Calculations of Potential Energy Surfaces Using Monte Carlo Configuration Interaction

We apply the method of Monte Carlo configuration interaction (MCCI) to calculate ground-state potential energy curves for a range of small molecules and compare the results with full configuration interaction. We show that the MCCI potential energy curve can be calculated to relatively good accuracy, as quantified using the non-parallelity error, using only a very small fraction of the FCI space. In most cases the potential curve is of better accuracy than its constituent single-point energies. We finally test the MCCI program on systems with basis sets beyond full configuration interaction: a lattice of fifty hydrogen atoms and ethylene. The results for ethylene agree fairly well with other computational work while for the lattice of fifty hydrogens we find that the fraction of the full configuration interaction space we were able to consider appears to be too small as, although some qualitative features are reproduced, the potential curve is less accurate.Comment: 14 pages, 22 figure

Monte Carlo configuration interaction applied to multipole moments, ionisation energies and electron affinities

The method of Monte Carlo configuration interaction (MCCI) [1,2] is applied to the calculation of multipole moments. We look at the ground and excited state dipole moments in carbon monoxide. We then consider the dipole of NO, the quadrupole of the nitrogen molecule and of BH. An octupole of methane is also calculated. We consider experimental geometries and also stretched bonds. We show that these non-variational quantities may be found to relatively good accuracy when compared with FCI results, yet using only a small fraction of the full configuration interaction space. MCCI results in the aug-cc-pVDZ basis are seen to generally have reasonably good agreement with experiment. We also investigate the performance of MCCI when applied to ionisation energies and electron affinities of atoms in an aug-cc-pVQZ basis. We compare the MCCI results with full configuration-interaction quantum Monte Carlo [3,4] and `exact' non-relativistic results [3,4]. We show that MCCI could be a useful alternative for the calculation of atomic ionisation energies however electron affinities appear much more challenging for MCCI. Due to the small magnitude of the electron affinities their percentage errors can be high, but with regards to absolute errors MCCI performs similarly for ionisation energies and electron affinities.Comment: 12 pages, 20 figure

Series-hybrid bearing - An approach to extending bearing fatigue life at high speeds

Fluid film bearing of hybrid device consists of orifice compensated annular thrust bearing and self-acting journal bearing. In series hybrid bearing, both ball bearing and annular thrust bearing carry full system thrust load, but two bearings share speed. Operation of system is stable and automatically fail-safe

Low-speed wind-tunnel tests of an advanced eight-bladed propeller

As part of a research program on advanced turboprop aircraft aerodynamics, a low-speed wind-tunnel investigation was conducted to document the basic performance and force and moment characteristics of an advanced eight-bladed propeller. The results show that in addition to the normal force and pitching moment produced by the propeller/nacelle combination at angle of attack, a significant side force and yawing moment are also produced. Furthermore, it is shown that for test conditions wherein compressibility effects can be ignored, accurate simulation of propeller performance and flow fields can be achieved by matching the nondimensional power loading of the model propeller to that of the full-scale propeller

Discovery of Radio Emission from Transient Anomalous X-ray Pulsar XTE J1810-197

We report the first detection of radio emission from any anomalous X-ray pulsar (AXP). Data from the Very Large Array (VLA) MAGPIS survey with angular resolution 6" reveals a point-source of flux density 4.5 +/- 0.5 mJy at 1.4 GHz at the precise location of the 5.54 s pulsar XTE J1810-197. This is greater than upper limits from all other AXPs and from quiescent states of soft gamma-ray repeaters (SGRs). The detection was made in 2004 January, 1 year after the discovery of XTE J1810-197 during its only known outburst. Additional VLA observations both before and after the outburst yield only upper limits that are comparable to or larger than the single detection, neither supporting nor ruling out a decaying radio afterglow related to the X-ray turn-on. Another hypothesis is that, unlike the other AXPs and SGRs, XTE J1810-197 may power a radio synchrotron nebula by the interaction of its particle wind with a moderately dense environment that was not evacuated by previous activity from this least luminous, in X-rays, of the known magnetars.Comment: 13 pages, 1 figure, to appear in ApJ Letter

The Orbital Solution and Spectral Classification of the High-Mass X-Ray Binary IGR J01054-7253 in the Small Magellanic Cloud

We present X-ray and optical data on the Be/X-ray binary (BeXRB) pulsar IGR J01054-7253 = SXP11.5 in the Small Magellanic Cloud (SMC). Rossi X-ray Timing Explorer (RXTE) observations of this source in a large X-ray outburst reveal an 11.483 +/- 0.002s pulse period and show both the accretion driven spin-up of the neutron star and the motion of the neutron star around the companion through Doppler shifting of the spin period. Model fits to these data suggest an orbital period of 36.3 +/- 0.4d and Pdot of (4.7 +/- 0.3) x 10^{-10} ss^{-1}. We present an orbital solution for this system, making it one of the best described BeXRB systems in the SMC. The observed pulse period, spin-up and X-ray luminosity of SXP11.5 in this outburst are found to agree with the predictions of neutron star accretion theory. Timing analysis of the long-term optical light curve reveals a periodicity of 36.70 +/- 0.03d, in agreement with the orbital period found from the model fit to the X-ray data. Using blue-end spectroscopic observations we determine the spectral type of the counterpart to be O9.5-B0 IV-V. This luminosity class is supported by the observed V-band magnitude. Using optical and near-infrared photometry and spectroscopy, we study the circumstellar environment of the counterpart in the months after the X-ray outburst.Comment: 12 pages, 13 figures and 3 tables. This paper has been accepted for publication in MNRA

Mice lacking C1q or C3 show accelerated rejection of minor H disparate skin grafts and resistance to induction of tolerance

Complement activation is known to have deleterious effects on organ transplantation. On the other hand, the complement system is also known to have an important role in regulating immune responses. The balance between these two opposing effects is critical in the context of transplantation. Here, we report that female mice deficient in C1q (C1qa(−/−)) or C3 (C3(−/−)) reject male syngeneic grafts (HY incompatible) at an accelerated rate compared with WT mice. Intranasal HY peptide administration, which induces tolerance to syngeneic male grafts in WT mice, fails to induce tolerance in C1qa(−/−) or C3(−/−) mice. The rejection of the male grafts correlated with the presence of HY D(b)Uty-specific CD8(+) T cells. Consistent with this, peptide-treated C1qa(−/−) and C3(−/−) female mice rejecting male grafts exhibited more antigen-specific CD8(+)IFN-γ(+) and CD8(+)IL-10(+) cells compared with WT females. This suggests that accumulation of IFN-γ- and IL-10-producing T cells may play a key role in mediating the ongoing inflammatory process and graft rejection. Interestingly, within the tolerized male skin grafts of peptide-treated WT mice, IFN-γ, C1q and C3 mRNA levels were higher compared to control female grafts. These results suggest that C1q and C3 facilitate the induction of intranasal tolerance

Overview of the Langley subsonic research effort on SCR configuration

Recent advances achieved in the subsonic aerodynamics of low aspect ratio, highly swept wing designs are summarized. The most significant of these advances was the development of leading edge deflection concepts which effectively reduce leading edge flow separation. The improved flow attachment results in substantial improvements in low speed performance, significant delay of longitudinal pitch up, increased trailing edge flap effectiveness, and increased lateral control capability. Various additional theoretical and/or experimental studies are considered which, in conjunction with the leading edge deflection studies, form the basis for future subsonic research effort

Remarkable dynamics of nanoparticles in the urban atmosphere

Nanoparticles emitted from road traffic are the largest source of respiratory exposure for the general public living in urban areas. It has been suggested that the adverse health effects of airborne particles may scale with the airborne particle number, which if correct, focuses attention on the nanoparticle (less than 100 nm) size range which dominates the number count in urban areas. Urban measurements of particle size distributions have tended to show a broadly similar pattern dominated by a mode centred on 20–30 nm diameter particles emitted by diesel engine exhaust. In this paper we report the results of measurements of particle number concentration and size distribution made in a major London park as well as on the BT Tower, 160 m high. These measurements taken during the REPARTEE project (Regents Park and BT Tower experiment) show a remarkable shift in particle size distributions with major losses of the smallest particle class as particles are advected away from the traffic source. In the Park, the traffic related mode at 20–30 nm diameter is much reduced with a new mode at <10 nm. Size distribution measurements also revealed higher number concentrations of sub-50 nm particles at the BT Tower during days affected by higher turbulence as determined by Doppler Lidar measurements and indicate a loss of nanoparticles from air aged during less turbulent conditions. These results suggest that nanoparticles are lost by evaporation, rather than coagulation processes. The results have major implications for understanding the impacts of traffic-generated particulate matter on human health

Optical Follow-up of New SMC Wing Be/X-ray Binaries

We investigate the optical counterparts of recently discovered Be/X-ray binaries in the Small Magellanic Cloud. In total four sources, SXP101, SXP700, SXP348 and SXP65.8 were detected during the Chandra Survey of the Wing of the SMC. SXP700 and SXP65.8 were previously unknown. Many optical ground based telescopes have been utilised in the optical follow-up, providing coverage in both the red and blue bands. This has led to the classification of all of the counterparts as Be stars and confirms that three lie within the Galactic spectral distribution of known Be/X-ray binaries. SXP101 lies outside this distribution becoming the latest spectral type known. Monitoring of the Halpha emission line suggests that all the sources bar SXP700 have highly variable circumstellar disks, possibly a result of their comparatively short orbital periods. Phase resolved X-ray spectroscopy has also been performed on SXP65.8, revealing that the emission is indeed harder during the passage of the X-ray beam through the line of sight.Comment: 9 pages, 9 figures, 2 tables, accepted for publication in MNRA