Exchange-correlation errors at harmonic and anharmonic orders: the case of bulk Cu

As an aid towards improving the treatment of exchange and correlation effects in electronic structure calculations, it is desirable to have a clear picture of the errors introduced by currently popular approximate exchange-correlation functionals. We have performed ab initio density functional theory and density functional perturbation theory calculations to investigate the thermal properties of bulk Cu, using both the local density approximation (LDA) and the generalized gradient approximation (GGA). Thermal effects are treated within the quasiharmonic approximation. We find that the LDA and GGA errors for anharmonic quantities are an order of magnitude smaller than for harmonic quantities; we argue that this might be a general feature. We also obtain much closer agreement with experiment than earlier, more approximate calculations.     

Factors influencing feature usage in work-related communication

Two studies are presented. The first aimed to identify possible barriers to the uptake and use of commonly available telephony features and to determine whether greater knowledge of features/access codes and availability of user manuals could increase feature usage under certain conditions. Results showed that feature-usage patterns were not affected by any of the manipulations, but that they were determined by specific job demands. Using Constantine and Lockwood's (1999) conceptualization of user roles, a method to support feature bundling decisions for specific target markets was developed and tested in the second study. The method - Strategic User Needs Analysis (SUNA) - was shown to yield a useful balance between high- and low-level information about selected roles. SUNA provided sufficient information to distinguish between PDA feature usage patterns of two similar target user groups as well as to suggest additional features each of the two target groups would find useful. The development of SUNA and observational findings of actual PDA usage are reported.     

Sexual orientation-related differences in prepulse inhibition of the human startle response.

Prepulse inhibition (PPI) refers to a reduction in the startle response to a strong sensory stimulus when this stimulus is preceded by a weaker stimulus--the prepulse. PPI reflects a nonlearned sensorimotor gating mechanism and also shows a robust gender difference, with women exhibiting lower PPI than men. The present study examined the eyeblink startle responses to acoustic stimuli of 59 healthy heterosexual and homosexual men and women. Homosexual women showed significantly masculinized PPI compared with heterosexual women, whereas no difference was observed in PPI between homosexual and heterosexual men. These data provide the first evidence for within-gender differences in basic sensorimotor gating mechanisms and implicate the known neural substrates of PPI in human sexual orientation. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

‘More power’ call sparks soft compact research

The 42-volt electrical system is to be introduced in automobiles to provide the extra power needed for various electromagnetic devices. This offers an opportunity for insulated iron powder to replace lamination steel in a variety of motors. Brushless motor design can probably benefit most from insulated iron powder compacts because of the design simplicity of powder metal parts and three-dimensional flux capability that is most beneficial in rotating devices says Sim Narasimhan…     

The MITRE E3 family of models structure and results

A family of energy/economic/environmental (E³) models is presented as a mechanism for analysing national policy issues. The family consists of discrete models which are designed to be run in an integrated manner. The outputs of certain models provide the inputs to the next. This structure allows the analyst to readily incorporate an understanding of regional factors such as local energy prices, concerns over air quality, water availability, or attitudes towards construction of new energy facilities, into national assessments of energy policies. This paper reviews the analytic framework within which energy policy issues are currently addressed. The initial family of E³ models is described with the emphasis on the data linkages and feedback which are provided when these models are run sequentially. The ongoing MITRE research programme with the E³ family of models is presented and plans and opportunities for future work are outlined.     

Synthesis and characterisation of N-toluyl methacrylatoethyl carbamates,homopolymers and copolymers with methyl methacrylate

The paper describes the synthesis of N-2/4-toluyl methacrylatoethyl carbamates using 2/4-toluyl isocyanate and 2-hydroxyethyl methacrylate. Homopolymerisation and copolymerisation of these novel monomers with methyl methacrylate was carried out using benzoyl peroxide as an initiator and tetrahydrofuran as solvent. Photopolymerisation of N-4-toluyl methacrylatoethyl carbamate could be carried out without the use of photosensitiser. Structural characterisation of copolymers was done using ¹H-NMR. Thermal stability of copolymers was evaluated in a nitrogen atmosphere by dynamic thermogravimetry.     

High quality gate dielectrics formed by rapid thermal chemical vapor deposition of silane and nitrous oxide

In the present study, we have performed electrical characterization of oxides deposited via rapid thermal chemical vapor deposition using SiH₄ and N₂O. We have investigated the effect of temperature, pressure, and SiH₄ to N₂O ratio on the electrical and material properties of as-deposited films. We have found that as-deposited oxides deposited at low temperatures, low pressures, and with a low silane to nitrous oxide ratio of ～0.5% give good material and electrical properties. The as-deposited films are stoichiometric in nature and have high deposition rates. As-deposited films had very low D_it values, high breakdown fields, and excellent subthreshold swing. The leakage currents and metal oxide semiconductor field effect transistor current drive, although lower than thermal oxides, were found to be quite acceptable. We have also investigated the thickness dependence of the films and found that as the film thickness is reduced below 50Å, the reliability improves for all oxides including the silicon-rich deposited oxides.     

Model-Based Diagnosis of Hybrid Systems

Techniques for diagnosing faults in hybrid systems that combine digital (discrete) supervisory controllers with analog (continuous) plants need to be different from those used for discrete or continuous systems. This paper presents a methodology for online tracking and diagnosis of hybrid systems. We demonstrate the effectiveness of the approach with experiments conducted on the fuel-transfer system of fighter aircraft     

Potent and selective bicyclic lactam inhibitors of thrombin: Part 2: P1 modifications

The synthesis and antithrombotic activity of a series of nonpeptide bicyclic thrombin inhibitors is described. We have explored the SAR with modifications to the P1 site. The introduction of arginine mimetics at the P1 site led to potent and selective thrombin inhibitors.