Optimum design of reinforced concrete frames using interactive computer graphics

An integrated approach of the design and optimization problem of reinforced concrete frames, based on the use of interactive computer graphics is presented. The formulation of the optimization problem in terms of all the design variables and constraints is given. The size of the problem is greatly reduced if reinforcement areas are considered as dependent variables. A fully stressed design method is employed to optimize an automatically generated initial design. Analysis and design results plots, including complete reinforcement drawings, are available to designers, helping them to evaluate the current status of the design and allowing them to direct the entire computation process.     

High-pressure plastic flow in silicon: A first-principles theoretical study

Summary Microindentation experiments have recently shown that silicon can exhibit plastic flow when subjected to high pressure. Assuming that under these conditions the relevant reference structure is the -Sn high-pressure phase of silicon, we apply the magic-strain concept to explore the space of configurations that could describe the observed behavior. We use first-principles total-energy calculations (including full relaxation of the atomic basis for every structure) to evaluate the relevance of strained configurations. Using this approach, we were able to identify a low-energy path that corresponds to planar flow of the atoms. The atomic configurations along this path provide insight into possible microscopic motions under high pressure that may be relevant to plastic flow in silicon.     

Text binarization in color documents

This article presents a new method for the binarization of color document images. Initially, the colors of the document image are reduced to a small number using a new color reduction technique. Specifically, this technique estimates the dominant colors and then assigns the original image colors to them in order that the background and text components to become uniform. Each dominant color defines a color plane in which the connected components (CCs) are extracted. Next, in each color plane a CC filtering procedure is applied which is followed by a grouping procedure. At the end of this stage, blocks of CCs are constructed which are next redefined by obtaining the direction of connection (DOC) property for each CC. Using the DOC property, the blocks of CCs are classified as text or nontext. The identified text blocks are binarized properly using suitable binarization techniques, considering the rest of the pixels as background. The final result is a binary image which contains always black characters in white background independently of the original colors of each text block. The proposed document binarization approach can also be used for binarization of noisy color (or gray‐scale) document images. Several experiments that confirm the effectiveness of the proposed technique are presented. © 2007 Wiley Periodicals, Inc. Int J Imaging Syst Technol, 16, 262–274, 2006     

Public acceptance of biofuels

The public acceptance of biofuels in Greece is examined in this work. The analysis of 571 face to face interviews shows that 90.7% of the respondents believe that climatic changes are related to fossil fuel consumption, while only 23.8% know the difference between biodiesel and bioethanol. 76.1% believe that energy saving should precede the use of an alternative source of energy. Only 27.3% believe that priority must be given to biofuels over other renewable energy sources. Only 49.9% think that the use of biofuels can be an effective solution against climatic changes and 53.9% believe that the use of biofuels can be an effective solution for the energy problem. Finally, 80.9% of the car owners are willing to use biofuels, 44.8% are willing to pay the supplementary amount of 0.06 €/L of the fuel market price, while the average amount reported as willing to pay was 0.079 €/L on top of the fuel market price. Furthermore, eight models correlating the eight main responses with several socioeconomic variables are developed and analyzed. Those findings heave important policy implications related to the use and promotion of biofuels.     

Insights from Theory on the Relationship Between Surface Reactivity and Gold Atom Release

Density functional theory, informed by experimental studies, is used to investigate the interplay of surface morphology, the adsorption site of reactants, the nature of the interaction between adsorbates and the surface, the potential energy landscape for adsorbates on the surface, adsorbate coverage, temperature, and the dynamic evolution of these factors during adsorption and reaction. We summarize our current understanding of Au atom release on the (111) surface and the corresponding effects on adsorption and reactivity. Gold was selected for these investigations because of the recent intense interest in the activity of gold nanoparticles for several important catalytic reactions. Fundamental experimental studies on Au single-crystal surfaces have established that atomic O is extremely active for oxidation of CO and olefins, that the local bonding of O is an important factor in determining the reactivity and selectivity for oxidation, and that Au atom release is induced by electronegative adsorbates, such as O, Cl, and S. These experimental results guided our theoretical studies. Density functional theory is an extremely useful tool since it evaluates the energetics associated with the incorporation of gold into the adsorbate layer, while providing fundamental physical insight into the underlying cause of gold incorporation. We use our results from static DFT calculations along with ab initio molecular dynamics simulations to understand the effect of surface morphology on the activity of gold for CO oxidation. Our investigation of Au atom release and incorporation induced by electronegative atoms clearly illustrates the importance of using experiments in combination with theory to establish the importance of and the underlying reasons for metal atom release and the affect on bonding and reactivity.     

Atomic structure of surfactant monolayers and its role in epitaxial growth

The energetically preferred structures of group V adsorbate monolayers on Si and SiGe substrates were studied using first-principles total energy calculations. By comparing structural features of the optimal adsorbate geometries we infer that structures involving self-bonded adsorbate units, such as dimers, trimers or chains, are most likely to segregate easily during growth. Among the group V elements considered, Sb forms structures involving self-bonded adsorbate units on the substrates considered, making it the most promising candidate for a surfactant. This prediction is consistent with recent experiments on Si(111) homoepitaxy. We also consider a simple solid-on-solid model that captures the essential features of surfactant behavior on Si substrates. The model involves a single variable _a, the activation energy for exchange between a newly deposited atom and a surfactant unit on a terrace. We find that depending on the temperature, the model leads to smooth or rough overlayers. The transition takes place at k_BT 0.1 _a. The qualitative difference in growth mode is demonstrated by examining the topological features of films grown under different conditions.     

Atomistic features of the amorphous–crystal interface in silicon

We simulate the amorphous–crystal interface in silicon using a combination of interatomic potential molecular-dynamics and tight- binding conjugate-gradient relaxation. The samples we create have high quality crystalline and amorphous portions. We develop some localized measures of order to characterize the interface, including a missing neighbor vector and the bond angle deviation. We find that the measures of order interpolate smoothly from a bulk crystal value to a bulk amorphous value across a 7 Å thick interface region. The interface structures exhibit a number of interesting features. The crystal planes near the interface are nearly perfect, with a few dimer defects similar to the Si(100) 2×1 reconstruction. Interfaces produced with one constant temperature simulation method are rough, with several layers of atoms forming <110> chains and (111) facets. A different simulation method produces more planar interfaces with only a few <110> chains.     

Effect of organic vapour interaction on permeation rate through polymer films

The permeability coefficients (P) of linalool, citral ethyl butyrate, d-limonene and octanal permeating through LDPE and ionomer films were measured alone as individual and as a component of a mixture at a temperature of 23 °C and in saturated water vapour. Values of P for ionomer film were approximately two orders of magnitude below those for LDPE for the compounds tested. Both PET and PETG films were found to be much better barriers against the compounds tested than LDPE and ionomer films. In general, the permeability, diffusion and solubility coefficients (P. D, and S) values measured in mixture were substantially less than the values obtained individually. Permeability behaviour of these compounds at low concentrations in the mixture was similar to that of permanent gases. Reduction of solubility coefficients in mixture permeation was greater with the higher solubility coefficients. These results provide a better understanding of the mechanism of vapour diffusion through polymers.     

Compact carbon clusters with tetrahedral bonding and icosahedral symmetry

We investigate the properties of a new class of compact carbon clusters with surface threefold coordination and bulk fourfold coordination. These clusters are the diamond analogs of fullerenes: they are characterized by icosahedral symmetry and almost perfectly tetrahedral bonding. A stable form of such structures could involve the saturation of surface dangling bonds by hydrogen. We use bond energies and electronic structure calculations to examine the relative stability of various sizes in both hydrogenated and pure form.