Theoretical and experimental study of the relation between photoluminescence and structural disorder in barium and strontium titanate thin films

Thin films of barium and strontium titanate (BST), synthesized by the polymeric precursor solution and spin coated on [Pt (140nm)/Ti (10 nM)/SiO2(1000 nm)/Si] substrates were found to be photoluminescent at room temperature when heat treated below 973 K, i.e. before their crystallization. First principles quantum mechanical techniques, based on density functional theory (DFT) were employed to study the electronic structure of two periodic models: one is standing for the crystalline BST thin film and the other one for the structurally disordered thin film. The aim is to compare the photoluminescence (PL) spectra of the crystalline and disordered thin films with their UV-vis spectra and with their computed electronic structures. The calculations show that new localized states are created inside the band gap of the crystalline model, as predicted by the UV-vis spectra. The study of the charge repartition in the structure before and after deformation of the periodic model shows that a charge gradient appears among the titanate clusters. This charge gradient, together with the new localized levels, gives favorable conditions for the trapping of holes and electrons in the structure, and thus to a radiative recombination process. Our models are not only consistent with the experimental data, they also allow to explain the relations between structural disorder and photoluminescence at room temperature. (c) 2005 Elsevier Ltd. All rights reserved.

Photoluminescent property of mechanically milled BaWO4 powder

Crystalline BaWO4 (BWO) powder obtained by the polymeric precursor method was structurally disordered by means of high-energy mechanical milling. For the first time a strong and broad photoluminescence (PL) has been measured at room temperature for mechanically milled BWO powder and interpreted by ground-state quantum mechanical calculations in the density functional theory framework. Two periodic models have been studied; one representing the crystalline form and the other one representing the disordered BWO powder. These models allowed the calculation of electronic properties, which are consistent with the experimental results, showing that structural disorder in the lattice is an important condition to generate an intense and broad PL band. (c) 2006 Elsevier B.V. All rights reserved.

A new procedure to derive transmission-line parameters: Applications and restrictions

The objective of this paper is to show an alternative methodology to calculate transmission-line parameters per unit length. With this methodology, the transmission-line parameters can be obtained starting from impedances measured in one terminal of the line. First, the article shows the classical methodology to calculate frequency-dependent transmission-line parameters by using Carson's and Pollaczeck's equations for representing the ground effect and Bessel's functions to represent the skin effect. After that, a new procedure is shown to calculate frequency-dependent transmission-line parameters directly from currents and voltages of an existing line. Then, this procedure is applied in a two-phase and a three-phase transmission line whose parameters have been previously calculated by using the classical methodology. Finally, the results obtained by using the new procedure and by using the classical methodology are compared. The article shows simulations results for a typical frequency spectrum of switching transients (10 Hz to 10 kHz).

Progesterone upregulates GATA-1 on erythroid progenitors cells in liquid culture

Steroids hormones modify the hematological features of homozygous sickle cell disease, including the levels of fetal hemoglobin. We used semi-quantitative RT-PCR analysis of GATA-1, GATA-2, NF-E2, and gamma-globin mRNA levels in a two-phase liquid culture system of human adult erythroid cells in order to assay the effect of progesterone upon gene expression. The levels of expression of GATA-1 and gamma-globin mRNA were significantly increased in cells treated with progesterone compared to untreated cells (1.7- to 2.0-fold). Progesterone treatment did not produce any stimulatory effect upon GATA-2 and NF-E2 mRNA expression. Differences in the synthesis of HbF protein could not be detected by flow cytometry, although we observed a small difference in mean intensity fluorescence between cells treated and cells untreated with progesterone on days 7 and 9. Using anti-transferrin receptor and anti-glycophorin A antibodies, we verified that addition of progesterone did not cause any change in erythroid proliferation and differentiation. In conclusion, it is possible that the increased expression of gamma-globin mRNA after progesterone treatment observed in this study may be related to the increased GATA-1 mRNA expression. Interactions of the steroid receptors with the basal transcriptional machinery and with transcription factors might mediate their transcriptional effects. (C) 2002 Elsevier B.V. (USA).

Methods to estimate the number of surface nucleation sites on glass particles

Based on the Johnson-Mehl-Avrami-Kolmogorov (JMAK) theory, we propose two new models to describe the crystallisation kinetics of glass particles and use them to determine the density of nucleation sites, N(s), on glass powders. We tested these models with sintered compacts of diopside glass particles using sinter-crystallisation treatments at 825 degrees C (T(g)similar to 727 degrees C), that covered from null to almost 100% crystallised volume time fraction. We measured and compared the evolution of the crystallised volume fractions by optical microscopy and x-ray diffraction. Then we fit our expressions to experimental data using Ns and R (the average particle radius) as adjustable parameters. For comparison, we also fit to our data existing expressions that describe the crystallised volume fraction in glass powders. We demonstrate that all the methods allow one to estimate N(s) with reasonable accuracy. For our ground and water washed diopside glass powder, N(s) is between 10(10)-10(11) sites.m(-2). The reasonable agreement between experimental and adjusted R confirms the consistency of all five models tested. However, one of our equations does not require taking into account the change of crystallisation mode from 3-dimensional to 1-dimensional, and this is advantageous.

Challenges of modeling depth-integrated marine primary productivity over multiple decades: A case study at BATS and HOT

The performance of 36 models (22 ocean color models and 14 biogeochemical ocean circulation models (BOGCMs)) that estimate depth-integrated marine net primary productivity (NPP) was assessed by comparing their output to in situ (14)C data at the Bermuda Atlantic Time series Study (BATS) and the Hawaii Ocean Time series (HOT) over nearly two decades. Specifically, skill was assessed based on the models' ability to estimate the observed mean, variability, and trends of NPP. At both sites, more than 90% of the models underestimated mean NPP, with the average bias of the BOGCMs being nearly twice that of the ocean color models. However, the difference in overall skill between the best BOGCM and the best ocean color model at each site was not significant. Between 1989 and 2007, in situ NPP at BATS and HOT increased by an average of nearly 2% per year and was positively correlated to the North Pacific Gyre Oscillation index. The majority of ocean color models produced in situ NPP trends that were closer to the observed trends when chlorophyll-alpha was derived from high-performance liquid chromatography (HPLC), rather than fluorometric or SeaWiFS data. However, this was a function of time such that average trend magnitude was more accurately estimated over longer time periods. Among BOGCMs, only two individual models successfully produced an increasing NPP trend (one model at each site). We caution against the use of models to assess multiannual changes in NPP over short time periods. Ocean color model estimates of NPP trends could improve if more high quality HPLC chlorophyll-alpha time series were available.

Estudo de modelo alternativo para estimação de componentes de (co)variância e predição de valores genéticos de características de crescimento em bovinos da raça Nelore

The objectives of this study were to estimate genetic parameters for non-standardized weights at nursing (PR120), at weaning (PR240), at yearling (PR365) and at post yearling (PR550), and to predict EPD's (expected progeny differences) for these traits using records from 29,769 Nellores. Covariance components and genetic parameters were estimated by mixed-model methodology, REML, using an animal model. Models for PR120, PR240, PR365 and PR455 included the random direct and maternal animal effects, the dam permanent environmental effect and the error. Fixed effects were contemporary group (CG) and age of cow at parturition (CIVP) and the covariate age of the calf at measuring. Two additional models for PR365, PR455 and PR550 analyses were used: the first included CG and CIVP, animal and maternal direct effect, residual and age of the calf (as covariate), and the second included CG and CIVP (as fixed effects), animal direct effect, residual and age of calf at measuring. Observed means±standard deviations were: 127±25kg (PR120); 191±34kg (PR240); 225±42kg (PR365); 266±51kg (PR455) and 310±56kg (PR550). From single-trait analyses, direct and maternal heritabilities for PR120, PR240, PR365 and PR455 were, respectively, .23 and .08; .19 and .10; .24 and .04; .30 and .04. Direct heritabilities were .39; .44 and .43, respectively, for PR365, PR455 and PR550. In the model without permanent effect, direct and maternal heritabilities for PR365, PR455 and PR550 were .25 and .08; .32 and .07; .38 and .03, respectively. When the estimates for standardized traits at the same period were compared, no differences in magnitude were found. Rank correlation had important changes when standardized and non-standardized traits were compared.

The influence of fruit morphology and habitat structure on ant-seed interactions: A study with artificial fruits

Artificial fruits designed to simulate lipid-rich non-myrecochorous diaspores were used to test for the effect of fruit morphology and habitat structure on ant-seed interactions in an Atlantic Forest site in SE Brazil. The outcome of the interaction (i.e., if the fruit was removed, cleaned by ants on the spot or had no interaction with ants) and the time of ant response were the investigated variables. Models simulating drupes and arilate diaspores were used to test for morphological effects and four habitat attributes (litter depth, number of logs, number of trees, and percentage of bromeliad coverage on the forest floor), likely to be correlated with the ant diversity and abundance in the study site, were measured to test for the effect of habitat structure. The proportion of fruits removed or cleaned did not differ between the two morphological models. Sites in which fruits were cleaned had more trees than those in which no interaction occurred. This may be a result of the foraging behavior of arboreal ants that frequently descend to the forest floor to exploit fleshy diaspores. Sites in which model removal occurred had lower litter depth than both those in which models were cleaned and those in which no interaction occurred. A negative correlation was observed between litter depth and ant response time. Accumulation of leaf litter at a given point may have constrained the movements of large ants in general, and ponerine ants (that are important seed removers) in particular. We conclude that that local pattern in litter depth and tree density influence the frequency and outcome of interactions between ants and non-myrmecochorous, fleshy diaspores.

A new procedure to derive transmission line parameters: Theoretical considerations

The objective of this paper is to show an alternative methodology to calculate transmission line parameters per unit length. With this methodology the transmission line parameters can be obtained starting from the phase currents and voltages in one terminal of the line. First, the article shows the classical methodology to calculate frequency dependent transmission line parameters by using Carson's and Pollaczeck's equations for representing the ground effect and Bessel's functions to represent the skin effect. After that, it is shown a new procedure to calculate frequency dependent transmission line parameters directly from currents and voltages of the line that is already built. Then, this procedure is applied in a two-phase transmission line whose parameters have been previously calculated by using the classical methodology. Finally, the results obtained by using the new procedure and by using the classical methodology are compared. ©2005 IEEE.

Una metodología eficiente para manejo de restricciones en algoritmos evolutivos multi-objetivo

This paper presents a new approach for solving constraint optimization problems (COP) based on the philosophy of lexicographical goal programming. A two-phase methodology for solving COP using a multi-objective strategy is used. In the first phase, the objective function is completely disregarded and the entire search effort is directed towards finding a single feasible solution. In the second phase, the problem is treated as a bi-objective optimization problem, turning the constraint optimization into a two-objective optimization. The two resulting objectives are the original objective function and the constraint violation degree. In the first phase a methodology based on progressive hardening of soft constraints is proposed in order to find feasible solutions. The performance of the proposed methodology was tested on 11 well-known benchmark functions.

DN interaction from meson exchange

A model of the DN interaction is presented which is developed in close analogy to the meson-exchange KN potential of the Jülich group utilizing SU(4) symmetry constraints. The main ingredients of the interaction are provided by vector meson (ρ, ω) exchange and higher-order box diagrams involving D *N, DΔ, and D *Δ intermediate states. The coupling of DN to the π Λ c and π Σ c channels is taken into account. The interaction model generates the Λ c(2595)-resonance dynamically as a DN quasi-bound state. Results for DN total and differential cross sections are presented and compared with predictions of two interaction models that are based on the leading-order Weinberg-Tomozawa term. Some features of the Λ c(2595)-resonance are discussed and the role of the near-by π Σ c threshold is emphasized. Selected predictions of the orginal KN model are reported too. Specifically, it is pointed out that the model generates two poles in the partial wave corresponding to the Λ(1405)-resonance. © 2011 SIF, Springer-Verlag Berlin Heidelberg.

Social policies and socioeconomic indicators for transitional economies

Includes bibliography

Application of a bounded upwinding scheme to complex fluid dynamics problems

This paper is concerned with an overview of upwinding schemes, and further nonlinear applications of a recently introduced high resolution upwind differencing scheme, namely the ADBQUICKEST [V.G. Ferreira, F.A. Kurokawa, R.A.B. Queiroz, M.K. Kaibara, C.M. Oishi, J.A.Cuminato, A.F. Castelo, M.F. Tomé, S. McKee, assessment of a high-order finite difference upwind scheme for the simulation of convection-diffusion problems, International Journal for Numerical Methods in Fluids 60 (2009) 1-26]. The ADBQUICKEST scheme is a new TVD version of the QUICKEST [B.P. Leonard, A stable and accurate convective modeling procedure based on quadratic upstream interpolation, Computer Methods in Applied Mechanics and Engineering 19 (1979) 59-98] for solving nonlinear balance laws. The scheme is based on the concept of NV and TVD formalisms and satisfies a convective boundedness criterion. The accuracy of the scheme is compared with other popularly used convective upwinding schemes (see, for example, Roe (1985) [19], Van Leer (1974) [18] and Arora & Roe (1997) [17]) for solving nonlinear conservation laws (for example, Buckley-Leverett, shallow water and Euler equations). The ADBQUICKEST scheme is then used to solve six types of fluid flow problems of increasing complexity: namely, 2D aerosol filtration by fibrous filters; axisymmetric flow in a tubular membrane; 2D two-phase flow in a fluidized bed; 2D compressible Orszag-Tang MHD vortex; axisymmetric jet onto a flat surface at low Reynolds number and full 3D incompressible flows involving moving free surfaces. The numerical simulations indicate that this convective upwinding scheme is a good generic alternative for solving complex fluid dynamics problems. © 2012.

Estimation of spontaneous blinking main sequence in normal subjects and patients with Graves' upper eyelid retraction

Purpose. We quantified the main sequence of spontaneous blinks in normal subjects and Graves' disease patients with upper eyelid retraction using a nonlinear and two linear models, and examined the variability of the main sequence estimated with standard linear regression for 10-minute periods of time. Methods. A total of 20 normal subjects and 12 patients had their spontaneous blinking measured with the magnetic search coil technique when watching a video during one hour. The main sequence was estimated with a power-law function, and with standard and trough the origin linear regressions. Repeated measurements ANOVA was used to test the mean sequence stability of 10-minute bins measured with standard linear regression. Results. In 95% of the sample the correlation coefficients of the main sequence ranged from 0.60 to 0.94. Homoscedasticity of the peak velocity was not verified in 20% of the subjects and 25% of the patients. The power-law function provided the best main sequence fitting for subjects and patients. The mean sequence of 10-minute bins measured with standard linear regression did not differ from the one-hour period value. For the entire period of observation and the slope obtained by standard linear regression, the main sequence of the patients was reduced significantly compared to the normal subjects. Conclusions. Standard linear regression is a valid and stable approximation for estimating the main sequence of spontaneous blinking. However, the basic assumptions of the linear regression model should be examined on an individual basis. The maximum velocity of large blinks is slower in Graves' disease patients than in normal subjects. © 2013 The Association for Research in Vision and Ophthalmology, Inc.

Anaerobic running capacity determined from the critical velocity model is not significantly associated with maximal accumulated oxygen deficit in army runners

Purpose: The aim of this study was to verify whether there is an association between anaerobic running capacity (ARC) values, estimated from two-parameter models, and maximal accumulated oxygen deficit (MAOD) in army runners. Methods: Eleven, trained, middle distance runners who are members of the armed forces were recruited for the study (20 ± 1 years). They performed a critical velocity test (CV) for ARC estimation using three mathematical models and an MAOD test, both tests were applied on a motorized treadmill. Results: The MAOD was 61.6 ± 5.2 mL/kg (4.1 ± 0.3 L). The ARC values were 240.4 ± 18.6 m from the linear velocity-inverse time model, 254.0 ± 13.0 m from the linear distance-time model, and 275.2 ± 9.1 m from the hyperbolic time-velocity relationship (nonlinear 2-parameter model), whereas critical velocity values were 3.91 ± 0.07 m/s, 3.86 ± 0.08 m/s and 3.80 ± 0.09 m/s, respectively. There were differences (P < 0.05) for both the ARC and the CV values when compared between velocity-inverse time linear and nonlinear 2-parameter mathematical models. The different values of ARC did not significantly correlate with MAOD. Conclusion: In conclusion, estimated ARC did not correlate with MAOD, and should not be considered as an anaerobic measure of capacity for treadmill running. © 2013 Elsevier Masson SAS. All rights reserved.