The Computational Chemistry Prototyping Environment

Evolving technologies, as exemplified by computational grids and Web services, have made it possible to solve new scientific problems that would not have been feasible previously. In order to make such advances available to the community in general and to be able to solve new problems, not necessarily from the same discipline, it is imperative to build tools that provide a common user interface in order that application programmers and users do not have to be concerned with particulars of Web services and their underlying code, computational platforms, or with data file formats. We will describe our efforts in creating a computational chemistry environment that encompasses a general scientific workflow environment, a domain specific example for quantum chemistry, our ongoing design of a workflow user interface, and our efforts at database integration.     

Analysis of the possibility of implementing the principle of redistribution of concentration fields for reactive distillation processes

The evolution of the phase portrait for the dynamic system of open evaporation combined with a chemical reaction for a fixed liquid amount was studied as dependent on the rate constants of the reaction. A three-component azeotropic mixture whose vapor-liquid equilibrium diagram is characterized by two distillation regions was considered. The possibility of the open evaporation trajectory to transfer through the separatrix between the distillation regions was shown, as well as the possibility of implementing the principle of redistribution of the concentration fields due to chemical reactions occurring in reactive distillation columns.Translated from Teoreticheskie Osnovy Khimicheskoi Tekhnologii, Vol. 39, No. 2, 2005, pp. 115–119.Original Russian Text Copyright © 2005 by Solokhin, Nazanskii, Timofeev.     

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Linearity stablized fiber-optic thermometer using pseudo-heterodyne phase detection

A temperature sensor using a fiber-optic Fabry-Perot interferometer is described. A pseudo-heterodyne detection scheme is adopted to read the light phase difference in the Fabry-Perot interference output. A higher harmonic components comparison method is used to stabilize the system and to increase detection linearity. This system realizes not only highly sensitive temperature sensing with good linearity and minimal adjusting error, but also application to the sensing of other physical quantities such as vibrations. Additionally, the signal-to-noise ratio and distortion of the detected signal are investigated as functions of fiber end reflectivity. These results will be useful in designing a high performance fiber-optic Fabry-Perot thermometer.     

Convective transfer processes in chemically stable and reacting liquids with an internal structure

Dynamic processes are studied in media with softly and hardly internal destroyable configurations. A method is examined for the measurement of properties of media with spatial separation of the chemical transformation stages and thermal hydrodynamic measurements.Translated from Inzhenerno-Fizicheskii Zhurnal, Vol. 53, No. 5, pp. 781–789, November, 1987.     

Automated camerawork for capturing desktop presentations

A novel automated camera control method for capturing desktop presentations is introduced. Typical features and the camerawork of shots that appear frequently in TV programs are discussed. To realise those features in this automated video capturing system, the purpose of camerawork is classified from two points of view: target and aspect-of-target. Then, the correspondence between the classification and typical shots and camerawork is considered. A virtual-frame control algorithm based on this idea is proposed, and its implementation in a video production system. Results are shown that verify this method through two kinds of experiments, virtual video capturing using CG animations and real video capturing of real presentations.     

Hot-carrier reliability of 20V MOS transistors in 0.13 μm CMOS technology

This paper presents results of reliability investigation of 20 V N-Drift MOS transistor in 0.13 μm CMOS technology. Due to high performances required for CMOS applications, adding high voltage devices becomes a big challenge to guarantee the reliability criteria. In this context, new reliability approaches are needed. Safe Operating Area are defined for switch, V_ds limited and V_gs limited applications in order to improve circuit designs. For V_ds limited applications, deep doping dose effects in drift area are investigated in correlation to lifetime evaluations based on device parameter shifts under hot carrier stressing. To further determine the amount and locations of hot carriers injections, accurate 2D technological and electrical simulations are performed and permit to select the best compromise between performance and reliability for N-Drift MOS transistor.     

Fabrication of Strain-Relaxed Si<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Ge<Subscript>x</Subscript>/Si(001) Buffer Layers of Low Surface Roughness

The results are presented of the fabrication of strain-relaxed graded Si_{1 − x} Ge_x/Si(001) buffer layers with a maximum Ge fraction of about 0.25 that have a low density of threading dislocations (<10⁶ cm⁻²) and low surface roughness. The buffer layers are grown by atmospheric-pressure hydride CVD. It is found that chemical mechanical polishing can reduce their surface roughness to a level comparable with that of the original Si(001) substrates. It is shown that the polished buffer layers can serve as substrates for MBE-grown SiGe/Si heterostructures.__________Translated from Mikroelektronika, Vol. 34, No. 4, 2005, pp. 243–250.Original Russian Text Copyright © 2005 by Vostokov, Drozdov, Krasil’nik, Kuznetsov, Novikov, Perevoshchikov, Shaleev.