Evaluating Parallel Simulated Evolution Strategies for VLSI Cell Placement

Simulated Evolution (SimE) is an evolutionary metaheuristic that has produced results comparable to well established stochastic heuristics such as SA, TS and GA, with shorter runtimes. However, for optimization problems with a very large set of elements, such as in VLSI cell placement and routing, runtimes can still be very large and parallelization is an attractive option for reducing runtimes. Compared to other metaheuristics, parallelization of SimE has not been extensively explored. This paper presents a comprehensive set of parallelization approaches for SimE when applied to multiobjective VLSI cell placement problem. Each of these approaches are evaluated with respect to SimE characteristics and the constraints imposed by the problem instance. Conclusions drawn can be extended to parallelization of SimE when applied to other optimization problems.      

Comparison of α-chloralose,medetomidine and isoflurane anesthesia for functional connectivity mapping in the rat

Functional connectivity measures based upon low-frequency blood-oxygenation-level-dependent functional magnetic resonance imaging (BOLD fMRI) signal fluctuations have become a widely used tool for investigating spontaneous brain activity in humans. Still unknown, however, is the precise relationship between neural activity, the hemodynamic response and fluctuations in the MRI signal. Recent work from several groups had shown that correlated low-frequency fluctuations in the BOLD signal can be detected in the anesthetized rat — a first step toward elucidating this relationship. Building on this preliminary work, through this study, we demonstrate that functional connectivity observed in the rat depends strongly on the type of anesthesia used. Power spectra of spontaneous fluctuations and the cross-correlation-based connectivity maps from rats anesthetized with α-chloralose, medetomidine or isoflurane are presented using a high-temporal-resolution imaging sequence that ensures minimal contamination from physiological noise. The results show less localized correlation in rats anesthetized with isoflurane as compared with rats anesthetized with α-chloralose or medetomidine. These experiments highlight the utility of using different types of anesthesia to explore the fundamental physiological relationships of the BOLD signal and suggest that the mechanisms contributing to functional connectivity involve a complicated relationship between changes in neural activity, neurovascular coupling and vascular reactivity.     

Influences of Co doping on the structural and optical properties of ZnO nanostructured

Pure and Co-doped ZnO nanostructured samples have been synthesized by a chemical route. We have studied the structural and optical properties of the samples by using X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM), field-emission transmission electron microscope (FETEM), energy-dispersive X-ray (EDX) analysis and UV–VIS spectroscopy. The XRD patterns show that all the samples are hexagonal wurtzite structures. Changes in crystallite size due to mechanical activation were also determined from X-ray measurements. These results were correlated with changes in particle size followed by SEM and TEM. The average crystallite sizes obtained from XRD were between 20 to 25 nm. The TEM images showed the average particle size of undoped ZnO nanostructure was about 20 nm whereas the smallest average grain size at 3% Co was about 15 nm. Optical parameters such as absorption coefficient (α), energy band gap (E _g ), the refractive index (n), and dielectric constants (σ) have been determined using different methods.     

Creeping flow analysis of slightly non-Newtonian fluid in a uniformly porous slit

This paper provides the analysis of the steady, creeping flow of a special class of slightly viscoelastic, incompressible fluid through a slit having porous walls with uniform porosity. The governing two dimensional flow equations along with non-homogeneous boundary conditions are non-dimensionalized. Recursive approach is used to solve the resulting equations. Expressions for stream function, velocity components, volumetric flow rate, pressure distribution, shear and normal stresses in general and on the walls of the slit, fractional absorption and leakage flux are derived. Points of maximum velocity components are also identified. A graphical study is carried out to show the effect of porosity and non-Newtonian parameter on above mentioned resulting expressions. It is observed that axial velocity of the fluid decreases with the increase in porosity and non-Newtonian parameter. The outcome of this theoretical study has significant importance both in industry and biosciences.     

Helical flow of an Oldroyd-B fluid due to a circular cylinder subject to time-dependent shear stresses

Exact solutions corresponding to the unsteady helical flow of an Oldroyd-B fluid due to an infinite circular cylinder subject to torsional and longitudinal time-dependent shear stresses are established using Hankel transforms. These solutions, presented under series form in terms of Bessel functions J ₀(·), J ₁(·) and J ₂(·), can be easily specialized to give the similar solutions for Maxwell, Second grade and Newtonian fluids performing the same motion. Some characteristics of the motion, as well as the influence of pertinent parameters on the velocity profiles, are underlined by graphical illustrations.     

On the energetic balance for the flow of an Oldroyd-B fluid induced by a constantly accelerating plate

Exact and approximate expressions are established for dissipation, the power due to the shear stress at the wall and the boundary layer thickness corresponding to the motion of an Oldroyd-B fluid induced by a constantly accelerating plate. The similar expressions for Maxwell, Newtonian and second grade fluids, performing the same motion, are obtained as limiting cases of our general results. The specific features of the four models are emphasized by means of the asymptotic approximations.     

Insights into the binding mechanism of 2,5-substituted 4-pyrone derivatives as therapeutic agents for fused dimeric interactions: A computational study using QTAIM,dynamics and docking simulations of protein–ligand complexes

The study is focused on examining 2,5-Substituted 4-Pyrone based compounds through quantum chemical and topological analysis techniques, evaluating the properties of these compounds, including their geometrical structure, intermolecular interactions and assess their possible applications. Additionally, the molecular stability, charge delocalization and UV-Visible data was investigated and compared with the calculated energy and oscillator strength using the TD-DFT approach. The researchers observed that charge transfer occurred within the molecule, indicated by the HOMO and LUMO energies. It was also found that the compound exhibited planarity and higher chemical reactivity. The calculated Mulliken charges and molecular electrostatic potential were used to interpret the Fukui index data that help predict reactive sites and understand the reactivity patterns of specific atoms in a compound. The study is aimed to understand the role of NCI in the molecule under investigation using electron localization functions and localized orbit locator methods. Molecular docking and ADMET studies were conducting involving a detailed MD simulation of a protein-ligand complex using the OPLS3e force field and the SPC water model. These findings could prove to be beneficial in developing new therapeutic agents with various pharmacological effects and potential toxicities.     

Mechanical behavior of Cu-Zr bulk metallic glasses （BMGs）： A molecular dynamics approach

In the present work, three-dimensional molecular dynamics simulation is carried out to elucidate the nanoindentation behaviors of CuZr Bulk metallic glasses (BMGs). The substrate indenter system is modeled using hybrid interatomic potentials including both many-body Finnis Sinclair (FS) and two-body Morse potentials. A spherical rigid indenter (diameter = 60(1 = 10-10 m)) is employed to simulate the indentation process. Three samples of BMGs including Cu25Zr75 , Cu50Zr50 , and Cu75Zr25 are designed and the metallic glasses are formed by rapid cooling from the melt state at about 2000 K. The radial distribution functions are analyzed to reveal the dynamical evolution of the structure of the atoms with different compositions and different cooling rates. The mechanical behavior can be well understood in terms of load-depth curves and Hardness-depth curves during the nanoindentation process. Our results indicate a positive linear relationship between the hardness and the Cu concentration of the BMG sample. To reveal the importance of cooling rate provided during the processing of BMGs, we investigate the indentation behaviors of Cu50Zr50 at three different quenching rates. Nanoindentation results and radial distribution function (RDF) curves at room temperature indicate that a sample can be made harder and more stable by slowing down the quenching rate.     

Solvatochromism of 2‐(N,N‐dimethylamino)‐7‐nitrofluorene and the natural dye β‐carotene: application for the determination of solvent dipolarity and polarizability

The effects of solvents on chemical phenomena (rate and equilibrium constants, spectroscopic transitions, etc.) are conveniently described by solvation free‐energy relationships that take into account solvent acidity, basicity and dipolarity/polarizability. The latter can be separated into its components by manipulating the UV–vis spectra of two solvatochromic probes, 2‐(N,N‐dimethylamino)‐7‐nitrofluorene (DMANF) and a di‐(tert‐butyl)‐tetramethyl docosanonaen probe (ttbP9) whose synthesis is laborious and expensive. Recently, we have shown that the natural dye β‐carotene can be conveniently employed instead of ttbP9 for the determination of solvent polarizability (SP) of 76 molecular solvents and four ionic liquids. In the present work, we report the polarizabilities of further 24 solvents. Based on the solvatochromism of β‐carotene and DMANF, we have calculated solvent dipolarity (SD) for 103 protic and aprotic molecular solvents, and ionic liquids. The dependence of SD and SP on the number of carbon atoms in the acyl‐ or alkyl group of several homologous series (alcohols; 2‐alkoxyethanols; carboxylic acid‐ anhydrides, and esters, ionic liquids) is calculated and briefly discussed. Copyright © 2013 John Wiley & Sons, Ltd.