An adaptive differential evolution algorithm with novel mutation and crossover strategies for global numerical optimization

Differential evolution (DE) is one of the most powerful stochastic real parameter optimizers of current interest. In this paper, we propose a new mutation strategy, a fitness-induced parent selection scheme for the binomial crossover of DE, and a simple but effective scheme of adapting two of its most important control parameters with an objective of achieving improved performance. The new mutation operator, which we call DE/current-to-gr_best/1, is a variant of the classical DE/current-to-best/1 scheme. It uses the best of a group (whose size is q% of the population size) of randomly selected solutions from current generation to perturb the parent (target) vector, unlike DE/current-to-best/1 that always picks the best vector of the entire population to perturb the target vector. In our modified framework of recombination, a biased parent selection scheme has been incorporated by letting each mutant undergo the usual binomial crossover with one of the p top-ranked individuals from the current population and not with the target vector with the same index as used in all variants of DE. A DE variant obtained by integrating the proposed mutation, crossover, and parameter adaptation strategies with the classical DE framework (developed in 1995) is compared with two classical and four state-of-the-art adaptive DE variants over 25 standard numerical benchmarks taken from the IEEE Congress on Evolutionary Computation 2005 competition and special session on real parameter optimization. Our comparative study indicates that the proposed schemes improve the performance of DE by a large magnitude such that it becomes capable of enjoying statistical superiority over the state-of-the-art DE variants for a wide variety of test problems. Finally, we experimentally demonstrate that, if one or more of our proposed strategies are integrated with existing powerful DE variants such as jDE and JADE, their performances can also be enhanced.     

Low temperature synthesis of bismuth ferrite nanoparticles by a ferrioxalate precursor method

The synthesis of bismuth ferrite by solid-state reaction of Bi₂O₃ and Fe₂O₃ results in the formation of multiphase products. Even coprecipitation followed by calcination leads to the formation of impurity phases. Here, we report the synthesis of magnetoelectric bismuth ferrite by a ferrioxalate precursor method. In this process, bismuth ferrite, synthesized through solutions of some specific salts led to the formation of phase pure (perovskite) nanocrystalline powder (11–22 nm as evident from X-ray diffraction analysis) at a temperature of 600 °C. The synthesized powders were characterized by X-ray diffractometry, thermogravimetry and differential thermal analysis, Fourier transformation infrared spectroscopy and scanning electron microscopy. The synthesis route is simple, energy saving and cost-effective. Such nanosized bismuth ferrite powder may have a potential application in making lead free piezoelectric materials for actuators as well as magnetoelectric sensors.     

A UML-based pattern specification technique

Informally described design patterns are useful for communicating proven solutions for recurring design problems to developers, but they cannot be used as compliance points against which solutions that claim to conform to the patterns are checked. Pattern specification languages that utilize mathematical notation provide the needed formality, but often at the expense of usability. We present a rigorous and practical technique for specifying pattern solutions expressed in the unified modeling language (UML). The specification technique paves the way for the development of tools that support rigorous application of design patterns to UML design models. The technique has been used to create specifications of solutions for several popular design patterns. We illustrate the use of the technique by specifying observer and visitor pattern solutions.     

Thermodynamic and kinetic modeling of the Cr-Ti-V system

A synergistic approach of thermodynamic and kinetic modeling is applied to the Cr-Ti-V system. To assist the design of (α+β) and β titanium alloys for structural applications and vanadium alloys for fusion reactor applications, a set of self-consistent and optimized thermodynamic model parameters is presented to describe the phase equilibria of the Cr-Ti, Cr-V, Ti-V, and Cr-Ti-V systems. The Laves phases, α-Cr₂Ti, β-Cr₂Ti, and γ-Cr₂Ti, are described by a two-sublattice model assuming antistructure atoms on both sublattices. The calculated thermodynamic quantities and phase diagrams are in good accord with the corresponding experimental data. To assist the simulation of the kinetics of diffusional transformations in bodycentered cubic (bcc) alloys, the atomic mobilities of Cr, Ti, and V are modeled. A set of optimized mobility parameters is given. Very good agreement between the calculated and experimental diffusivities was found.     

Molecular Modeling Studies of N-phenylpyrimidine-4-amine Derivatives for Inhibiting FMS-like Tyrosine Kinase-3

Overexpression and frequent mutations in FMS-like tyrosine kinase-3 (FLT3) are considered risk factors for severe acute myeloid leukemia (AML). Hyperactive FLT3 induces premature activation of multiple intracellular signaling pathways, resulting in cell proliferation and anti-apoptosis. We conducted the computational modeling studies of 40 pyrimidine-4,6-diamine-based compounds by integrating docking, molecular dynamics, and three-dimensional structure–activity relationship (3D-QSAR). Molecular docking showed that K644, C694, F691, E692, N701, D829, and F830 are critical residues for the binding of ligands at the hydrophobic active site. Molecular dynamics (MD), together with Molecular Mechanics Poison–Boltzmann/Generalized Born Surface Area, i.e., MM-PB(GB)SA, and linear interaction energy (LIE) estimation, provided critical information on the stability and binding affinity of the selected docked compounds. The MD study suggested that the mutation in the gatekeeper residue F691 exhibited a lower binding affinity to the ligand. Although, the mutation in D835 in the activation loop did not exhibit any significant change in the binding energy to the most active compound. We developed the ligand-based comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) models. CoMFA (q² = 0.802, r² = 0.983, and QF32 = 0.698) and CoMSIA (q² = 0.725, r² = 0.965 and QF32 = 0.668) established the structure–activity relationship (SAR) and showed a reasonable external predictive power. The contour maps from the CoMFA and CoMSIA models could explain valuable information about the favorable and unfavorable positions for chemical group substitution, which can increase or decrease the inhibitory activity of the compounds. In addition, we designed 30 novel compounds, and their predicted pIC₅₀ values were assessed with the CoMSIA model, followed by the assessment of their physicochemical properties, bioavailability, and free energy calculation. The overall outcome could provide valuable information for designing and synthesizing more potent FLT3 inhibitors.     

Rheology of short fiber filled thermoplastics

We examine the applicability of the conformation tensor to describe the fiber orientation and rheology of moderately concentrated fiber-filled thermoplastics subjected to large deformation flow. To retain computational simplicity, we assume a Newtonian matrix. We present a model that can account for orientation effects, Brownian motion, semiflexibility, and interactions through excluded volume effect, of the fibers. The model predicts a wide variety of rheological effects. We present predictions of steady shear viscosity, primary normal stress and the creep functions, as well as uniaxial elongational viscosity, due to the fibers. We have compared rheological data for 9.54 wt% carbon fibers in polyethylene and 30 wt% glass fibers in polypropylene, with the model predictions. By defining an “effective fiber concentration,” we have been able to correlate the model well with data. With fitting parameters from the steady state viscosity vs. shear rate data, we have been able to predict the steady state primary stress coefficient data as well as the creep data.     

Modification of jute by acrylic acid in the presence of Na3PO4 and K2S2O8 as catalysts under thermal treatment

Jute fabric was modified using acrylic acid (AA) as the finishing agent in the presence of K₂S₂O₈ and Na₃PO₄ catalysts separately or in selected combinations, employing a pad–dry–cure technique. Treatment with 10% acrylic acid at 30°C and at pH 7 produced optimum effects: a batching time of 45–60 min at 30°C, followed by drying of the batched fabric at 95°C for 5 min and curing of the dried fabric at 140°C for 5 min produced most balanced improvements in the textile related properties. Na₃PO₄ catalyst allowed esterification of AA with cellulosic, hemicellulosic, and lignin constituents of jute, and K₂S₂O₈ catalyst allowed radical polymerization of free acrylic acid or jute-bound acrylic acid moieties; the said processes ultimately lead to some degree of crosslinking of the chain polymers of jute. Examination of the surface morphology of untreated and treated jute fabrics by scanning electron microscopy revealed a good degree of masking effect on the unit cells of jute and intercellular regions by a cohesive film of polyacrylic acid or its salts, particularly when K₂S₂O₈ was used either alone or in combination with Na₃PO₄ as catalyst. © 1998 John Wiley & Sons, Inc. J Appl Polym Sci 68:63–74, 1998     

Interconnected operation of small-hydroelectric and diesel power systems

The paper deals with some aspects of the interconnected operation of small-hydroelectric and diesel power systems provided with classical controllers. A comprehensive procedure for optimizing the integral controller gain setting using an integral squared error (ISE) technique is suggested. Analysis reveals that the integral-derivative (ID) controller in the small-hydroelectric area and integral controller in the diesel area improves the system performance significantly as compared to that of integral control in both areas. Analysis also reveals that the continuous frequency and tie-power oscillations can completely be eliminated using an ID controller in the small-hydroelectric area. © 1998 John Wiley & Sons, Ltd.     

Effect of Sulfur Concentration on the Morphology of Carbon Nanofibers Produced from a Botanical Hydrocarbon

Carbon nanofibers (CNF) with diameters of 20–130 nm with different morphologies were obtained from a botanical hydrocarbon: Turpentine oil, using ferrocene as catalyst source and sulfur as a promoter by simple spray pyrolysis method at 1,000 °C. The influence of sulfur concentration on the morphology of the carbon nanofibers was investigated. SEM, TEM, Raman, TGA/DTA, and BET surface area were employed to characterize the as-prepared samples. TEM analysis confirms that as-prepared CNFs have a very sharp tip, bamboo shape, open end, hemispherical cap, pipe like morphology, and metal particle trapped inside the wide hollow core. It is observed that sulfur plays an important role to promote or inhibit the CNF growth. Addition of sulfur to the solution of ferrocene and turpentine oil mixture was found to be very effective in promoting the growth of CNF. Without addition of sulfur, carbonaceous product was very less and mainly soot was formed. At high concentration of sulfur inhibit the growth of CNFs. Hence the yield of CNFs was optimized for a given sulfur concentration.     

Separation and differential activation of rat liver cytosolic cholesteryl ester hydrolase,triglyceride lipase and retinyl palmitate hydrolase by cholestyramine and protein kinases

Cholesteryl ester hydrolase (CEH), triacylglycerol lipase (TGL) and retinyl palmitate hydrolase (RPH) were measured in 104,000 ×g supernatants from rat liver under optimal conditions for measurement of cytosolic CEH. Similar levels of hydrolytic activity were seen with oil droplet dispersions of cholesteryl oleate, trioleoylglycerol and retinyl palmitate. No cytosolic TGL activity was seen with substrate presented in the triton-albumin emulsion used for measurement of lipoprotein lipase-like TGL associated with hepatic plasma membrane. Cytosolic CEH, TGL and RPH were differentially partially purified by both ammonium sulfate precipitation and anion exchange fast protein liquid chromatography (FPLC). Of the three activities, only CEH was stimulated by cholestyramine feeding and by activators of protein kinases A and C. All three activities were inhibited by alkaline phosphatase treatment, although to different degrees. It is concluded that these activities are catalyzed by at least three differentially regulated enzymes with a high degree of specificity for their respective substrates.