Generalized simulated annealing: Application to silicon clusters

We have compared the recently introduced generalized simulated annealing (GSA) with conventional simulated annealing (CSA). GSA was tested as a tool to obtain the ground-state geometry of molecules. We have used selected silicon clusters (Sin, n=4-7,10) as test cases. Total energies were calculated through tight-binding molecular dynamics. We have found that the replacement of Boltzmann statistics (CSA) by Tsallis's statistics (GSA) has the potential to speed up optimizations with no loss of accuracy. Next, we applied the GSA method to study the ground-state geometry of a 20-atom silicon cluster. We found an original geometry, apparently lower in energy than those previously described in the literature.

Combining genetic algorithm and simulated annealing: A molecular geometry optimization study

We introduce a new hybrid approach to determine the ground state geometry of molecular systems. Firstly, we compared the ability of genetic algorithm (GA) and simulated annealing (SA) to find the lowest energy geometry of silicon clusters with six and 10 atoms. This comparison showed that GA exhibits fast initial convergence, but its performance deteriorates as it approaches the desired global extreme. Interestingly, SA showed a complementary convergence pattern, in addition to high accuracy. Our new procedure combines selected features from GA and SA to achieve weak dependence on initial parameters, parallel search strategy, fast convergence and high accuracy. This hybrid algorithm outperforms GA and SA by one order of magnitude for small silicon clusters (Si6 and Si10). Next, we applied the hybrid method to study the geometry of a 20-atom silicon cluster. It was able to find an original geometry, apparently lower in energy than those previously described in literature. In principle, our procedure can be applied successfully to any molecular system. © 1998 Elsevier Science B.V.

Structural and electrical properties of strontium barium niobate thin films crystallized by conventional furnace and rapid-thermal annealing process

Strontium barium niobate (SBN) thin films were crystallized by conventional electric furnace annealing and by rapid-thermal annealing (RTA) at different temperatures. The average grain size of films was 70 nm and thickness around 500 nm. Using x-ray diffraction, we identified the presence of polycrystalline SBN phase for films annealed from 500 to 700 °C in both cases. Phases such as SrNb2O6 and BaNb2O6 were predominantly crystallized in films annealed at 500 °C, disappearing at higher temperatures. Dielectric and ferroelectric parameters obtained from films crystallized by conventional furnace and RTA presented essentially the same values.

Dietary electrolyte balance for broiler chickens under moderately high ambient temperatures and relative humidities

Cobb male broiler chicks (1,000) on new litter were used to evaluate effects of dietary electrolyte balance [DEB; Na+K-Cl, milliequivalents (mEq) per kilogram] under tropical summer conditions. Corn-soybean meal-based mash diets had salt (NaCl) alone or in combination with one or more supplements: sodium bicarbonate (NaHCO3), ammonium chloride (NH4Cl), or potassium bicarbonate (KHCO3). A completely randomized design, with five starter and grower feed treatments (control: 145, then 130 mEq/kg; or 0, 120, 240, or 360 mEq/kg throughout) and four replicate pens (1.5 x 3.2 m) per treatment (50 chicks per pen), was used. Diets were analyzed for Na, K, and Cl for confirmation. There were no significant (P < 0.05) effects of treatments on mortality or processing parameters. Water intake increased linearly with increasing DEB, giving higher litter moistures and lower rectal temperatures. Blood HCO3 and pH increased with the highest DEB (360 mEq/kg) causing respiratory alkalosis. The DEB of 240 mEg/kg gave best weight gain and feed conversion ratio, and ideal DEB predicted by regression analyses were 186 and 197 mEq/kg from 0 to 21 d of age and 236 and 207 mEq/kg of feed from 0 to 42 d, respectively. These DEB corresponded to estimated (interpolated) values in predicted optimal 186 to 197 mEq/kg starter of Na 0.38 to 0.40% and Cl 0.405 to 0.39% (K = 0.52%), in 207 to 236 mEq/kg starter, Na 0.409 to 0.445% and Cl 0.326 to 0.372% Cl (K = 0.52%), and in grower Na 0.41 to 0.445%, Cl 0.315 to 0.267% (K = 0.47%).

Colorimetric determination of ambient ozone using indigo blue droplet

A simple and sensitive method based on a liquid droplet is described for the measurement of atmospheric ozone. A 30 μL drop of indigo blue solution is suspended in a flowing-air sampling stream. The ozone collected reacts with the indigo solution resulting in its decolorization. The colorimetric sensor is composed of two optical fibers and the source of monochromatic light was a red LED (625 nm). The calibration curve was constructed with ozone standard concentrations ranging from 37 - 123 ppbv. The detection limit achieved was 7.3 ppbv. The method considered here showed itself to be easy to apply with a fast response and a total analysis time of only 5 minutes.

Self-optimization of dense wireless sensor networks based on simulated annealing

Wireless sensor network (WSN) Is a technology that can be used to monitor and actuate on environments in a non-intrusive way. The main difference from WSN and traditional sensor networks is the low dependability of WSN nodes. In this way, WSN solutions are based on a huge number of cheap tiny nodes that can present faults in hardware, software and wireless communication. The deployment of hundreds of nodes can overcome the low dependability of individual nodes, however this strategy introduces a lot of challenges regarding network management, real-time requirements and self-optimization. In this paper we present a simulated annealing approach that self-optimize large scale WSN. Simulation results indicate that our approach can achieve self-optimization characteristics in a dynamic WSN. © 2012 IEEE.

Extrapolation of zircon fission-track annealing models

One of the purposes of this study is to give further constraints on the temperature range of the zircon partial annealing zone over a geological time scale using data from borehole zircon samples, which have experienced stable temperatures for ∼1 Ma. In this way, the extrapolation problem is explicitly addressed by fitting the zircon annealing models with geological timescale data. Several empirical model formulations have been proposed to perform these calibrations and have been compared in this work. The basic form proposed for annealing models is the Arrhenius-type model. There are other annealing models, that are based on the same general formulation. These empirical model equations have been preferred due to the great number of phenomena from track formation to chemical etching that are not well understood. However, there are two other models, which try to establish a direct correlation between their parameters and the related phenomena. To compare the response of the different annealing models, thermal indexes, such as closure temperature, total annealing temperature and the partial annealing zone, have been calculated and compared with field evidence. After comparing the different models, it was concluded that the fanning curvilinear models yield the best agreement between predicted index temperatures and field evidence. © 2012 Elsevier Ltd. All rights reserved.

Structural characteristics of P123-modified supercritical drying and hydrophobic ambient pressure drying aerogels

Supercritical drying (SCD) and hydrophobic ambient pressure drying (APD) aerogels were prepared from hydrolysis of tetraethoxysilane in solutions of poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) (P123) in the range of composition below the threshold for the ordered mesoporous silica precipitation. APD was carried out after silylation of wet gels with trimethylchlorosilane (TMCS) or hexamethyldisilazane (HMDZ). The samples were analyzed by small-angle X-ray scattering and nitrogen adsorption. Wet gels are formed by mass-fractal domains, with fractal dimension close to 2, and larger pores superposing the pores belonging to the fractal structure in case of high P123 concentrations. Aerogels exhibit smaller-sized mass-fractal domains with larger mass-fractal dimension accounting for some porosity elimination on drying. The pore volume of the aerogels increases significantly with the P123 amount and it is even larger in the APD aerogels than in the SCD aerogels. © 2013 Elsevier B.V. All rights reserved.

An analysis of diurnal cycles in the mass of ambient aerosols derived from biomass burning and agro-industry

Strong diurnal cycles in ambient aerosol mass were observed in a rural region of Southeast Brazil where the trace composition of the lower troposphere is governed mainly by emissions from agro-industry. An optical particle counter was used to record size-segregated aerosol number concentrations between 13 May 2010 and 15 March 2011. The data were collected every 10 min and used to calculate aerosol mass concentrations. Aerosol samples were also collected onto filters during daytime (10:00-16:00 local time) and nighttime (20:00-06:00) periods, for subsequent analysis of soluble ions and water-soluble organic carbon. Biomass burning aerosols predominated during the dry winter, while secondary aerosols were most important in the summer rainy season. In both seasons, diurnal cycles in calculated aerosol mass concentrations were due to the uptake of water by the aerosols and, to a lesser extent, to emissions and secondary aerosol formation. In neither season could the observed mass changes be explained by changes in the depth of the boundary layer. In the summer, nighttime increases in aerosol mass ranged from 2.7-fold to 81-fold, depending on particle size, while in the winter, the range was narrower, from 2.2-fold to 9.5-fold, supporting the possibility that the presence of particles derived from biomass burning reduced the overall ability of the aerosols to absorb water. Key Points Diurnal cycle of agro-industrial aerosol mass governed by humidity Biomass burning emissions act to suppress particle growth Need to consider diurnal mass cycles in aerosol dry deposition models ©2013. American Geophysical Union. All Rights Reserved.

Simulated annealing for building roof contours identification from lidar data

This paper proposes a method by simulated annealing for building roof contours identification from LiDAR-derived digital elevation model. Our method is based on the concept of first extracting aboveground objects and then identifying those objects that are building roof contours. First, to detect aboveground objects (buildings, trees, etc.), the digital elevation model is segmented through a recursive splitting technique followed by a region merging process. Vectorization and polygonization are used to obtain polyline representations of the detected aboveground objects. Second, building roof contours are identified from among the aboveground objects by optimizing a Markov-random-field-based energy function that embodies roof contour attributes and spatial constraints. The solution of this function is a polygon set corresponding to building roof contours and is found by using a minimization technique, like the Simulated Annealing algorithm. Experiments carried out with laser scanning digital elevation model showed that the methodology works properly, as it provides roof contour information with approximately 90% shape accuracy and no verified false positives.

Solução do problema de corte bidimensional de peças retângulares tipo não-guilhotinado usando simulated annealing

Pós-graduação em Engenharia Elétrica - FEIS

Investigação das propriedades ópticas e elétricas em alexandrita natural e sintética

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudo do annealing de traços de fissão em epídoto

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudo das características estruturais de amidos: efeito do 'annealing', da hidrólise ácida e da hidrólise enzimática

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Effect of feeding whole linseed as a source of polyunsaturated fatty acids on performance and egg characteristics of laying hens kept at high ambient temperature

The present study was conducted to evaluate the effects of feeding whole linseed on the laying performance and egg characteristics in laying hens kept at high ambient environmental temperatures (average 34 degrees C; the diurnal temperature range 26 degrees C to 41 degrees C). Two hundred and forty 38-wk-old white Leghorn laying hens were fed diets containing 0, 5, 10 or 15% whole linseed (as a source of n-3 polyunsaturated fatty acids) for a period of 12 weeks. Egg production was recorded daily, while feed intake and egg characteristics were monitored on weekly basis. The results of the study demonstrated that egg production and feed intake decreased, while feed conversion ratio (FCR) per dozen of eggs increased (p <= 0.05) with increasing dietary linseed levels. Egg weight, yolk weight, albumen height, eggshell weight, and eggshell thickness were not influenced (p > 0.05) by linseed levels in the diets offered to the laying hens. The results of the present trial suggest that feeding linseed to the laying hens in hot climates has no detrimental effects on egg characteristics, but has suppressive effects on egg production, feed intake and feed efficiency of laying hens.