Edge-to-edge interfaces in Ti?Al modeled with the embedded atom method

The atomistic structure and energies of high-index interphase boundaries are explored using a combination of molecular statics and dynamics simulations with embedded atom potentials. We investigate planar boundaries between the α₂ and γ phases in the Ti−Al system. The class of boundaries considered has a high-index boundary orientation; the orientation relationship between the α₂ and γ phases also is high index, and a set of planes from each phase meet edge to edge at the boundary plane. For the particular case of a boundary that is commensurate in one direction and coincides with a moiré plane given by the so-called “Δg” diffraction condition, the boundary is not structurally singular, but it is energetically stable and does not appear to dissociate into other low-energy configurations. Misfit compensating defects are not observed; misfit in directions other than the commensurate one appears to be distributed uniformly. The boundary energy is evaluated as a function of the orientation of the boundary plane, and the edge-to-edge (moiré) boundary is found to lie in an energy cusp. This article is based on a presentation made in the “Hume-Rothery Symposium on Structure and Diffusional Growth Mechanisms of Irrational Interphase Boundaries,” which occurred during the TMS Winter meeting, March 15–17, 2004, in Charlotte, NC, under the auspices of the TMS Alloy Phases Committee and the co-sponsorship of the TMS-ASM Phase Transformations Committee.     

The impacts of a GTL plant on Brazil's oil products supply and refinery expansion

This paper assesses the impacts of a GTL plant on the expansion of Brazil's oil refining segment. The GTL plant (50,000 bpd) was sized to start up operations in 2015, producing diesel and naphtha through the indirect route (FT-synthesis). This plant will consume the non-associated natural gas production from the recent discoveries at the Santos Basin (around 419 Bm³), and the associated gas production from the Campos Basin. Both basins are located in the Southeast of Brazil, the most populated, rich and industrialized region of the country. Two different criteria for refinery expansion were simulated in order to meet oil product demand scenarios. Findings show that depending on the refinery expansion criteria considered GTL will play a fundamental hole to meet the oil product demand forecast to Brazil in the next 10 years.     

Feasibility analysis of membrane reactors – discovery of reactive arheotropes

A feasibility analysis methodology adopted from reactive distillation is applied to membrane reactors. A model is formulated to depict the reactive liquid phase composition on the retentate side of a continuous type membrane reactor. The effects of both the chemical reaction kinetics and the membrane mass transfer kinetics on the feasible products are elucidated by means of retentate phase diagrams and bifurcation analysis. The proposed method can be applied to various membrane processes, independent of the specific structure of the membrane. Two quaternary reaction systems are considered to illustrate the methodology. In the first hypothetical system, it is shown how selective membranes can influence the sequence of effective volatilities which in turn affects the feasible products of the system. In the second example of practical importance, i.e. the heterogeneously catalysed synthesis of propyl acetate coupled with permeation through a porous polycarbonate membrane, the dusty gas model is applied to describe the component fluxes through the membrane. For the latter reaction system, the existence of reactive arheotrope is demonstrated. Arheotropes represent mass transfer controlled feasible products of membrane separation process.     

甘三酯立体专一分析的研究：（Ⅱ）甘三酯立体专一分析方法初探

在第一部分综合讨论的基础上对甘三酯立体专一分析方法作了初步探讨。以液体油(菜油)及固体脂(猪脂)为基质,系统地研究了这一分析方法,取得了经验并补充了一些具体验证方法。分析液体油的结果与文献数据相一致,分析猪脂的结果欠佳,还存在一些问题需待进一步研究。     

Optical properties of graphite-like carbon films

A model of the electronic structure of graphite-like carbon films, describing the semiconductor properties of this material, is presented. Spectra of optical constants of microcrystalline carbon films in the region λ = 0.4–8.0 μm were studied by the spectral ellipsometry and IR reflection methods. A number of distinctive features of the spectra, associated with both the appearance of C---C- and C---H_n-type bonds and direct energy gaps, were found. Analysis of the optical data using the proposed model makes possible a common interpretation of our results and literature data. Values of a parameter Θ, which is an averaged qualitative parameter of structural distortions within carbon microcrystallites as compared with crystalline graphite, are determined from comparison of theoretical results and experimental data.     

In-Situ observation on microfracture behavior ahead of the crack tip in 63Sn37Pb solder alloy

in-situ transmission electron microscopy (TEM) tensile tests on as-cast and aged 63Sn37Pb solder alloys were conducted, and the fracture behavior in nanometer scale ahead of the crack tip was inspected and discussed. Results show that the fracture was completed by connecting the discontinuous cracks or voids. Dislocation behavior was concentrated along the grain boundaries for as-cast samples, and displayed mainly as dislocation climb. The crack was intergranular dominated under the lower strain rate. While remarkable mutual dislocation emission was detected in the aged solder. Transgranular cracks were dominant in the fractured area, and they propagated by linking up with the nanometer scale cracks ahead of the crack tips under the effective promotion of the inverse dislocation emission. At the same time, the partial interphase or intergranular cracks in the thinned area were also found. Under this condition, a new critical stress intensity factor K _c ^′ to define the mutual dislocation emission was proposed.     

On sorting triangles in a delaunay tessellation

In a two-dimensional Delaunay-triangulated domain, there exists a partial ordering of the triangles (with respect to a vertex) that is consistent with the two-dimensional visibility of the triangles from that vertex. An equivalent statement is that a polygon that is star-shaped with respect to a given vertex can be extended, one triangle at a time, until it includes the entire domain. Arbitrary planar triangulations do not possess this useful property which allows incremental processing of the triangles.This work was partially supported by the National Science Foundation's US-Italy Collaborative Research Program under Grant INT-8714578 and Information, Robotics, and Intelligent Research Grant IRI-8704781.     

Computerized conferencing for knowledge acquisition from multiple experts

The increasing complecity of many expert system application areas calls for the integration of the knowledge of multiple experts. The use of multiple experts introduces some interesting new problems during the process of knowledge acquisition. The problems are further complicated when the experts are geographically dispersed or unavailable for face-to-face interactions.

This article discusses the motivations for acquiring the knowledge of multiple experts, the problems related to knowledge acquisition, new issues that arise whens multiple experts interact, solutions that can be brought to bear in building multiple expert systems (particularly when experts are geographically dispersed), and new tools for knowledge engineers to use when dealing with multiple experts.     

Electrochemical Faceting of polycrystalline platinum in HF solutions

The electrochemical faceting of polycrystalline (pc) platinum yielding a (100)-preferred oriented electrode surface was accomplished in HF solutions by applying to the pc platinum electrode a square wave potential perturbation at 1 kHz in the 0.2 to 1.3 V range (vs rhe). SEM patterns of the resulting surfaces were also obtained. For HF concentrations up to 2 M no appreciable influence of the electrolyte concentration on the electrochemical faceting was noticed. Otherwise, the voltammetric response of the (100)-type preferred oriented platinum surface in the H-adatom potential range when compared to previously reported data resulted remarkably sensitive to the electrolyte composition. The discussion of results was based on the non-equilibrium adsorption conditions for anions under the periodic perturbation.