminescence produced with excitation of the cation bands is presented in greatest detail for Eu/Xe and assigned. Excitation of the 4f{sup 7}({sup 8}S{sub 7/2})6p{sub 3/2} absorption bands of Eu{supmore » +} between 390 and 410 nm produces emission which is quite distinct from that resulting from excitation of the 4f{sup 7}({sup 8}S{sub 7/2})6p{sub 1/2} absorption (430 to 450 nm) features. The latter consists of narrow, resolved emission bands with Stokes shifts ten times smaller than the former. The observed spectral differences are discussed in relation to the different spatial symmetries of the p{sub 3/2} and p{sub 1/2} orbitals in these j-j coupled (7/2, 3/2){sub J} and the (7/2, 1/2){sub J} levels. Møller-Plesset calculations are conducted to obtain the molecular parameters of the neutral Eu-RG and cationic Eu{sup +}-RG diatomics (RG = Ar, Kr, Xe). From the short bond lengths and the strong binding energies obtained for the Eu{sup +}-RG species, these values suggest the isolation of the ion in small, possibly interstitial sites especially in xenon. In contrast, but consistent with previous work [O. Byrne and J. G. McCaffrey, J. Chem. Phys. 134, 124501 (2011)], the interaction potentials calculated herein for the Eu-RG diatomics suggest that the neutral Eu atom occupies tetra-vacancy (tv) and hexa-vacancy (hv) sites in the solid rare gas hosts. Possible reasons for the facile production of Eu{sup +} in the solid rare gases are discussed. The mechanism proposed is that atomic europium is also acting as an electron acceptor, providing a temporary trap for the ionised electron in the matrices.« less

Ab initio effective core potentials including relativistic effects and their application to the electronic structure calculations of heavy atoms and molecules

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

Lee, Y.S.

1977-11-01

The effects of the 4f shell of electrons and the relativity of valence electrons are compared. The effect of 4f shell (lanthanide contraction) is estimated from the numerical Hartree-Fock (HF) calculations of pseudo-atoms corresponding to Hf, Re, Au, Hg, Tl, Pb and Bi without 4f electrons and with atomic numbers reduced by 14. The relativistic effect estimated from the numerical Dirac-Hartree-Fock (DHF) calculations of those atoms is comparable in the magnitude with that of the 4f shell of electrons. Both are larger for 6s than for 5d or 6p electrons. The various relativistic effects on valence electrons are discussed inmore » detail to determine the proper level of the approximation for the valence electron calculations of systems with heavy elements. An effective core potential system has been developed for heavy atoms in which relativistic effects are included in the effective potentials.« less

Time-resolved electronic and optical properties of a thiolate-protected Au38 nanocluster

NASA Astrophysics Data System (ADS)

Meng, Qingguo; May, Stanley P.; Berry, Mary T.; Kilin, Dmitri S.

2015-02-01

Density functional theory and density matrix theory are employed to investigate the time-dependent optical and electronic properties of an Au14 nanocluster protected by six cyclic thiolate ligands, Au4(SCH3)4. The Au14[Au4(SCH3)4]6 nanocluster, i.e. Au38(SCH3)24, is equivalent to a truncated-octahedral face-centred cubic Au38 core coated by a monolayer of 24 methylthiol molecules. The electronic and optical properties, such as density of states, linear absorption spectra, nonradiative nonadiabatic dissipative electronic dynamics and radiative emission spectra were calculated and compared for the core Au14 and thiolate-protected Au38(SCH3)24 nanocluster. The main observation from computed photoluminescence for both models is a mechanism of radiative emission. Specifically, a strong contribution to light emission intensity originates from intraband transitions inside the conduction band (CB) in addition to interband LUMO → HOMO transition (HOMO: highest occupied molecular orbital and LUMO: lowest unoccupied molecular orbital). Such comparison clarifies the contributions from Au core and methylthiol ligands to the electronic and optical properties of the Au38(SCH3)24 nanocluster.

Interfacial chemical and electronic structure of cobalt deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene (C8-BTBT)

NASA Astrophysics Data System (ADS)

Zhu, Menglong; Lyu, Lu; Niu, Dongmei; Zhang, Hong; Zhang, Yuhe; Liu, Peng; Gao, Yongli

2017-04-01

Interfacial chemical and electronic structure of Co deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene(C8-BTBT) was investigated by ultraviolet photoemission spectroscopy (UPS) and X-ray photoemission spectroscopy (XPS). Chemical reaction of cobalt with C8-BTBT at the interface is confirmed by a new component of S 2s peak which is electron-rich compared to the original one of C8-BTBT molecules. Intensity evolution of the core level in XPS indicates that the adsorption of Co atoms is mainly at the surface without deeper diffusion into C8-BTBT layer. Initial deposition of Co atoms downward shifts the core levels of C8-BTBT by electron transfer from isolated Co atoms or clusters to the C8-BTBT. Further deposition of Co upward shifts the core levels of C8-BTBT because of the neutralization of the thicker metal Co film. Our investigation suggests an inert buffer layer inserted to protect organic layer from reaction or decomposition and to lower the carrier barriers for both the electron and hole to improve the performance of Co/C8-BTBT-based OFETs.

Electromagnetic Electron Cyclotron Instability in the Solar Wind

NASA Astrophysics Data System (ADS)

Lazar, M.; Yoon, P. H.; López, R. A.; Moya, P. S.

2018-01-01

The abundant reports on the existence of electromagnetic high-frequency fluctuations in space plasmas have increased the expectations that theoretical modeling may help understand their origins and implications (e.g., kinetic instabilities and dissipation). This paper presents an extended quasi-linear approach of the electromagnetic electron cyclotron instability in conditions typical for the solar wind, where the anisotropic electrons (T⊥>T∥) exhibit a dual distribution combining a bi-Maxwellian core and bi-Kappa halo. Involving both the core and halo populations, the instability is triggered by the cumulative effects of these components, mainly depending of their anisotropies. The instability is not very sensitive to the shape of halo distribution function conditioned in this case by the power index κ. This result seems to be a direct consequence of the low density of electron halo, which is assumed more dilute than the core component in conformity with the observations in the ecliptic. Quasi-linear time evolutions predicted by the theory are confirmed by the particle-in-cell simulations, which also suggest possible explanations for the inherent differences determined by theoretical constraints. These results provide premises for an advanced methodology to characterize, realistically, the electromagnetic electron cyclotron instability and its implication in the solar wind.

Time-resolved measurement of intramolecular photoinduced electron transfer processes in perylene diimides (Conference Presentation)

NASA Astrophysics Data System (ADS)

Döring, Robin Carl; Baal, Eduard; Sundermeyer, Jörg; Chatterjee, Sangam

2017-02-01

Perylene-3,4,9,10-tetracarboxylic acid (PTCDA) and respective derivatives (e.g. perylene diimide - PDI) are widely used as dyes but also for device applications such as organic field effect transistors or in organic photovoltaics. Due to their intrinsically high quantum efficiencies they are also used as spectroscopic standards. One major drawback of these materials is their low solubility in organic solvents which can be addressed by long alkyl substitutions. When introducing a tertiary amine into the molecule a mechanism known as photoinduced electron transfer (PET) can occur. Here, following an optically excited HOMO-LUMO transition of the core, an electron from the electron lone pair of the amine is transferred to the HOMO of the perylene core. Hence, radiative recombination is disallowed and photoluminescence effectively quenched. Here, we perform a systematic study of the distance dependence of the PET by introducing alkyle groups as spacer units between PDI core and the tertiary amine. Dynamics of the PET are extracted from ultrafast time-resolved photoluminescence measurement data. A rate equation model, simulating a three level system, reveals rate constant of the back electron transfer, otherwise not accessible with our experimental methods. Assuming a Marcus model of electron transfer, electronic coupling strength between the electronic states involved in the respective transitions can be calculated. In addition to the distance dependence, the effects of protonation and methylation of the the tertiary amine units are studied.

Magnetic monopole search with the MoEDAL test trapping detector

NASA Astrophysics Data System (ADS)

Katre, Akshay

2016-11-01

IMoEDAL is designed to search for monopoles produced in high-energy Large Hadron Collider (LHC) collisions, based on two complementary techniques: nucleartrack detectors for high-ionisation signatures and other highly ionising avatars of new physics, and trapping volumes for direct magnetic charge measurements with a superconducting magnetometer. The MoEDAL test trapping detector array deployed in 2012, consisting of over 600 aluminium samples, was analysed and found to be consistent with zero trapped magnetic charge. Stopping acceptances are obtained from a simulation of monopole propagation in matter for a range of charges and masses, allowing to set modelindependent and model-dependent limits on monopole production cross sections. Multiples of the fundamental Dirac magnetic charge are probed for the first time at the LHC.

End-group characterisation of poly(propylene glycol)s by means of electrospray ionisation-tandem mass spectrometry (ESI-MS/MS).

PubMed

Jackson, Anthony T; Slade, Susan E; Thalassinos, Konstantinos; Scrivens, James H

2008-10-01

The end-group functionalisation of a series of poly(propylene glycol)s has been characterised by means of electrospray ionisation-tandem mass spectrometry (ESI-MS/MS). A series of peaks with mass-to-charge ratios that are close to that of the precursor ion were used to generate information on the end-group functionalities of the poly(propylene glycol)s. Fragment ions resulting from losses of both of the end groups were noted from some of the samples. An example is presented of how software can be used to significantly reduce the length of time involved in data interpretation (which is typically the most time-consuming part of the analysis).

Surface analysis using a new plasma assisted desorption/ionisation source for mass spectrometry in ambient air

NASA Astrophysics Data System (ADS)

Bowfield, A.; Barrett, D. A.; Alexander, M. R.; Ortori, C. A.; Rutten, F. M.; Salter, T. L.; Gilmore, I. S.; Bradley, J. W.

2012-06-01

The authors report on a modified micro-plasma assisted desorption/ionisation (PADI) device which creates plasma through the breakdown of ambient air rather than utilising an independent noble gas flow. This new micro-PADI device is used as an ion source for ambient mass spectrometry to analyse species released from the surfaces of polytetrafluoroethylene, and generic ibuprofen and paracetamol tablets through remote activation of the surface by the plasma. The mass spectra from these surfaces compare favourably to those produced by a PADI device constructed using an earlier design and confirm that the new ion source is an effective device which can be used to achieve ambient mass spectrometry with improved spatial resolution.

SUPRATHERMAL SOLAR WIND ELECTRONS AND LANGMUIR TURBULENCE

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

Kim, Sunjung; Yoon, Peter H.; Choe, G. S.

2016-09-01

The steady-state model recently put forth for the solar wind electron velocity distribution function during quiet time conditions, was originally composed of three population electrons (core, halo, and superhalo) with the core remaining nonresonant with any plasma waves while the halo and superhalo separately maintained steady-state resonance with whistler- and Langmuir-frequency range fluctuations, respectively. However, a recent paper demonstrates that whistler-range fluctuations in fact have no significant contribution. The present paper represents a consummation of the model in that a self-consistent model of the suprathermal electron population, which encompasses both the halo and the superhalo, is constructed solely on themore » basis of the Langmuir fluctuation spectrum. Numerical solutions to steady-state particle and wave kinetic equations are obtained on the basis of an initial trial electron distribution and Langmuir wave spectrum. Such a finding offers a self-consistent explanation for the observed steady-state electron distribution in the solar wind.« less

Attosecond Electron Processes in Materials: Excitons, Plasmons, and Charge Dynamics

DTIC Science & Technology

2015-05-19

focused using a f=1.5 m lens into a 250 micron hollow core fiber (HCF) filled with neon gas at atmospheric pressure to stretch the pulse spectrum from... insulator to metal transition. Introduction: The goal of this work was to understand the generation, transport, and manipulation of electronic charge...chemically sensitive probe pulse utilizing specific core level transitions in atoms that are part of a material under study. The measurements follow

STRETCHY ELECTRONICS. Hierarchically buckled sheath-core fibers for superelastic electronics, sensors, and muscles.

PubMed

Liu, Z F; Fang, S; Moura, F A; Ding, J N; Jiang, N; Di, J; Zhang, M; Lepró, X; Galvão, D S; Haines, C S; Yuan, N Y; Yin, S G; Lee, D W; Wang, R; Wang, H Y; Lv, W; Dong, C; Zhang, R C; Chen, M J; Yin, Q; Chong, Y T; Zhang, R; Wang, X; Lima, M D; Ovalle-Robles, R; Qian, D; Lu, H; Baughman, R H

2015-07-24

Superelastic conducting fibers with improved properties and functionalities are needed for diverse applications. Here we report the fabrication of highly stretchable (up to 1320%) sheath-core conducting fibers created by wrapping carbon nanotube sheets oriented in the fiber direction on stretched rubber fiber cores. The resulting structure exhibited distinct short- and long-period sheath buckling that occurred reversibly out of phase in the axial and belt directions, enabling a resistance change of less than 5% for a 1000% stretch. By including other rubber and carbon nanotube sheath layers, we demonstrated strain sensors generating an 860% capacitance change and electrically powered torsional muscles operating reversibly by a coupled tension-to-torsion actuation mechanism. Using theory, we quantitatively explain the complementary effects of an increase in muscle length and a large positive Poisson's ratio on torsional actuation and electronic properties. Copyright © 2015, American Association for the Advancement of Science.

Investigation of IRGANOX®1076 as a dosimeter for clinical X-ray, electron and proton beams and its EPR angular response

NASA Astrophysics Data System (ADS)

Smith, Clare L.; Ankers, Elizabeth; Best, Stephen P.; Gagliardi, Frank; Katahira, Kai; Tsunei, Yseu; Tominaga, Takahiro; Geso, Moshi

2017-12-01

The suitability of IRGANOX®1076 in paraffin wax as a near-tissue equivalent radiation dosimeter was investigated for various radiotherapy beam types; kV and MV X-rays, electrons and protons over clinically-relevant doses (2 -20 Gy). The radical formed upon exposure to ionising radiations was measured by Electron Paramagnetic Resonance (EPR) spectroscopy, and the single peak signal obtained for solid solutions of IRGANOX®1076 in wax is attributed to the phenoxyl radical obtained by net loss of H•. Irradiation of solid IRGANOX®1076 gives a doublet consistent with the formation of the phenol cation radical, obtained by electron loss. Solid solutions of IRGANOX®1076 in paraffin wax give a linear dose response for all types of radiations examined, which was energy independent for MV, electron and proton beams, and energy-dependent for kV X-ray irradiation. Reliable dose measurements were obtained with exposures as low as 2 Gy, and comparisons with alanine wax-pellets containing the same amount of dosimeter material (w/w) gave similar responses for all beam types investigated. Post-irradiation measurements (up to 77 days for proton irradiation for samples stored in the dark and at room temperature) indicate good signal stability with minimal signal fading (between 1.6 to 3.8%). Relative to alanine dosimeters, solid solutions of IRGANOX®1076 in wax give EPR signals with better sensitivity at low dose and do not significantly change with the orientation of the sample. Solid solutions of IRGANOX®1076 are ideal for applications in radiotherapy dosimetry for X-rays and charged particles, as IRGANOX®1076 is relatively cheap, can easily and reproducibly prepared in wax and be moulded to different shapes.

A new generation of effective core potentials for correlated calculations

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

Bennett, Michael Chandler; Melton, Cody A.; Annaberdiyev, Abdulgani

Here, we outline ideas on desired properties for a new generation of effective core potentials (ECPs) that will allow valence-only calculations to reach the full potential offered by recent advances in many-body wave function methods. The key improvements include consistent use of correlated methods throughout ECP constructions and improved transferability as required for an accurate description of molecular systems over a range of geometries. The guiding principle is the isospectrality of all-electron and ECP Hamiltonians for a subset of valence states. We illustrate these concepts on a few first- and second-row atoms (B, C, N, O, S), and we obtainmore » higher accuracy in transferability than previous constructions while using semi-local ECPs with a small number of parameters. In addition, the constructed ECPs enable many-body calculations of valence properties with higher (or same) accuracy than their all-electron counterparts with uncorrelated cores. This implies that the ECPs include also some of the impacts of core-core and core-valence correlations on valence properties. The results open further prospects for ECP improvements and refinements.« less

Increasing the applicability of density functional theory. V. X-ray absorption spectra with ionization potential corrected exchange and correlation potentials.

PubMed

Verma, Prakash; Bartlett, Rodney J

2016-07-21

Core excitation energies are computed with time-dependent density functional theory (TD-DFT) using the ionization energy corrected exchange and correlation potential QTP(0,0). QTP(0,0) provides C, N, and O K-edge spectra to about an electron volt. A mean absolute error (MAE) of 0.77 and a maximum error of 2.6 eV is observed for QTP(0,0) for many small molecules. TD-DFT based on QTP (0,0) is then used to describe the core-excitation spectra of the 22 amino acids. TD-DFT with conventional functionals greatly underestimates core excitation energies, largely due to the significant error in the Kohn-Sham occupied eigenvalues. To the contrary, the ionization energy corrected potential, QTP(0,0), provides excellent approximations (MAE of 0.53 eV) for core ionization energies as eigenvalues of the Kohn-Sham equations. As a consequence, core excitation energies are accurately described with QTP(0,0), as are the core ionization energies important in X-ray photoionization spectra or electron spectroscopy for chemical analysis.

First evidence of diffuse ultra-steep-spectrum radio emission surrounding the cool core of a cluster

NASA Astrophysics Data System (ADS)

Savini, F.; Bonafede, A.; Brüggen, M.; van Weeren, R.; Brunetti, G.; Intema, H.; Botteon, A.; Shimwell, T.; Wilber, A.; Rafferty, D.; Giacintucci, S.; Cassano, R.; Cuciti, V.; de Gasperin, F.; Röttgering, H.; Hoeft, M.; White, G.

2018-05-01

Diffuse synchrotron radio emission from cosmic-ray electrons is observed at the center of a number of galaxy clusters. These sources can be classified either as giant radio halos, which occur in merging clusters, or as mini halos, which are found only in cool-core clusters. In this paper, we present the first discovery of a cool-core cluster with an associated mini halo that also shows ultra-steep-spectrum emission extending well beyond the core that resembles radio halo emission. The large-scale component is discovered thanks to LOFAR observations at 144 MHz. We also analyse GMRT observations at 610 MHz to characterise the spectrum of the radio emission. An X-ray analysis reveals that the cluster is slightly disturbed, and we suggest that the steep-spectrum radio emission outside the core could be produced by a minor merger that powers electron re-acceleration without disrupting the cool core. This discovery suggests that, under particular circumstances, both a mini and giant halo could co-exist in a single cluster, opening new perspectives for particle acceleration mechanisms in galaxy clusters.

A new generation of effective core potentials for correlated calculations

DOE PAGES

Bennett, Michael Chandler; Melton, Cody A.; Annaberdiyev, Abdulgani; ...

2017-12-12

Here, we outline ideas on desired properties for a new generation of effective core potentials (ECPs) that will allow valence-only calculations to reach the full potential offered by recent advances in many-body wave function methods. The key improvements include consistent use of correlated methods throughout ECP constructions and improved transferability as required for an accurate description of molecular systems over a range of geometries. The guiding principle is the isospectrality of all-electron and ECP Hamiltonians for a subset of valence states. We illustrate these concepts on a few first- and second-row atoms (B, C, N, O, S), and we obtainmore » higher accuracy in transferability than previous constructions while using semi-local ECPs with a small number of parameters. In addition, the constructed ECPs enable many-body calculations of valence properties with higher (or same) accuracy than their all-electron counterparts with uncorrelated cores. This implies that the ECPs include also some of the impacts of core-core and core-valence correlations on valence properties. The results open further prospects for ECP improvements and refinements.« less

Nutrient resuscitation and growth of starved cells in sandstone cores: a novel approach to enhanced oil recovery. [Klebsiella pneumoniae

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

Lappin-Scott, H.M.; Cusack, F.; Costerton, J.W.

1988-06-01

Klebsiella pneumoniae, which was reduced in size (0.25 by 0.5 ..mu..m) by carbon deprivation, was injected into a series of sandstone cores and subjected to separate treatments. Scanning electron microscopy of 400-mD cores showed these small starved cells in nearly every core section. The cells were a mixture of small rods and cocci with little or no biofilm production. Continuous or dose stimulation with sodium citrate allowed the cells to grow throughout the sandstone and completely plug the length of the core. The resuscitated cells were larger than the starved cells (up to 1.7 ..mu..m) and were encased in glycocalyx.more » Scanning electron microscopic results of resuscitation in situ with half-strength brain heart infusion broth showed that a shallow skin plug of cells formed at the core inlet and that fewer cells were located in the lower sections. Starved cells also penetrated 200-mD cores and were successfully resuscitated in situ with sodium citrate, so that the entire core was plugged. Nutrient resuscitation of injected starved cells to produce full-size cells which grow and block the rock pores may be successfully applied to selective plugging and may effectively increase oil recovery.« less

The Thermal Conductivity of Earth's Core: A Key Geophysical Parameter's Constraints and Uncertainties

NASA Astrophysics Data System (ADS)

Williams, Q.

2018-05-01

The thermal conductivity of iron alloys at high pressures and temperatures is a critical parameter in governing ( a) the present-day heat flow out of Earth's core, ( b) the inferred age of Earth's inner core, and ( c) the thermal evolution of Earth's core and lowermost mantle. It is, however, one of the least well-constrained important geophysical parameters, with current estimates for end-member iron under core-mantle boundary conditions varying by about a factor of 6. Here, the current state of calculations, measurements, and inferences that constrain thermal conductivity at core conditions are reviewed. The applicability of the Wiedemann-Franz law, commonly used to convert electrical resistivity data to thermal conductivity data, is probed: Here, whether the constant of proportionality, the Lorenz number, is constant at extreme conditions is of vital importance. Electron-electron inelastic scattering and increases in Fermi-liquid-like behavior may cause uncertainties in thermal conductivities derived from both first-principles-associated calculations and electrical conductivity measurements. Additional uncertainties include the role of alloying constituents and local magnetic moments of iron in modulating the thermal conductivity. Thus, uncertainties in thermal conductivity remain pervasive, and hence a broad range of core heat flows and inner core ages appear to remain plausible.

Effects of Laser Frequency and Multiple Beams on Hot Electron Generation in Fast Ignition

NASA Astrophysics Data System (ADS)

Royle, Ryan B.

Inertial confinement fusion (ICF) is one approach to harnessing fusion power for the purpose of energy production in which a small deuterium-tritium capsule is imploded to about a thousand times solid density with ultra-intense lasers. In the fast ignition (FI) scheme, a picosecond petawatt laser pulse is used to deposit ˜10 kJ of energy in ˜10 ps into a small hot-spot at the periphery of the compressed core, igniting a fusion burn wave. FI promises a much higher energy gain over the conventional central hot-spot ignition scheme in which ignition is achieved through compression alone. Sufficient energy coupling between ignition laser and implosion core is critical for the feasibility of the FI scheme. Laser-core energy coupling is mediated by hot electrons which absorb laser energy near the critical density and propagate to the dense core, depositing their energy primarily through collisions. The hot electron energy distribution plays a large role in achieving efficient energy coupling since electrons with energy much greater than a few MeV will only deposit a small fraction of their energy into the hot-spot region due to reduced collisional cross section. It is understood that it may be necessary to use the second or third harmonic of the 1.05 mum Nd glass laser to reduce the average hot electron energy closer to the few-MeV range. Also, it is likely that multiple ignition beams will be used to achieve the required intensities. In this study, 2D particle-in-cell simulations are used to examine the effects of frequency doubling and tripling of a 1 mum laser as well as effects of using various dual-beam configurations. While the hot-electron energy spectrum is indeed shifted closer to the few-MeV range for higher frequency beams, the overall energy absorption is reduced, canceling the gain from higher efficiency. For a fixed total laser input energy, we find that the amount of hot electron energy able to be deposited into the core hot-spot is fairly insensitive to the laser configuration used. Our results hint that the more important issue at hand may be divergence and transport of the hot electrons, which tend to spray into 2pi radians due to instabilities and current filamentation present in the laser-plasma interaction region.

Selective isolation of the electron or hole in photocatalysis: ZnO-TiO2 and TiO2-ZnO core-shell structured heterojunction nanofibers via electrospinning and atomic layer deposition.

PubMed

Kayaci, Fatma; Vempati, Sesha; Ozgit-Akgun, Cagla; Donmez, Inci; Biyikli, Necmi; Uyar, Tamer

2014-06-07

Heterojunctions are a well-studied material combination in photocatalysis studies, the majority of which aim to improve the efficacy of the catalysts. Developing novel catalysts begs the question of which photo-generated charge carrier is more efficient in the process of catalysis and the associated mechanism. To address this issue we have fabricated core-shell heterojunction (CSHJ) nanofibers from ZnO and TiO2 in two combinations where only the 'shell' part of the heterojunction is exposed to the environment to participate in the photocatalysis. Core and shell structures were fabricated via electrospinning and atomic layer deposition, respectively which were then subjected to calcination. These CSHJs were characterized and studied for photocatalytic activity (PCA). These two combinations expose electrons or holes selectively to the environment. Under suitable illumination of the ZnO-TiO2 CSHJ, e/h pairs are created mainly in TiO2 and the electrons take part in catalysis (i.e. reduce the organic dye) at the conduction band or oxygen vacancy sites of the 'shell', while holes migrate to the core of the structure. Conversely, holes take part in catalysis and electrons diffuse to the core in the case of a TiO2-ZnO CSHJ. The results further revealed that the TiO2-ZnO CSHJ shows ∼1.6 times faster PCA when compared to the ZnO-TiO2 CSHJ because of efficient hole capture by oxygen vacancies, and the lower mobility of holes.

Influence of dimensionality and interface type on optical and electronic properties of CdS/ZnS core-shell nanocrystals—A first-principles study

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

Kocevski, V., E-mail: vancho.vk@gmail.com, E-mail: vancho.kocevski@physics.uu.se; Eriksson, O.; Gerard, C.

2015-10-28

Semiconducting nanocrystals (NCs) have become one of the leading materials in a variety of applications, mainly due to their size tunable band gap and high intensity emission. Their photoluminescence (PL) properties can be notably improved by capping the nanocrystals with a shell of another semiconductor, making core-shell structures. We focus our study on the CdS/ZnS core-shell nanocrystals that are closely related to extensively studied CdSe/CdS NCs, albeit exhibiting rather different photoluminescence properties. We employ density functional theory to investigate the changes in the electronic and optical properties of these nanocrystals with size, core/shell ratio, and interface structure between the coremore » and the shell. We have found that both the lowest unoccupied eigenstate (LUES) and the highest occupied eigenstate (HOES) wavefunction (WF) are localized in the core of the NCs, with the distribution of the LUES WF being more sensitive to the size and the core/shell ratio. We show that the radiative lifetimes are increasing, and the Coulomb interaction energies decrease with increasing NC size. Furthermore, we investigated the electronic and optical properties of the NCs with different interfaces between the core and the shell and different core types. We find that the different interfaces and core types have rather small influence on the band gaps and the absorption indexes, as well as on the confinement of the HOES and LUES WFs. Also the radiative lifetimes are found to be only slightly influenced by the different structural models. In addition, we compare these results with the previous results for CdSe/CdS NCs, reflecting the different PL properties of these two types of NCs. We argue that the difference in their Coulomb interaction energies is one of the main reasons for their distinct PL properties.« less

Direct Observation of the Growth of Au-Pd Core-Shell Nanoparticles Using in situ Low-Dose Liquid Cell STEM imaging

DOE PAGES

Bhattarai, Nabraj; Prozorov, Tanya

2016-07-25

Bimetallic core-shell nanoparticles are widely used as catalysts in several industrial reactions, with core-shell structures permitting facile surface modification and allowing increased stability and durability, and cost-effectiveness of the catalysts. We report, for the first time, on observing the early stages of the formation of Au-Pd core-shell bimetallic nanoparticles via the seed-mediated growth in the presence of reducing agent, while employing the low-dose scanning transmission electron microscopy imaging with the fluid cell in situ. Use of the continuous flow in situ fluid cell platform allows for delivery of reagent solutions and generation of near-native reaction environment in the reaction chamber,more » and permits direct visualization of the early stages of formation of Au-Pd core-shell structures at low dose rate (0.1 e -/(Å 2s)) in the presence of ascorbic acid. No core-shell structures were detected in the absence of reducing agent at the electron dose of 32.6 e -/Å 2. While the core-shell structures formed in situ under the low-dose imaging closely resemble those obtained in solution synthesis, the reaction kinetics in the fluid cell is affected by the radiolysis of liquid reagents induced by electron beam, altering the rate-determining reaction steps. The enhanced reduction of Pd ions leads to initial rapid growth of the nascent Pd shell along the <111> direction at the Au interface, followed by a slower rearrangement of the outer Pd layer. The latter becomes the rate-determining step in the in situ reaction and appears to follow the oriented attachment-like movement to yield a remodeled, compact and stable Au-Pd core-shell nanostructure. Our findings highlight the differences between the two reaction pathways and aid in understanding the mechanism of formation of the core-shell nanostructure in situ.« less

Leaching characteristics of encapsulated controlled low-strength materials containing arsenic-bearing waste precipitates from refractory gold bioleaching.

PubMed

Bouzalakos, S; Dudeney, A W L; Chan, B K C

2016-07-01

We report on the leaching of heavy elements from cemented waste flowable fill, known as controlled low-strength materials (CLSM), for potential mine backfill application. Semi-dynamic tank leaching tests were carried out on laboratory-scale monoliths cured for 28 days and tested over 64 days of leaching with pure de-ionised water as leachant. Mineral processing waste include flotation tailings from a Spanish nickel-copper sulphide concentrate, and two bioleach neutralisation precipitates (from processing at 35°C and 70°C) from a South African arsenopyrite concentrate. Encapsulated CLSM formulations were evaluated to assess the reduction in leaching by encapsulating a 'hazardous' CLSM core within a layer of relatively 'inert' CLSM. The effect of each bioleach waste in CLSM core and tailings in CLSM encapsulating medium, are assessed in combination and in addition to CLSM with ordinary silica sand. Results show that replacing silica sand with tailings, both as core and encapsulating matrix, significantly reduced leachability of heavy elements, particularly As (from 0.008-0.190 mg/l to 0.008-0.060 mg/l), Ba (from 0.435-1.540 mg/l to 0.050-0.565 mg/l), and Cr (from 0.006-0.458 mg/l to 0.004-0.229 mg/l), to below the 'Dutch List' of groundwater contamination intervention values. Arsenic leaching was inherently high from both bioleach precipitates but was significantly reduced to below guideline values with encapsulation and replacing silica sand with tailings. Tailings proved to be a valuable encapsulating matrix largely owing to small particle size and lower hydraulic conductivity reducing diffusion transport of heavy elements. Field-scale trials would be necessary to prove this concept of encapsulation in terms of scale and construction practicalities, and further geochemical investigation to optimise leaching performance. Nevertheless, this work substantiates the need for alternative backfill techniques for sustainable management of hazardous finely-sized bulk mineral residues. Copyright © 2016 Elsevier Ltd. All rights reserved.

Role of ligand-ligand vs. core-core interactions in gold nanoclusters.

PubMed

Milowska, Karolina Z; Stolarczyk, Jacek K

2016-05-14

The controlled assembly of ligand-coated gold nanoclusters (NCs) into larger structures paves the way for new applications ranging from electronics to nanomedicine. Here, we demonstrate through rigorous density functional theory (DFT) calculations employing novel functionals accounting for van der Waals forces that the ligand-ligand interactions determine whether stable assemblies can be formed. The study of NCs with different core sizes, symmetry forms, ligand lengths, mutual crystal orientations, and in the presence of a solvent suggests that core-to-core van der Waals interactions play a lesser role in the assembly. The dominant interactions originate from combination of steric effects, augmented by ligand bundling on NC facets, and related to them changes in electronic properties induced by neighbouring NCs. We also show that, in contrast to standard colloidal theory approach, DFT correctly reproduces the surprising experimental trends in the strength of the inter-particle interaction observed when varying the length of the ligands. The results underpin the importance of understanding NC interactions in designing gold NCs for a specific function.

Copper nanowire-graphene core-shell nanostructure for highly stable transparent conducting electrodes.

PubMed

Ahn, Yumi; Jeong, Youngjun; Lee, Donghwa; Lee, Youngu

2015-03-24

A copper nanowire-graphene (CuNW-G) core-shell nanostructure was successfully synthesized using a low-temperature plasma-enhanced chemical vapor deposition process at temperatures as low as 400 °C for the first time. The CuNW-G core-shell nanostructure was systematically characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, Raman, and X-ray photoelectron spectroscopy measurements. A transparent conducting electrode (TCE) based on the CuNW-G core-shell nanostructure exhibited excellent optical and electrical properties compared to a conventional indium tin oxide TCE. Moreover, it showed remarkable thermal oxidation and chemical stability because of the tight encapsulation of the CuNW with gas-impermeable graphene shells. The potential suitability of CuNW-G TCE was demonstrated by fabricating bulk heterojunction polymer solar cells. We anticipate that the CuNW-G core-shell nanostructure can be used as an alternative to conventional TCE materials for emerging optoelectronic devices such as flexible solar cells, displays, and touch panels.