Structure determination from powder data : Mogul and CASTEP

When solving the crystal structure of complex molecules from powder data, accurately locating the global minimum can be challenging, particularly where the number of internal degrees of freedom is large. The program Mogul provides a convenient means to access typical torsion angle ranges for fragments related to the molecule of interest. The impact that the application of modal torsion angle constraints has on the structure determination process of two structure solution attempts using DASH is presented. Once solved, accurate refinement of a molecular structure against powder data can also present challenges. Geometry optimisation using density functional theory in CASTEP is shown to be an effective means to locate hydrogen atom positions reliably and return a more accurate description of molecular conformation and intermolecular interactions than global optimisation and Rietveld refinement alone

A Radio--Optical Reference Frame VIII. CCD observations from KPNO and CTIO: internal calibration and first results

In this pilot investigation, precise optical positions in the FK5 system are presented for a set of 16 compact extragalactic radio sources, which will be part of the future radio--optical reference frame. The 0.9 m KPNO and CTIO telescopes equipped with 2K CCD's have been used for this project. The astrometric properties of these instruments are investigated in detail. New techniques of using wide field CCD observations for astrometry in general are developed. An internal precision of 5 to 31 mas in position per single exposure is found, depending on the brightness of the object. The tie to the primary optical reference system is established by photographic astrometry using dedicated astrographs on both hemispheres. An accuracy of $\approx 30$ mas per source is estimated for the multi--step reduction procedure when based on the future Hipparcos catalog, while the FK5--based positions suffer from system errors of 100 to 200 mas as compared to the radio positions. This work provides a contribution to the international effort to link the Hipparcos instrumental coordinate system to the quasi--inertial VLBI radio reference frame. Precise radio and optical astrometry of a large sample of compact extragalactic sources will also contribute to the astrophysics of these objects by comparing the respective centers of emission at the optical and radio wavelengths.Comment: AAS v.4 LaTeX, 2 parts on 1 file (main text + deluxetable), accepted by AJ, Dec.95, fig. with reprint

Feynman Propagator for a Free Scalar Field on a Causal Set

The Feynman propagator for a free bosonic scalar field on the discrete spacetime of a causal set is presented. The formalism includes scalar field operators and a vacuum state which define a scalar quantum field theory on a causal set. This work can be viewed as a novel regularisation of quantum field theory based on a Lorentz invariant discretisation of spacetime.Comment: 4 pages, 2 plots. Minor updates to match published versio

Automated data acquisition and reduction system for torsional braid analyzer

Automated Data Acquisition and Reduction System (ADAR) evaluates damping coefficient and relative rigidity by storing four successive peaks of waveform and time period between two successive peaks. Damping coefficient and relative rigidity are then calculated and plotted against temperature or time in real time

Functional imaging reveals working memory and attention interact to produce the attentional blink

Copyright @ 2012 Massachusetts Institute of Technology PressIf two centrally presented visual stimuli occur within approximately half a second of each other, the second target often fails to be reported correctly. This effect, called the attentional blink (AB; Raymond, J. E., Shapiro, K. L., & Arnell, K. M. Temporary suppression of visual processing in an RSVP task: An attentional blink? Journal of Experimental Psychology, Human Perception and Performance, 18, 849-860, 1992], has been attributed to a resource "bottleneck," likely arising as a failure of attention during encoding into or retrieval from visual working memory (WM). Here we present participants with a hybrid WM-AB study while they undergo fMRI to provide insight into the neural underpinnings of this bottleneck. Consistent with a WM-based bottleneck account, fronto-parietal brain areas exhibited a WM load-dependent modulation of neural responses during the AB task. These results are consistent with the view that WM and attention share a capacity-limited resource and provide insight into the neural structures that underlie resource allocation in tasks requiring joint use of WM and attention.This research was supported by a project grant (071944) from the Wellcome Trust to Kimron Shapiro

Comparison of VLBI, TV and traveling clock techniques for time transfer

A three part experiment was conducted to develop and compare time transfer techniques. The experiment consisted of (1) a very long baseline interferometer (VLBI), (2) a high precision portable clock time transfer system between the two sites, and (3) a television time transfer. A comparison of the VLBI and traveling clock shows each technique can perform satisfactorily at the five nsec level. There was a systematic offset of 59 nsec between the two methods, which we attributed to a difference in epochs between VLBI formatter and station clock. The VLBI method had an internal random error of one nsec at the three sigma level for a two day period. Thus, the Mark II system performed well, and VLBI shows promise of being an accurate method of time transfer. The TV system, which had technical problems during the experiment, transferred time with a random error of about 50 nsec

Insulation bonding test system

A method and a system for testing the bonding of foam insulation attached to metal is described. The system involves the use of an impacter which has a calibrated load cell mounted on a plunger and a hammer head mounted on the end of the plunger. When the impacter strikes the insulation at a point to be tested, the load cell measures the force of the impact and the precise time interval during which the hammer head is in contact with the insulation. This information is transmitted as an electrical signal to a load cell amplifier where the signal is conditioned and then transmitted to a fast Fourier transform (FFT) analyzer. The FFT analyzer produces energy spectral density curves which are displayed on a video screen. The termination frequency of the energy spectral density curve may be compared with a predetermined empirical scale to determine whether a igh quality bond, good bond, or debond is present at the point of impact

Modification of electronic surface states by graphene islands on Cu(111)

We present a study of graphene/substrate interactions on UHV-grown graphene islands with minimal surface contamination using \emph{in situ} low-temperature scanning tunneling microscopy (STM). We compare the physical and electronic structure of the sample surface with atomic spatial resolution on graphene islands versus regions of bare Cu(111) substrate. We find that the Rydberg-like series of image potential states is shifted toward lower energy over the graphene islands relative to Cu(111), indicating a decrease in the local work function, and the resonances have a much smaller linewidth, indicating reduced coupling to the bulk. In addition, we show the dispersion of the occupied Cu(111) Shockley surface state is influenced by the graphene layer, and both the band edge and effective mass are shifted relative to bare Cu(111).Comment: 12 pages, 3 figure