Incremental criterion prediction of personality facets over factors: obtaining unbiased estimates and confidence intervals

 Many researchers have argued that higher order models of personality such as the Five Factor Model are insufficient, and that facet-level analysis is required to better understand criteria such as well-being, job performance, and personality disorders. However, common methods in the extant literature used to estimate the incremental prediction of facets over factors have several shortcomings. This paper delineates these shortcomings by evaluating alternative methods using statistical theory, simulation, and an empirical example. We recommend using differences between Olkin-Pratt adjusted r-squared for factor versus facet regression models to estimate the incremental prediction of facets and present a method for obtaining confidence intervals for such estimates using double adjusted-. r-squared bootstrapping. We also provide an R package that implements the proposed methods.

Comparative study of materials-binding peptide interactions with gold and silver surfaces and nanostructures : A thermodynamic basis for biological selectivity of inorganic materials

Controllable 3D assembly of multicomponent inorganic nanomaterials by precisely positioning two or more types of nanoparticles to modulate their interactions and achieve multifunctionality remains a major challenge. The diverse chemical and structural features of biomolecules can generate the compositionally specific organic/inorganic interactions needed to create such assemblies. Toward this aim, we studied the materials-specific binding of peptides selected based upon affinity for Ag (AgBP1 and AgBP2) and Au (AuBP1 and AuBP2) surfaces, combining experimental binding measurements, advanced molecular simulation, and nanomaterial synthesis. This reveals, for the first time, different modes of binding on the chemically similar Au and Ag surfaces. Molecular simulations showed flatter configurations on Au and a greater variety of 3D adsorbed conformations on Ag, reflecting primarily enthalpically driven binding on Au and entropically driven binding on Ag. This may arise from differences in the interfacial solvent structure. On Au, direct interaction of peptide residues with the metal surface is dominant, while on Ag, solvent-mediated interactions are more important. Experimentally, AgBP1 is found to be selective for Ag over Au, while the other sequences have strong and comparable affinities for both surfaces, despite differences in binding modes. Finally, we show for the first time the impact of these differences on peptide mediated synthesis of nanoparticles, leading to significant variation in particle morphology, size, and aggregation state. Because the degree of contact with the metal surface affects the peptide's ability to cap the nanoparticles and thereby control growth and aggregation, the peptides with the least direct contact (AgBP1 and AgBP2 on Ag) produced relatively polydispersed and aggregated nanoparticles. Overall, we show that thermodynamically different binding modes at metallic interfaces can enable selective binding on very similar inorganic surfaces and can provide control over nanoparticle nucleation and growth. This supports the promise of bionanocombinatoric approaches that rely upon materials recognition.

An overview of methods for simulating and evaluating pipeline corrosion

Steel pipelines, buried under the soil and protected by the combination of protective coatings and cathodic protection (CP), are used for oil and gas transportation. These pipelines are one of the critical infrastructures for energy transportation and therefore became lifelines of modern society. The deterioration of the external surfaces of transmission pipelines is a serious problem and is caused mainly by coating and/or CP failure leading to the loss of integrity of pipelines. To avoid such damage, there is a need of techniques which are able to locate active corrosion sites, monitor corrosion, and evaluate corrosion damage. Fundamental understanding of such processes occurring on coated pipelines (with various types of defects in coatings as well as pipe) in complex soil environment is necessary for the development of such techniques. Numerous laboratory techniques, i.e., electrochemical impedance spectroscopy based, polarisation measurements based, mathematical simulations, direct observation etc. have been used to develop fundamental understanding, simulate and evaluate corrosion occurring in oil and gas pipelines under various operating conditions. Given the complex nature of the pipeline corrosion, application of these laboratory techniques in field measurements as well as in understanding the corrosion mechanisms is lacking. This paper presents an overview of investigations, based on electrochemical techniques, for simulation and evaluation of pipeline corrosion in laboratory.

Computational chemistry for graphene-based energy applications: progress and challenges.

Research in graphene-based energy materials is a rapidly growing area. Many graphene-based energy applications involve interfacial processes. To enable advances in the design of these energy materials, such that their operation, economy, efficiency and durability is at least comparable with fossil-fuel based alternatives, connections between the molecular-scale structure and function of these interfaces are needed. While it is experimentally challenging to resolve this interfacial structure, molecular simulation and computational chemistry can help bridge these gaps. In this Review, we summarise recent progress in the application of computational chemistry to graphene-based materials for fuel cells, batteries, photovoltaics and supercapacitors. We also outline both the bright prospects and emerging challenges these techniques face for application to graphene-based energy materials in future.

Stiffness and strength degradation of damaged truss core composites

Truss core laminates display stiffness and strength/density ratios superior to those seen in foam cored laminates. However, this superiority is held only for ideal shaped struts. If the truss core is damaged, its performance rapidly decreases towards that of a foam. The present study investigates the stiffness and strength degradation with imposed core deformation/damage. This is done for a pyramidal core structure made by electro-discharge machining from AA5083 alloy. The experiments are compared with finite element predictions. The effect of the strain rate sensitivity is studied by performing the tests at different temperatures and by FE simulations with different material data sets. The results show reasonable agreement between experiments and modeling. The stiffness of a damaged truss core rapidly degrades and reaches the performance levels seen in foams after ≈8% of deformation. The results show that a high strain rate sensitivity significantly influences post-buckling core behavior and is able to decrease the stiffness and strength degradation rate.

Pedagogy of the rural: teaching and learning for rural futures?

Pedagogy of the Rural illustrates the complexities of rural space and considers some of the underlying assumptions, ‘truths’ and ‘realities’ about rural education and teaching in a complicated and dynamic policy context. Pedagogy of the Rural offers an alternative to current teacher education practice – it is responsive to policy demands as well as local conditions and traditions, and has a futures orientation, in that it provides a way forward for valuing rural contexts for what they bring to teacher identities beyond traditional deficit positionings dominant in current discourses on rural. The authors examine notions of size and how this impacts on the ways in which beginning teachers in rural locations are positioned in terms of identity at a macro, meso and micro level. They also examine what it means to ‘be rural’ and use Pedagogy of the Rural to conceptualise rural understandings as a pedagogy that is not a pedagogy ‘for’ or ‘about’ but rather ‘of’ the rural. Complexities of the Pedagogy of the Rural are understood through Harré’s (2004) positioning theory, Baudrillard’s (1983) notion of simulation and simulacra and Lefebvre’s (2009) arguments around space and economic geographies. The interrelationship of place, space and identity unify teachers’ understandings of who they (or we) are, and are becoming, in a specific time and geographical location, raising questions about: subjectivity - who we are; power - what we can do; and desire- who we might become (Harré, Moghaddam, Cairnie, Rothbart, & Sabat, 2009), and the influence of personal and professional histories and what rural brings to our pedagogy within this.

Modelagem dos tempos de falhas ao longo do calendário

Um dos modos de avaliar a confiabilidade de um produto é verificando o comportamento das falhas em testes de uso contínuo. Contudo, essa informação não permite saber em que data a falha ocorrerá. Para resolver esse impasse abordamos na presente dissertação a modelagem dos tempos de falha ao longo do calendário. A modelagem desses tempos permite uma melhor administração do sistema de garantia e assistência técnica, além de possibilitar a empresa estimar e monitorar a confiabilidade do produto. Para proceder com a modelagem, é preciso, inicialmente, conhecer a distribuição de três variáveis: o tempo de vida do produto, em horas de uso contínuo; o tempo de uso do produto, em horas por dia; e o intervalo de tempo entre a manufatura e a venda, em dias. Conhecendo o comportamento dessa variáveis duas alternativas de solução são apresentadas: (a) Modelagem via simulação de Monte Carlo e (b) Modelagem através de solução matemática fechada. São discutidos os casos em que há um ou vários grupos de clientes que utilizam o produto.

Estudo paramétrico da segregação gravitacional na injeção contínua de vapor

Steam injection is the most used method of additional recovery for the extraction of heavy oil. In this type procedure is common to happen gravitational segregation and this phenomenon can affect the production of oil and therefore, it shoulds be considered in the projects of continuous steam injection. For many years, the gravitational segregation was not adequately considered in the calculation procedures in Reservoir Engineering. The effect of the gravity causes the segregation of fluids inside the porous media according to their densities. The results of simulation arising from reservoirs could provide the ability to deal with the gravity, and it became apparent that the effects of the gravity could significantly affect the performance of the reservoir. It know that the gravitational segregation can happen in almost every case where there is injection of light fluid, specially the steam, and occurs with greater intensity for viscous oil reservoirs. This work discusses the influence of some parameters of the rock-reservoir in segregation as viscosity, permeability, thickness, cover gas, porosity. From a model that shows the phenomenon with greater intensity, optimized some operational parameters as the rate flow rate steam, distance between the wells injector-producer, and interval of completion which contributed to the reduction in gravity override, thus increasing the oil recovery. It was shown a greater technical-economic viability for the model of distance between the wells 100 m. The analysis was performed using the simulator of CMG (Computer Modeling Group-Stars 2007.11, in which was observed by iterating between studied variables in heavy oil reservoirs with similar characteristics to Brazilian Northeast

Predição não-linear de curvas de produção de petróleo via redes neurais recursivas

One of the main activities in the petroleum engineering is to estimate the oil production in the existing oil reserves. The calculation of these reserves is crucial to determine the economical feasibility of your explotation. Currently, the petroleum industry is facing problems to analyze production due to the exponentially increasing amount of data provided by the production facilities. Conventional reservoir modeling techniques like numerical reservoir simulation and visualization were well developed and are available. This work proposes intelligent methods, like artificial neural networks, to predict the oil production and compare the results with the ones obtained by the numerical simulation, method quite a lot used in the practice to realization of the oil production prediction behavior. The artificial neural networks will be used due your learning, adaptation and interpolation capabilities

Estudo dos parâmetros operacionais do processo de combustão in situ em reservatório de petróleo pesado

The occurrence of heavy oil reservoirs have increased substantially and, due to the high viscosity characteristic of this type of oil, conventional recovery methods can not be applied. Thermal methods have been studied for the recovery of this type of oil, with a main objective to reduce its viscosity, by increasing the reservoir temperature, favoring the mobility of the oil and allowing an increasing in the productivity rate of the fields. In situ combustion (ISC) is a thermal recovery method in which heat is produced inside the reservoir by the combustion of part of the oil with injected oxygen, contrasting with the injection of fluid that is heated in the surface for subsequent injection, which leads to loss heat during the trajectory to the reservoir. The ISC is a favorable method for recovery of heavy oil, but it is still difficult to be field implemented. This work had as an objective the parametric analysis of ISC process applied to a semi-synthetic reservoir with characteristics of the Brazilian Northeast reservoirs using vertical production and vertical injection wells, as the air flow injection and the wells completions. For the analysis, was used a commercial program for simulation of oil reservoirs using thermal processes, called Steam, Thermal and Advanced Processes Reservoir Simulator (STARS) from Computer Modelling Group (CMG). From the results it was possible to analyze the efficiency of the ISC process in heavy oil reservoirs by increasing the reservoir temperature, providing a large decrease in oil viscosity, increasing its mobility inside the reservoir, as well as the improvement in the quality of this oil and therefore increasing significantly its recovered fraction. Among the analyzed parameters, the flow rate of air injection was the one which had greater influence in ISC, obtaining higher recovery factor the higher is the flow rate of injection, due to the greater amount of oxygen while ensuring the maintenance of the combustion front

Análise de viabilidade de injeção de fluidos alternativos ao vapor em reservatórios de óleo pesado

Many of hydrocarbon reserves existing in the world are formed by heavy oils (°API between 10 and 20). Moreover, several heavy oil fields are mature and, thus, offer great challenges for oil industry. Among the thermal methods used to recover these resources, steamflooding has been the main economically viable alternative. Latent heat carried by steam heats the reservoir, reducing oil viscosity and facilitating the production. This method has many variations and has been studied both theoretically and experimentally (in pilot projects and in full field applications). In order to increase oil recovery and reduce steam injection costs, the injection of alternative fluid has been used on three main ways: alternately, co-injected with steam and after steam injection interruption. The main objective of these injection systems is to reduce the amount of heat supplied to the reservoir, using cheaper fluids and maintaining the same oil production levels. This works discusses the use of carbon dioxide, nitrogen, methane and water as an alternative fluid to the steam. The analyzed parameters were oil recoveries and net cumulative oil productions. The reservoir simulation model corresponds to an oil reservoir of 100 m x 100 m x 28 m size, on a Cartesian coordinates system (x, y and z directions). It is a semi synthetic model with some reservoir data similar to those found in Brazilian Potiguar Basin. All studied cases were done using the simulator STARS from CMG (Computer Modelling Group, version 2009.10). It was found that waterflood after steam injection interruption achieved the highest net cumulative oil compared to other fluids injection. Moreover, it was observed that steam and alternative fluids, co-injected and alternately, did not present increase on profitability project compared with steamflooding

Generalized linear mixed models for the genetic evaluation of binary reproductive traits: a simulation study

The objective of this study was to evaluate the use of probit and logit link functions for the genetic evaluation of early pregnancy using simulated data. The following simulation/analysis structures were constructed: logit/logit, logit/probit, probit/logit, and probit/probit. The percentages of precocious females were 5, 10, 15, 20, 25 and 30% and were adjusted based on a change in the mean of the latent variable. The parametric heritability (h²) was 0.40. Simulation and genetic evaluation were implemented in the R software. Heritability estimates (ĥ²) were compared with h² using the mean squared error. Pearson correlations between predicted and true breeding values and the percentage of coincidence between true and predicted ranking, considering the 10% of bulls with the highest breeding values (TOP10) were calculated. The mean ĥ² values were under- and overestimated for all percentages of precocious females when logit/probit and probit/logit models used. In addition, the mean squared errors of these models were high when compared with those obtained with the probit/probit and logit/logit models. Considering ĥ², probit/probit and logit/logit were also superior to logit/probit and probit/logit, providing values close to the parametric heritability. Logit/probit and probit/logit presented low Pearson correlations, whereas the correlations obtained with probit/probit and logit/logit ranged from moderate to high. With respect to the TOP10 bulls, logit/probit and probit/logit presented much lower percentages than probit/probit and logit/logit. The genetic parameter estimates and predictions of breeding values of the animals obtained with the logit/logit and probit/probit models were similar. In contrast, the results obtained with probit/logit and logit/probit were not satisfactory. There is need to compare the estimation and prediction ability of logit and probit link functions.

Obtenção dos parâmetros-x de estruturas planares

Due to major progress of communication system in the last decades, need for more precise characterization of used components. The S-parameters modeling has been used to characterization, simulation and test of communication system. However, limitation of S-parameters to model nonlinear system has created new modeling systems that include the nonlinear characteristics. The polyharmonic distortion modeling is a characterizationg technique for nonlinear systems that has been growing up due to praticity and similarity with S-parameters. This work presents analysis the polyharmonic distortion modeling, the test bench development for simulation of planar structure and planar structure characterization with X-parameters

Controle inteligente de sistemas eletroidráulicos utilizando redes neurais artificiais

This work describes the development of a nonlinear control strategy for an electro-hydraulic actuated system. The system to be controlled is represented by a third order ordinary differential equation subject to a dead-zone input. The control strategy is based on a nonlinear control scheme, combined with an artificial intelligence algorithm, namely, the method of feedback linearization and an artificial neural network. It is shown that, when such a hard nonlinearity and modeling inaccuracies are considered, the nonlinear technique alone is not enough to ensure a good performance of the controller. Therefore, a compensation strategy based on artificial neural networks, which have been notoriously used in systems that require the simulation of the process of human inference, is used. The multilayer perceptron network and the radial basis functions network as well are adopted and mathematically implemented within the control law. On this basis, the compensation ability considering both networks is compared. Furthermore, the application of new intelligent control strategies for nonlinear and uncertain mechanical systems are proposed, showing that the combination of a nonlinear control methodology and artificial neural networks improves the overall control system performance. Numerical results are presented to demonstrate the efficacy of the proposed control system

Self-assembling of phenothiazine compounds investigated by small-angle X-ray scattering and electron paramagnetic resonance spectroscopy

Small-angle X-ray scattering (SAXS) and electron paramagnetic resonance (EPR) have been carried out to investigate the structure of the self-aggregates of two phenothiazine drugs, chlorpromazine (CPZ) and trifluoperazine (TFP), in aqueous solution. In the SAXS studies, drug solutions of 20 and 60 mM, at pH 4.0 and 7.0, were investigated and the best data fittings were achieved assuming several different particle form factors with a homogeneous electron density distribution in respect to the water environment. Because of the limitation of scattering intensity in the q range above 0.15 angstrom(-1), precise determination of the aggregate shape was not possible and all of the tested models for ellipsoids, cylinders, or parallelepipeds fitted the experimental data equally well. The SAXS data allows inferring, however, that CPZ molecules might self-assemble in a basis set of an orthorhombic cell, remaining as nanocrystallites in solution. Such nanocrystals are composed of a small number of unit cells (up to 10, in c-direction), with CPZ aggregation numbers of 60-80. EPR spectra of 5- and 16-doxyl stearic acids bound to the aggregates were analyzed through simulation, and the dynamic and magnetic parameters were obtained. The phenothiazine concentration in EPR experiments was in the range of 5-60 mM. Critical aggregation concentration of TFP is lower than that for CPZ, consistent with a higher hydrophobicity of TFP. At acidic pH 4.0 a significant residual motion of the nitroxide relative to the aggregate is observed, and the EPR spectra and corresponding parameters are similar to those reported for aqueous surfactant micelles. However, at pH 6.5 a significant motional restriction is observed, and the nitroxide rotational correlation times correlate very well with those estimated for the whole aggregated particle from SAXS data. This implies that the aggregate is densely packed at this pH and that the nitroxide is tightly bound to it producing a strongly immobilized EPR spectrum. Besides that, at pH 6.5 the differences in motional restriction observed between 5- and 16-DSA are small, which is different from that observed for aqueous surfactant micelles.