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.     

‘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.     

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.     

An investigation of the ordered DO19 phase formation in the Ti-Al system

For the Ti-rich, Ti-AI system, the- and- ₂ phase boundaries have been obtained through differential thermal analysis for alloy compositions ranging from 10.2 to 25.2 at% Al (6 to 16 wt% Al). It has been shown that in the above mentioned composition range, a metastable disordered-phase can be quenched in. This metastable then transforms to the ordered ₂(DO)₁₉ phase upon heating and/or isothermal ageing. It has also been observed that the kinetics of this ordering phenomenon is composition dependent.     

Triple Metal Surrounding Gate Junctionless Tunnel FET Based 6T SRAM Design for Low Leakage Memory System

Silicon - The promising capability of Triple Material Surrounding Gate Junctionless Tunnel FET (TMSG – JL – TFET) based 6 T SRAM structure is demonstrated by employing...     

Utilization of flyash as filler for polybutyleneterepthalate‐toughened epoxy resin

Flyash, a waste product generated in large quantities in thermal power plants, has been posing problems of disposal. The purpose of the present work was to make a meaningful utilization of flyash as filler in neat epoxy resin matrix and 2% Polybutyleneterepthalate (PBT)/epoxy blend matrix. For this purpose, the tensile, flexural, compression, impact, chemical resistance, and water absorption properties were studied. Composites were made with varying proportion of flyash in epoxy resin and 2% PBT/epoxy blend matrix. Tensile, flexural, and compression properties were measured on a computerized universal testing machine, according to ASTM procedures. Impact strength was determined using izod impact tester for un‐notched specimens. PBT (2%)/epoxy blend matrix composites showed improved mechanical properties over neat epoxy flyash composites. All the composites were found to have good chemical resistance toward acids, solvents, and alkalies. These composites showed better water resistance over neat epoxy flyash composites. POLYM. ENG. SCI. 46:946–953, 2006. © 2006 Society of Plastics Engineers