CHANGES IN PREDICTED MOS DEVICE CHARACTERISTICS DUE TO THE USE OF TWO DIMENSIONAL SOURCE/DRAIN PROFILES.

Two-dimensional MOS device simulation programs such as MINIMOS left bracket 1 right bracket are limited in their validity due to assumptions made in defining the initial two-dimensional source/drain profiles. The two options available to define source/drain regions both construct a two-dimensional profile from one-dimensional profiles normal to the surface. Inaccuracies in forming these source/drain profiles can be expected to effect predicted device characteristics as channel dimensions of the device are reduced. This paper examines these changes by interfacing numerically similated two dimensional source/drain profiles to MINIMOS and comparing predicted I//D-V//D characteristics with 2-D interfacing, 2-D profiles constructed from interfaced 1-D profiles and MINIMOS self generated profiles. Data obtained for simulations of 3 mu m N and P channel devices are presented.

Velocity profiles in a cylindrical liquid jet by reconstructed velocimetry

An experimental setup and a simple reconstruction method are presented to measure velocity fields inside slightly tapering cylindrical liquid jets traveling through still air. Particle image velocimetry algorithms are used to calculate velocity fields from high speed images of jets of transparent liquid containing seed particles. An inner central plane is illuminated by a laser sheet pointed at the center of the jet and visualized through the jet by a high speed camera. Optical distortions produced by the shape of the jet and the difference between the refractive index of the fluid and the surrounding air are corrected by using a ray tracing method. The effect of the jet speed on the velocity fields is investigated at four jet speeds. The relaxation rate for the velocity profile downstream of the nozzle exit is reasonably consistent with theoretical expectations for the low Reynolds numbers and the fluid used, although the velocity profiles are considerably flatter than expected. © 2012 American Society of Mechanical Engineers.

The energy required to produce materials: constraints on energy-intensity improvements, parameters of demand.

In this paper, we review the energy requirements to make materials on a global scale by focusing on the five construction materials that dominate energy used in material production: steel, cement, paper, plastics and aluminium. We then estimate the possibility of reducing absolute material production energy by half, while doubling production from the present to 2050. The goal therefore is a 75 per cent reduction in energy intensity. Four technology-based strategies are investigated, regardless of cost: (i) widespread application of best available technology (BAT), (ii) BAT to cutting-edge technologies, (iii) aggressive recycling and finally, and (iv) significant improvements in recycling technologies. Taken together, these aggressive strategies could produce impressive gains, of the order of a 50-56 per cent reduction in energy intensity, but this is still short of our goal of a 75 per cent reduction. Ultimately, we face fundamental thermodynamic as well as practical constraints on our ability to improve the energy intensity of material production. A strategy to reduce demand by providing material services with less material (called 'material efficiency') is outlined as an approach to solving this dilemma.

Tests of an adaptive QM/MM calculation on free energy profiles of chemical reactions in solution.

We present reaction free energy calculations using the adaptive buffered force mixing quantum mechanics/molecular mechanics (bf-QM/MM) method. The bf-QM/MM method combines nonadaptive electrostatic embedding QM/MM calculations with extended and reduced QM regions to calculate accurate forces on all atoms, which can be used in free energy calculation methods that require only the forces and not the energy. We calculate the free energy profiles of two reactions in aqueous solution: the nucleophilic substitution reaction of methyl chloride with a chloride anion and the deprotonation reaction of the tyrosine side chain. We validate the bf-QM/MM method against a full QM simulation, and show that it correctly reproduces both geometrical properties and free energy profiles of the QM model, while the electrostatic embedding QM/MM method using a static QM region comprising only the solute is unable to do so. The bf-QM/MM method is not explicitly dependent on the details of the QM and MM methods, so long as it is possible to compute QM forces in a small region and MM forces in the rest of the system, as in a conventional QM/MM calculation. It is simple, with only a few parameters needed to control the QM calculation sizes, and allows (but does not require) a varying and adapting QM region which is necessary for simulating solutions.