Electronic structures and bonding properties of chlorine-treated nitrogenated carbon nanotubes: X-ray absorption and scanning photoelectron microscopy studies

The electronic and bonding properties of nitrogenated carbon nanotubes (N-CNTs) exposed to chlorine plasma were investigated using C and N K-edge x-ray absorption near-edge structure (XANES) and scanning photoelectron microscopy (SPEM). The C and N K-edge XANES spectra of chlorine-treated N-CNTs consistently reveal the formation of pyridinelike N-CNTs by the observation of 1s ->pi(*)(e(2u)) antibonding and 1s ->pi(*)(b(2g)) bonding states. The valence-band photoemission spectra obtained from SPEM images indicate that chlorination of the nanotubes enhances the C-N bonding. First-principles calculations of the partial densities of states in conjunction with C K-edge XANES data identify the presence of C-Cl bonding in chlorine treated N-CNTs. (C) 2007 American Institute of Physics.

Solid-state analysis of low-melting 1,3-dialkylimidazolium hexafluorophosphate salts (ionic liquids) by combined x-ray crystallographic and computational analyses

The interactions of ions in the solid state for a series of representative 1,3-dialkylimidazolium hexafluorophosphate salts (either ionic liquids or closely related) have been examined by crystallographic analysis, combined with the theoretical estimation of crystal-packing densities and lattice-interaction energies. Efficient close-packing of the ions in the crystalline states is observed, but there was no compelling evidence for specific directional hydrogen-bonding to the hexafluorophosphate anions or the formation of interstitial voids. The close-packing efficiency is supported by the theoretical calculation of ion volumes, crystal lattice energies, and packing densities, which correlated well with experimental data. The crystal density of the salts can be predicted accurately from the summation of free ion volumes and lattice energies calculated. Of even more importance for future work, on these and related salts, the solid-state density of 1,3-dialkylimidazolium hexafluorophosphate salts can be predicted with reasonable accuracy purely on the basis of on ab initio free ion volumes, and this allows prediction of lattice energies without necessarily requiring the crystal structures.

IMAGING WITH THE VULCAN X-RAY LASER

An imaging microscope, comprising a Schwarzchild condenser and zone plate optical arrangement, has been established on the Vulcan Nd-glass laser system at the Rutherford Appleton Laboratory (RAL). Images of simple test structures have been taken in X-ray transmission using doublet X-ray laser radiation at 23.2 nm and 23.6 nm from collisionally pumped Ne-like germanium. Image resolution of about 0.15 mum has been measured.

SUBOPTICAL X-RAY-IMAGING USING THE VULCAN X-RAY LASER

An imaging microscope, comprising a Schwarzchild condenser and a zone-plate optical arrangement, has been established on the Vulcan Nd:glass laser system at the Rutherford Appleton Laboratory. Magnified images of simple test structures have been taken in x-ray transmission in a single subnanosecond laser shot by using doublet x-ray laser radiation at 23.2 and 23.6 nm from collisionally pumped Ne-like germanium. Image resolutions of approximately 0.15 mum have been measured. The results are a proof of principle and demonstrate that images of potentially suboptical resolution and of specimen regions that are destroyed on passage of the x-ray beam can be taken successfully using the Vulcan x-ray laser.

DNA double-strand break distributions in X-ray and alpha-particle irradiated V79 cells: Evidence for non-random breakage

Many studies have shown that with increasing LET of ionizing radiation the RBE (relative biological effectiveness) for dsb (double strand breaks) induction remains around 1.0 despite the increase in the RBE for cell killing. This has been attributed to an increase in the complexity of lesions, classified as dsb with current techniques, at multiply damaged sites. This study determines the molecular weight distributions of DNA from Chinese hamster V79 cells irradiated with X-rays or 110 keV/mu m alpha-particles. Two running conditions for pulsed-field gel-electrophoresis were chosen to give optimal separation of fragments either in the 225 kbp-5.7 Mbp range or the 0.3 kbp to 225 kbp range. Taking the total fraction of DNA migrating into the gel as a measure of fragmentation, the RBE for dsb induction was less than 1.0 for both molecular weight regions studied. The total yields of dsb were 8.2 x 10(-9) dsb/Gy/bp for X-rays and 7.8 x 10(-9) dsb/Gy/bp for a-particles, measured using a random breakage model. Analysis of the RBE of alpha-particles versus molecular weight gave a different response. In the 0.4 Mbp-57 Mbp region the RBE was less than 1.0; however, below 0.4 Mbp the RBE increased above 1.0. The frequency distributions of fragment sizes were found to differ from those predicted by a model assuming random breakage along the length of the DNA and the differences were greater for alpha-particles than for X-rays. An excess of fragments induced by a single-hit mechanism was found in the 8-300 kbp region and for X-rays and alpha-particles these corresponded to an extra 0.8 x 10(-9) and 3.4 x 10(-9) dsb/bp/Gy, respectively. Thus for every alpha-particle track that induces a dsb there is a 44% probability of inducing a second break within 300 kbp and for electron tracks the probability is 10%. This study shows that the distribution of damage from a high LET alpha-particle track is significantly different from that observed with low LET X-rays. In particular, it suggests that the fragmentation patterns of irradiated DNA may be related to the higher-order chromatin repealing structures found in intact cells.

Multidimensional modelling of X-ray spectra for AGN accretion disc outflows - III. Application to a hydrodynamical simulation

We perform multidimensional radiative transfer simulations to compute spectra for a hydrodynamical simulation of a line-driven accretion disc wind from an active galactic nucleus. The synthetic spectra confirm expectations from parametrized models that a disc wind can imprint a wide variety of spectroscopic signatures including narrow absorption lines, broad emission lines and a Compton hump. The formation of these features is complex with contributions originating from many of the different structures present in the hydrodynamical simulation. In particular, spectral features are shaped both by gas in a successfully launched outflow and in complex flows where material is lifted out of the disc plane but ultimately falls back. We also confirm that the strong Fe Ka line can develop a weak, red-skewed line wing as a result of Compton scattering in the outflow. In addition, we demonstrate that X-ray radiation scattered and reprocessed in the flow has a pivotal part in both the spectrum formation and determining the ionization conditions in the wind. We find that scattered radiation is rather effective in ionizing gas which is shielded from direct irradiation from the central source. This effect likely makes the successful launching of a massive disc wind somewhat more challenging and should be considered in future wind simulations. © 2010 The Authors. Journal compilation © 2010 RAS.

An investigation into the subambient behavior of aqueous mannitol solutions using differential scanning calorimetry, cold stage microscopy, and X-ray diffractometry

The subambient behavior of aqueous mannitol solutions is of considerable relevance to the preparation of freeze dried formulations. In this investigation the properties of 3% w/v mannitol solutions were investigated using differential scanning calorimetry (DSC), cold stage microscopy (CSM), and X-ray diffraction (XRD) to identify the thermal transitions and structural transformations undergone by this system. It was found that on cooling from ambient the system formed ice at circa -20°C while a further exotherm was seen at approximately -30°C. Upon reheating an endotherm was seen at circa -30°C followed immediately by an exotherm at circa -25°C. Temperature cycling indicated that the thermal transitions observed upon reheating were not reversible. Modulated temperature DSC (MTDSC) indicated that the transitions observed upon reheating corresponded to a glass transition immediately followed by recrystallization, XRD data showed that recrystallization was into the ß form. Annealing at -35°C for 40 min prior to cooling and reheating resulted in a maximum enthalpy being observed for the reheating exotherm. It is concluded that on cooling 3% w/v aqueous mannitol solutions an amorphous phase is formed that subsequently recrystallises into the ß form. The study has also shown that DSC, CSM, and XRD are useful complementary techniques for the study of frozen systems

Synchrotron X-ray diffraction study of the phase transformations in titanium alloys

High-resolution synchrotron X-ray diffraction was used to study the phase transformations in titanium alloys. Three titanium alloys were investigated: Ti-6Al-4V, Ti-6Al-2Sn-4Zr-2Mo-0.08Si and beta21s. Both room and high temperature measurements were performed. The room temperature experiments were performed to study the structure of the alloys after different heat treatments, namely as received (AR), furnace cooling (FC), water quenching (WQ) and water quenching followed by ageing. The alpha, alpha', alpha'' and beta phases were observed in different combinations depending on the heat treatment conditions and the alloy studied. A multicomponent hexagonal close packed (hcp) alpha phase, with different c and the same a lattice parameters, was detected in Ti-6Al-4V after FC. High temperature synchrotron X-ray diffraction was used for 'in situ' study of the transformations on the sample surface at elevated temperatures. The results were used to trace the kinetics of surface oxidation and the concurrent phase transformations taking place under different conditions. The influence of the temperature and oxygen content on the lattice parameters of the alpha phase was derived and new data obtained on the coefficients of thermal expansion in the different directions of the hcp alpha phase, for Ti-6Al-4V and Ti-6Al-2Sn-4Zr-2Mo-0.08Si.

Flare X-ray Observations of AB Doradus: Evidence of Stellar Coronal Opacity

X-ray spectra of the late-type star AB Dor obtained with the XMM-Newton satellite are analyzed. AB Dor was particularly active during the observations. An emission measure reconstruction technique is employed to analyze flare and quiescent spectra, with emphasis on the Fe XVII 15 - 17 angstrom wavelength region. The Fe XVII 16.78 angstrom/ 15.01 angstrom line ratio increases significantly in the hotter flare plasma. This change in the ratio is opposite to the theoretical predictions and is attributed to the scattering of 15.01 angstrom line photons from the line of sight. The escape probability technique indicates an optical depth of approximate to 0.4 for the 15.01 angstrom line. During the flare, the electron density is 4.4(-1.6)(+2.7) x 10(10) cm(-3), and the fractional Fe abundance is 0.5 +/- 0.1 of the solar photospheric value Using these parameters, a path length of approximate to 8000 km is derived. There is no evidence of opacity in the quiescent X-ray spectrum of the star.

An investigation into the use of atomic datasets in simulations of the Ni-like gadolinium x-ray laser

The effect of differing the datasets used in the modelling of the Ni-like Gd x-ray laser (XRL) is examined through the 1.50 hydro-atomic code, EHYBRID. Two atomic datasets, including energy levels and radiative and collisional excitation rates, are used as input data for the code. It is found that the behaviour of the XRL is somewhat different than might be expected from superficial examination of the atomic data. The similarities in the gain profiles at low densities are found to have encouraging implications. in our attempts to model XRLs.

X-ray and extreme-ultraviolet emission from the coronae of Capella

The primary objective of this work is the analysis and interpretation of coronal observations of Capella obtained in 1999 September with the High Energy Transmission Grating Spectrometer on the Chandra X-ray Observatory and the Extreme Ultraviolet Explorer (EUVE). He-like lines of O (O vii) are used to derive a density of 1.7 x 10(10) cm(-3) for the coronae of the binary, consistent with the upper limits derived from Fe xxi, Ne ix and Mg xi line ratios. Previous estimates of the electron density based on Fe xxi should be considered as upper limits. We construct emission measure distributions and compare the theoretical and observed spectra to conclude that the coronal material has a temperature distribution that peaks around 4-6 MK, implying that the coronae of Capella were significantly cooler than in the previous years. In addition, we present an extended line list with over 100 features in the 5-24 Angstrom wavelength range, and find that the X-ray spectrum is very similar to that of a solar flare observed with SMM. The observed to theoretical Fe xvii 15.012-Angstrom line intensity reveals that opacity has no significant effect on the line flux. We derive an upper limit to the optical depth, which we combine with the electron density to derive an upper limit of 3000 km for the size of the Fe xvii emitting region. In the same context, we use the Si iv transition region lines of Capella from HST/Goddard High-Resolution Spectrometer observations to show that opacity can be significant at T = 10(5) K, and derive a path-length of approximate to 75 kin for the transition region. Both the coronal and transition region observations are consistent with very small emitting regions, which could be explained by small loops over the stellar surfaces.