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     

The Territorial Impact Assessment of transport: the case of the Egnatia motorway system in the cohesion potential of Southeast Europe

Territorial Impact Assessment (TIA) is proposed as a critical tool in order to investigate the way policies affect spatial development and hence territorial cohesion. The paper introduces a TIA methodological model in relation to transport sector. The design of the methodological model is based on a quantitative evaluation framework that comprises a set of selected indicators applied in a cross-border area of southeast Europe, influenced by the operation of the Greek motorway system of Egnatia and its vertical axes. The indicators are grouped into three main fields of TIA, i.e. transport intermodality, polycentric spatial organization and cross-border territorial cooperation. The TIA’s indicators are approximated by quantitative analysis. The procedure concludes to an overall composite indicator measuring the ‘level of territorial cohesion’ along with some core results and the expected added value. It also highlights some key technical aspects about the routines used and proceeds to suggestions for further refinement.     

Peripheral Inflammatory Markers TNF-α and CCL2 Revisited: Association with Parkinson’s Disease Severity

One of the major mediators of neuroinflammation in PD is tumour necrosis factor alpha (TNF-α), which, similar to other cytokines, is produced by activated microglia and astrocytes. Although TNF-α can be neuroprotective in the brain, long-term neuroinflammation and TNF release can be harmful, having a neurotoxic role that leads to death of oligodendrocytes, astrocytes, and neurons and, therefore, is associated with neurodegeneration. Apart from cytokines, a wide family of molecules with homologous structures, namely chemokines, play a key role in neuro-inflammation by drawing cytotoxic T-lymphocytes and activating microglia. The objective of the current study was to examine the levels of the serum TNF-α and CCL2 (Chemokine (C-C motif) ligand 2), also known as MCP-1 (Monocyte Chemoattractant Protein-1), in PD patients compared with healthy controls. We also investigated the associations between the serum levels of these two inflammatory mediators and a number of clinical symptoms, in particular, disease severity and cognition. Such an assessment may point to their prognostic value and provide some treatment hints. PD patients with advanced stage on the Hoehn–Yahr scale showed an increase in TNF-α levels compared with PD patients with stages 1 and 2 (p = 0.01). Additionally, the UPDRS score was significantly associated with TNF-α levels. CCL2 levels, however, showed no significant associations.     

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.     

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.     

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.