Energy Trapping in Dications

The energy interaction curves of a number of diatomic and polyatomic dication systems were calculated in order to study their energy-trapping properties. Generally, the ab initio complete active space multiconfiguration self-consistent field method was used in an extended valence + polarization basis set, with compact effective potentials replacing the core electrons. The diatomic dications include all ten possible binary combinations of oxygen, sulphur, selenium, and tellurium. O₂²⁺ shows the largest exothermicity, measured from equilibrium to the monocation combination asymptote, and highest barrier to dissociation. The calculated equilibrium bond length and harmonic vibrational frequency agree very well with experiment. The O₂²⁺, SO²⁺, SeO²⁺, and TeO²⁺ series show progressively decreasing exothermicities but similar barrier heights. The non-oxides, in contrast, show similar exothermicities but decreasing barriers with increasing size of the atom constituents. These trends are interpreted in terms of both valence bond curve-crossing and molecular orbital bonding models. The ozone dication, O₃²⁺, is found to have a number of low-lying singlet and triplet stationary state structures spanning near-linear to D_3h2+ symmetries. Although the calculated exothermicity is even larger than for O₂²⁺, the barrier to O₂⁺ + O⁺ dissociation is predicted to be low in each case. O₂²⁺ surrounded by six argon atoms to model an isolating environment shows increased equilibrium O–O bond length, decreased exothermicity, and increased barrier to dissociation, relative to the bare dication. O₂²⁺ flanked at each end by a perpendicularly oriented H₂ molecule in a staggered conformation is obstructed from direct conversion to the water dimer dication by a high barrier. However, [(H₂O)₂]²⁺ dissociates smoothly from equilibrium to two water monocations with a large exothermicity but a small barrier.     

Estimating frequency of occurrence.

Various models have been proposed that attribute judgments of frequency of occurrence either to the direct coding of frequency information or to the estimation of frequency from characteristics of memory traces that are not direct frequency codes. We present three experiments that replicate and further explore a phenomenon that is significant in the distinction between direct and indirect models of frequency coding. The phenomenon is that deeper processing of stimulus material results in superior judgments of frequency for that material than does shallower processing. This effect is at least partly attributable to the number of associations that are generated by deep analysis. The results of the present experiments thereby implicate an indirect coding mechanism underlying frequency judgments. However, we also show that there is ample reason to suppose a contribution of a direct coding mechanism as well. The most reasonable view, therefore, is that multiple mechanisms are involved in the registration of frequency of occurrence. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Measurement of the elastic modulus of fibre-reinforced composites used as orthodontic wires

The mechanical properties of an orthodontic wire pultruded from S2-glass-reinforced polyethyleneterephthalate glycol (PETG) were measured using two experimental devices simulating clinical conditions. A comparison of moduli measured in the clinically relevant devices with those measured in a standard flexural test reveals that data obtained using small cross-section, short span length clinical specimens require corrections associated with clamping and shearing effects. The clamping effect dominates and is caused by the softening of the material near the clamps. The shear effect becomes important at high fibre volume fractions and small span/thickness ratios. With adoption of these corrections, good agreement between moduli calculated using rule of mixtures and those measured in clinical tests is achieved. The analytical base developed for prediction of the stiffness of the orthodontic wire for different span/thickness ratios improves the procedure for design of dental appliances.     

The physician-delivered smoking intervention project: Can short-term interventions produce long-term effects for a general outpatient population?

Patterns of smoking cessation using 6- and 12-mo follow-up data are reported for 1,261 primary care patients randomized to 3 physician-delivered smoking interventions: advice only (AO), counseling (CI), and counseling plus availability of nicotine-containing gum (CI?+?NCG). One-week point-prevalence cessation rates at 12 mo did not differ among the interventions: AO (15.2%), CI (12.9%) and CI?+?NCG (16.7%). However, maintained cessation rates (abstinent at both 6 and 12 mo) increased with intervention intensity: AO (6.0%), CI (7.8%), and CI?+?NCG (10.0%): Test of trend χ–2?=?5.06, p?=?.02. CI?+?NCG was significantly higher than AO (p?=?.02). The findings support the following conclusions: Brief physician delivered intervention with availability of nicotine-containing gum can have a beneficial long-term effect on smoking cessation, and cohort data as well as point-prevalence rates are important when assessing the long-term impact of lifestyle interventions. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

A multimedia interactive conferencing application for personalworkstations

The multimedia interactive conferencing application (MICA), a personal-workstation application for multipoint visual teleconferencing, is described. MICA allows people at two or more locations to share visual material such as documents, photographs, and computer screens in a highly interactive way. It supports the distribution, storage, retrieval, and high-quality display of visuals, real-time interaction by pointing and annotation, and meeting services facilities. The context of multimedia teleconferencing and computer-supported cooperative work is established, relating earlier research to the design of MICA. The services MICA offers are outlined. The handling, compression, and display of multiple media, and the design of a suitable user interface for MICA are discussed     

Sirens, seals, and containers: Reflections on psychotherapy during the 1991 Gulf War.

Presents clinical observations of the impact of the Persian Gulf War on the themes and processes of psychotherapy among a group of Israeli patients. Metaphors of the war period were analyzed in light of contemporary psychoanalytic thinking, with a particular focus on the significance of the sealed room. Issues of the psychotherapeutic technical stance and resistance vs breach in the frame were also addressed, and 2 case vignettes are included. It is concluded that the therapeutic framework is a representational constituent of early experiences pertaining to boundaries, containment, transitionality, and psychic enclosure, and remains sensitive throughout the treatment to vicissitudes of transference or to the reapportionment of psychic space. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Multiplicative Operator Splittings in Nonlinear Diffusion: From Spatial Splitting to Multiple Timesteps

Operator splitting is a powerful concept used in many diversed fields of applied mathematics for the design of effective numerical schemes. Following the success of the additive operator splitting (AOS) in performing an efficient nonlinear diffusion filtering on digital images, we analyze the possibility of using multiplicative operator splittings to process images from different perspectives.We start by examining the potential of using fractional step methods to design a multiplicative operator splitting as an alternative to AOS schemes. By means of a Strang splitting, we attempt to use numerical schemes that are known to be more accurate in linear diffusion processes and apply them on images. Initially we implement the Crank-Nicolson and DuFort-Frankel schemes to diffuse noisy signals in one dimension and devise a simple extrapolation that enables the Crank-Nicolson to be used with high accuracy on these signals. We then combine the Crank-Nicolson in 1D with various multiplicative operator splittings to process images. Based on these ideas we obtain some interesting results. However, from the practical standpoint, due to the computational expenses associated with these schemes and the questionable benefits in applying them to perform nonlinear diffusion filtering when using long timesteps, we conclude that AOS schemes are simple and efficient compared to these alternatives.We then examine the potential utility of using multiple timestep methods combined with AOS schemes, as means to expedite the diffusion process. These methods were developed for molecular dynamics applications and are used efficiently in biomolecular simulations. The idea is to split the forces exerted on atoms into different classes according to their behavior in time, and assign longer timesteps to nonlocal, slowly-varying forces such as the Coulomb and van der Waals interactions, whereas the local forces like bond and angle are treated with smaller timesteps. Multiple timestep integrators can be derived from the Trotter factorization, a decomposition that bears a strong resemblance to a Strang splitting. Both formulations decompose the time propagator into trilateral products to construct multiplicative operator splittings which are second order in time, with the possibility of extending the factorization to higher order expansions. While a Strang splitting is a decomposition across spatial dimensions, where each dimension is subsequently treated with a fractional step, the multiple timestep method is a decomposition across scales. Thus, multiple timestep methods are a realization of the multiplicative operator splitting idea. For certain nonlinear diffusion coefficients with favorable properties, we show that a simple multiple timestep method can improve the diffusion process.