Ba-DOPED ZnO MATERIALS: A DFT SIMULATION TO INVESTIGATE THE DOPING EFFECT ON FERROELECTRICITY

ZnO is a semiconductor material largely employed in the development of several electronic and optical devices due to its unique electronic, optical, piezo-, ferroelectric and structural properties. This study evaluates the properties of Ba-doped wurtzite-ZnO using quantum mechanical simulations based on the Density Functional Theory (DFT) allied to hybrid functional B3LYP. The Ba-doping caused increase in lattice parameters and slight distortions at the unit cell angle in a wurtzite structure. In addition, the doping process presented decrease in the band-gap (Eg) at low percentages suggesting band-gap engineering. For low doping amounts, the wavelength characteristic was observed in the visible range; whereas, for middle and high doping amounts, the wavelength belongs to the Ultraviolet range. The Ba atoms also influence the ferroelectric property, which is improved linearly with the doping amount, except for doping at 100% or wurtzite-BaO. The ferroelectric results indicate the ZnO:Ba is an strong option to replace perovskite materials in ferroelectric and flash-type memory devices.

Synthesis and characterization of Fe(III)-doped ceramic membranes of titanium dioxide and its application in photoelectrocatalysis of a textile dye

Pure and Fe(III)-doped TiO2 suspensions were prepared by the sol gel method with the use of titanium isopropoxide (Ti(OPri)4) as precursor material. The properties of doped materials were compared to TiO2 properties based on the characterization by thermal analysis (TG-DTA and DSC), X-ray powder diffractometry and spectroscopy measurements (FTIR). Both undoped and doped TiO2 suspensions were used to coat metallic substrate as a mean to make thin-film electrodes. Thermal treatment of the precursors at 400ºC for 2 h in air resulted in the formation of nanocrystalline anatase TiO2. The thin-film electrodes were tested with respect to their photocatalytic performance for degradation of a textile dye in aqueous solution. The plain TiO2 remains as the best catalyst at the conditions used in this report.

Evaluation of covering materials in individual shelters and its effects on physiological responses and performance of dairy calves

In Tropical regions, the animal performance is often affected by climate conditions. This study aimed to evaluate covering materials in individual shelters, normally used to house dairy calves, and its influence on the calves physiology and performance. The design used was completely randomized, with a 2x3 factorial arrangement to compare the averages of 5% through the Tukey's test, i.e., both genders- and three types of covering in the shelters (Z - zinc; AC - asbestos cement; and WPAC - white-painted asbestos cement). Parameters evaluated included daily weight gain (DWG), dry matter intake (DMI), feed conversion (FC), rectal temperature (RT), and respiratory frequency (RF). Results showed significant differences (P < 0.05) among males (1.04kg/day) and females (0.74kg/day) for DWG and interaction between gender and treatment (P < 0.05) for zinc covering (0.562kg/day for females and 1.120kg/day for males). Significant differences were also observed in FI of animals housed under shelters with the covering of zinc (48.35kgDM/day for females and 96.91 kgDM/day for males). There were no significant differences (P > 0.05) in the FC and the RT, and there were significant differences (P < 0.05) for RF in the Z treatments (56.9 mov.min-1), WPAC (62.2 mov.min-1) and FC (70.25 mov.min-1). It was concluded that different covering materials did not affect performance and dry matter intake of dairy calves. However, the animals' physiology of thermoregulation was altered by the different covering materials used in individual shelters.

Thermal comfort in reduced models of broilers' houses, under different types of roofing materials

The research was developed to evaluate the use of different types of roofing materials regularly used in poultry houses. Measurements of thermal comfort were made through the use of techniques such as the Black Globe and Humidity Index (BGHI), the Thermal Heat Load (THL) and Enthalpy (H). Conducted in the State University of Goiás, during the months of April and May, 2011, the experiment was composed of five different treatments: AC - Asbestos cement tiles, BA -Bamboo tiles, BAP - Bamboo tiles painted in white, FB -Vegetable fiber tiles and bitumen, FBP -Vegetable fiber tiles and bitumen painted in white. The experiment consisted in 15 repetitions, which were considered the different days of measurements taken. Throughout the studied period, the time of the day considered the least comfortable was the one observed at 2:00pm, and the coverage of vegetable fiber and bitumen showed the highest value of BGHI (84.1) when compared to other types of coverage, characterizing a situation of lower thermal comfort, and no difference was found for THL and H on treatments in the studied region.

Evaluation of roof slope and exposure with different roofing materials in reduced models of animal production facilities in spring and summer

The present study was conducted at the Department of Rural Engineering and the Department of Animal Morphology and Physiology of FCAV/Unesp, Jaboticabal, SP, Brazil. The objective was to verify the influence of roof slope, exposure and roofing material on the internal temperature of reduced models of animal production facilities. For the development of the research, 48 reduced and dissemble models with dimensions 1.00 × 1.00 × 0.50 m were used. The roof was shed-type, and the models faced to the North or South directions, with 24 models for each side of exposure. Ceramic, galvanized-steel and fibro tiles were used to build the roofs. Slopes varied between 20, 30, 40 and 50% for the ceramic tile and 10, 30, 40 and 50% for the other two. Inside the models, temperature readings were performed at every hour, for 12 months. The results were evaluated in a general linear model in a nested 3 × 4 × 2 factorial arrangement, in which the effects of roofing material and exposure were nested on the factor Slope. Means were compared by the Tukey test at 5% of probability. After analyzing the data, we observed that with the increase in the slope and exposure to the South, there was a drop in the internal temperature within the model at the geographic coordinates of Jaboticabal city (SP/Brazil).

Internal ambience of beehives Apis mellifera with different colors and roofing materials in the sub middle of the São Francisco Valley

ABSTRACTThe current study aimed to evaluate the influence of three colors and two types of roofing materials under the internal temperature of bee colonies Apis mellifera. The experiment was conducted at the Agricultural Sciences Campus at the Federal University of Sao Francisco Valley located in Petrolina-PE, in November and December 2013, using 24 colonies housed in Langstroth hives. The experiment was a completely randomized factorial design (3x2) with three colors of box (blue, white, and traditional) and two types of cover (with and without the use of plaster) with six treatments and four replications. The internal temperature dates of the colonies were hourly recorded, during 24 hours, and surface temperatures were hourly recorded between 08h00 and 17h00. The highest values for surface and internal temperature were registered in the blue painted boxes without the use of plasterboard, and the blue painted boxes covered with plasterboard respectively. However, the lowest values ​​were found in the white painted hives and hives that have not received the plasterboard. It is recommended to paint boxes with bright colors, and the use of plasterboard had no effect in reducing the internal temperature.

Single access laparoscopic cholecystectomy: technique without the need for special materials and with better ergonomics

The authors describe a surgical technique which allows, without increasing costs, to perform laparoscopic cholecystectomy with a single incision, without using specific materials and with better surgical ergonomics. The technique consists of a longitudinal umbilical incision, navel detachment, use of a permanent 10mm trocar and two clamps directly and bilaterally through the aponeurosis without the use of 5mm trocars, transcutaneous gallbladder repair with straight needle cotton suture, ligation with unabsorbable suture and umbilical incision for the specimen extraction. The presented technique enables the procedure with conventional and permanent materials, improving surgical ergonomics, with safety and aesthetic advantages.

Flows of Bingham Materials Through Ideal Porous Media: an Experimental and Theoretical Study

The flow of Bingham liquids through porous media has been studied. Experiments have been performed to determine the flow rate / pressure drop relationship for the flow of a grease of Binghamian rheological behavior through an array of rods of circular cross section. The yield stress and plastic viscosity of the grease have been determined with the aid of a controlled stress rotational rheometer. To investigate a wider range of the flow parameters, the mass and momentum conservation equations have been solved numerically, in conjunction with the generalized Newtonian constitutive law and the bi-viscosity model. The finite volume method has been employed to obtain the numerical solution. These numerical results also yielded a flow rate / pressure drop relationship, which is in very good agreement with the experimental results. A capillaric theory has been developed to determine an analytical relationship between the flow rate and pressure drop for flows of Bingham liquids through porous media. It is shown that the predictions of this theory are in good agreement with the experimental and numerical results.

A method to determine volatile contaminants in polyethylene terephthalate (PET) packages by HDC-GC-FID and its application to post-consumer materials

A simple and low cost method to determine volatile contaminants in post-consumer recycled PET flakes was developed and validated by Headspace Dynamic Concentration and Gas Chromatography-Flame Ionization Detection (HDC-GC-FID). The analytical parameters evaluated by using surrogates include: correlation coefficient, detection limit, quantification limit, accuracy, intra-assay precision, and inter-assay precision. In order to compare the efficiency of the proposed method to recognized automated techniques, post-consumer PET packaging samples collected in Brazil were used. GC-MS was used to confirm the identity of the substances identified in the PET packaging. Some of the identified contaminants were estimated in the post-consumer material at concentrations higher than 220 ng.g-1. The findings in this work corroborate data available in the scientific literature pointing out the suitability of the proposed analytical method.

Effect of adding unconventional raw materials on the technological properties of rice fresh pasta

The aim of this study was to develop fettuccini type rice fresh pasta by cold extrusion. To produce the pasta, a 2² Central Composite Rotational Design was used, in which the effects of the addition of pre-gelatinized rice flour - PGRF (0-60%) and modified egg albumin - MEA (0-10%) were studied. The dependent variables were the results of the cooking test and of the instrumental texture. The optimum cooking time for all of the formulations of rice fresh pasta was 3 minutes. MEA had a greater effect on increasing the weight of the pasta when compared to that of PGRF. It was found that with the addition of PGRF increase in loss of solids in cooking water, whereas MEA exerted the opposite effect on this parameter. Moreover, the maximum value of MEA (10%) had an optimum effect on pasta firmness, while PGRF had a negative effect on this parameter. The maximum values of PGRF and MEA reduced the stickiness of the pasta. Based on these results and on the parameters considered as most important, the rice pasta with the best technological characteristics was that with the maximum levels of MEA (10%) and no addition of PGRF (0%). This product was submitted to sensory and microbiological analyses, with good results.

Characterization of new sources of derivative starches as wall materials of essential oil by spray drying

Starch derivatives of taro (Colocasia esculenta L. Schott) and rice were characterized as wall materials of orange oil (d-limonene) by spray drying. Native starches were initially hydrolyzed with HCl and then esterified. Succinylated starches were modified using a conventional method in a slurry and were extruded; whereas, the phosphorylated starches were modified using the extrusion process. Viscosity and solubility of starches reduced after acid hydrolysis, derivatization, and extrusion. The particle size of the wall materials ranged between 20.05 and 31.81 µm. The encapsulation efficiency of the phosphorylated taro, rice, and waxy corn starches was 96.9, 96.8 and 97.1% respectively, and 98.6, 98.1, and 98.8% for succynilated taro, rice, and waxy corn starches, respectively. Starch derivatives of taro and rice could potentially be used as wall materials of orange oil d-limonene.

Effect of different covering materials used during the pre-harvest stage on the quality and storage life of 'Sultana Seedless' grapes

Covering the grapevine rows to delay the maturity and harvest date became widely practiced in 'Sultana Seedless' vineyards. The research work was conducted to test different cover materials (polypropylene cross-stitch, life pack, mogul and transparent polyethylene) in respect to their effects on grape quality and storability. Harvest was delayed for one month in covered plots. Harvested grapes were packed and transferred to storage rooms after pre-cooling. During packing, the grape clusters were sealed in PE bags with sulphur dioxide pads. The grapes were stored for 90 days in the first year and 120 days in the second year, at -0.5ºC and 90% RH. All the grape clusters were healthy and of marketable quality after 90 days of storage period. In the first year, at the end of the storage, only those grapes harvested from the rows covered with polypropylene cross-stitch showed fungal growth. The sensory quality scores revealed a lower level of preference after 120 days of storage. The effects of the covering materials tested were similar regarding grape quality and storage performance except the transparent polyethylene that damaged the grapevine leaves.