On the finite element modeling of fatigue crack growth in pressurized cylindrical shells

A methodology for the computational modeling of the fatigue crack growth in pressurized shell structures, based on the finite element method and concepts of Linear Elastic Fracture Mechanics, is presented. This methodology is based on that developed by Potyondy [Potyondy D, Wawrzynek PA, Ingraffea, AR. Discrete crack growth analysis methodology for through crack in pressurized fuselage structures. Int J Numer Methods Eng 1995;38:1633-1644], which consists of using four stress intensity factors, computed from the modified crack integral method, to predict the fatigue propagation life as well as the crack trajectory, which is computed as part of the numerical simulation. Some issues not presented in the study of Potyondy are investigated herein such as the influence of the crack increment size and the number of nodes per element (4 or 9 nodes) on the simulation results by means of a fatigue crack propagation simulation of a Boeing 737 airplane fuselage. The results of this simulation are compared with experimental results and those obtained by Potyondy [1]. (C) 2008 Elsevier Ltd. All rights reserved.

Modeling of functionally graded piezoelectric ultrasonic transducers

The application of functionally graded material (FGM) concept to piezoelectric transducers allows the design of composite transducers without interfaces, due to the continuous change of property values. Thus, large improvements can be achieved, as reduction of stress concentration, increasing of bonding strength, and bandwidth. This work proposes to design and to model FGM piezoelectric transducers and to compare their performance with non-FGM ones. Analytical and finite element (FE) modeling of FGM piezoelectric transducers radiating a plane pressure wave in fluid medium are developed and their results are compared. The ANSYS software is used for the FE modeling. The analytical model is based on FGM-equivalent acoustic transmission-line model, which is implemented using MATLAB software. Two cases are considered: (i) the transducer emits a pressure wave in water and it is composed of a graded piezoceramic disk, and backing and matching layers made of homogeneous materials; (ii) the transducer has no backing and matching layer; in this case, no external load is simulated. Time and frequency pressure responses are obtained through a transient analysis. The material properties are graded along thickness direction. Linear and exponential gradation functions are implemented to illustrate the influence of gradation on the transducer pressure response, electrical impedance, and resonance frequencies. (C) 2009 Elsevier B. V. All rights reserved.

Modeling of Plastic Deformation Effects in Ferromagnetic Thin Films

To explain the magnetic behavior of plastic deformation of thin magnetic films (Fe and permalloy) on an elastic substrate (nitinol), it is noted that unlike in the bulk, the dislocation density does not increase dramatically because of the dimensional constraint. As a result, the resulting residual stress, even though strain hardening is limited, dominates the observed magnetic behavior. Thus, with the field parallel to the stress axis, the compressive residual stress resulting from plastic deformation causes a decrease in remanence and an increase in coercivity; and with the field perpendicular to the stress axis, the resulting compressive residual stress causes an increase in remanence and a decrease in coercivity. These elements have been inserted into the model previously developed for plastic deformation in the bulk, producing the aforementioned behavior, which has been observed experimentally in the films.

Modeling of Effect of Plastic Deformation on Barkhausen Noise and Magnetoacoustic Emission in Iron With 2% Silicon

Before one models the effect of plastic deformation on magnetoacoustic emission (MAE), one must first treat non-180 degrees domain wall motion. In this paper, we take the Alessandro-Beatrice-Bertotti-Montorsi (ABBM) model and modify it to treat non-180 degrees wall motion. We then insert a modified stress-dependent Jiles-Atherton model, which treats plastic deformation, into the modified ABBM model to treat MAE and magnetic Barkhausen noise (HBN). In fitting the dependence of these quantities on plastic deformation, we apply a model for when deformation gets into the stage where dislocation tangles are formed, noting two chief effects, one due to increased density of emission centers owing to increased dislocation density, and the other due to a more gentle increase in the residual stress in the vicinity of the dislocation tangles as deformation is increased.

Numerical modeling of ductile crack extension in high pressure pipelines with longitudinal flaws

This study examines the applicability of a micromechanics approach based upon the computational cell methodology incorporating the Gurson-Tvergaard (GT) model and the CTOA criterion to describe ductile crack extension of longitudinal crack-like defects in high pressure pipeline steels. A central focus is to gain additional insight into the effectiveness and limitations of both approaches to describe crack growth response and to predict the burst pressure for the tested cracked pipes. A verification study conducted on burst testing of large-diameter, precracked pipe specimens with varying crack depth to thickness ratio (a/t) shows the potential predictive capability of the cell approach even though both the CT model and the CTOA criterion appear to depend on defect geometry. Overall, the results presented here lend additional support for further developments in the cell methodology as a valid engineering tool for integrity assessments of pipelines with axial defects. (C) 2011 Elsevier Ltd. All rights reserved,

Kinetics and Modeling of Fatty Alcohol Ethoxylation in an Industrial Spray Loop Reactor

The kinetics of the ethoxylation of fatty alcohols catalyzed by potassium hydroxide was studied to obtain the rate constants for modeling of the industrial process. Experimental data obtained in a lab-scale semibatch autoclave reactor were used to evaluate kinetic and equilibrium parameters. The kinetic model was employed to model the performance of an industrial-scale spray tower reactor for fatty alcohol ethoxylation. The reactor model considers that mass transfer and reaction occur independently in two distinct zones of the reactor. Good agreement between the model predictions and real data was found. These findings confirm the reliability of the kinetic and reactor model for simulating fatty alcohol ethoxylation processes under industrial conditions.

Experimental data and modeling of the thermodynamic properties of bread dough at refrigeration and freezing temperatures

Thermodynamic properties of bread dough (fusion enthalpy, apparent specific heat, initial freezing point and unfreezable water) were measured at temperatures from -40 degrees C to 35 degrees C using differential scanning calorimetry. The initial freezing point was also calculated based on the water activity of dough. The apparent specific heat varied as a function of temperature: specific heat in the freezing region varied from (1.7-23.1) J g(-1) degrees C(-1), and was constant at temperatures above freezing (2.7 J g(-1) degrees C(-1)). Unfreezable water content varied from (0.174-0.182) g/g of total product. Values of heat capacity as a function of temperature were correlated using thermodynamic models. A modification for low-moisture foodstuffs (such as bread dough) was successfully applied to the experimental data. (C) 2010 Elsevier Ltd. All rights reserved.

AN ASSESSMENT ON THE USE OF THE DEBYE-HUCKEL EQUATION FOR THE THERMODYNAMIC MODELING OF AQUEOUS SYSTEMS CONTAINING POLYMERS AND SALTS

In this work, a study on the role of the long-range term of excess Gibbs energy models in the modeling of aqueous systems containing polymers and salts is presented. Four different approaches on how to account for the presence of polymer in the long-range term were considered, and simulations were conducted considering aqueous solutions of three different salts. The analysis of water activity curves showed that, in all cases, a liquid-phase separation may be introduced by the sole presence of the polymer in the long-range term, regardless of how it is taken into account. The results lead to the conclusion that there is no single exact solution for this problem, and that any kind of approach may introduce inconsistencies.

Evaluation of Characterization and Performance Modeling of Cementitiously Stabilized Layers in the Mechanistic-Empirical Pavement Design Guide

Cementitious stabilization of aggregates and soils is an effective technique to increase the stiffness of base and subbase layers. Furthermore, cementitious bases can improve the fatigue behavior of asphalt surface layers and subgrade rutting over the short and long term. However, it can lead to additional distresses such as shrinkage and fatigue in the stabilized layers. Extensive research has tested these materials experimentally and characterized them; however, very little of this research attempts to correlate the mechanical properties of the stabilized layers with their performance. The Mechanistic Empirical Pavement Design Guide (MEPDG) provides a promising theoretical framework for the modeling of pavements containing cementitiously stabilized materials (CSMs). However, significant improvements are needed to bring the modeling of semirigid pavements in MEPDG to the same level as that of flexible and rigid pavements. Furthermore, the MEPDG does not model CSMs in a manner similar to those for hot-mix asphalt or portland cement concrete materials. As a result, performance gains from stabilized layers are difficult to assess using the MEPDG. The current characterization of CSMs was evaluated and issues with CSM modeling and characterization in the MEPDG were discussed. Addressing these issues will help designers quantify the benefits of stabilization for pavement service life.

Spatio-temporal modeling of agricultural yield data with an application to pricing crop insurance contracts

This article presents a statistical model of agricultural yield data based on a set of hierarchical Bayesian models that allows joint modeling of temporal and spatial autocorrelation. This method captures a comprehensive range of the various uncertainties involved in predicting crop insurance premium rates as opposed to the more traditional ad hoc, two-stage methods that are typically based on independent estimation and prediction. A panel data set of county-average yield data was analyzed for 290 counties in the State of Parana (Brazil) for the period of 1990 through 2002. Posterior predictive criteria are used to evaluate different model specifications. This article provides substantial improvements in the statistical and actuarial methods often applied to the calculation of insurance premium rates. These improvements are especially relevant to situations where data are limited.

Modeling of transpiration reduction in van Genuchten-Mualem type soils

We derive an analytic expression for the matric flux potential (M) for van Genuchten-Mualem (VGM) type soils which can also be written in terms of a converging infinite series. Considering the first four terms of this series, the accuracy of the approximation was verified by comparing it to values of M estimated by numerical finite difference integration. Using values of the parameters for three soils from different texture classes, the proposed four-term approximation showed an almost perfect match with the numerical solution, except for effective saturations higher than 0.9. Including more terms reduced the discrepancy but also increased the complexity of the equation. The four-term equation can be used for most applications. Cases with special interest in nearly saturated soils should include more terms from the infinite series. A transpiration reduction function for use with the VGM equations is derived by combining the derived expression for M with a root water extraction model. The shape of the resulting reduction function and its dependency on the derivative of the soil hydraulic diffusivity D with respect to the soil water content theta is discussed. Positive and negative values of dD/d theta yield concave and convex or S-shaped reduction functions, respectively. On the basis of three data sets, the hydraulic properties of virtually all soils yield concave reduction curves. Such curves based solely on soil hydraulic properties do not account for the complex interactions between shoot growth, root growth, and water availability.

Spatial Modeling of a Soil Fertility Index using Visible-Near-Infrared Spectra and Terrain Attributes

Our objective was to develop a methodology to predict soil fertility using visible near-infrared (vis-NIR) diffuse reflectance spectra and terrain attributes derived from a digital elevation model (DEM). Specifically, our aims were to: (i) assemble a minimum data set to develop a soil fertility index for sugarcane (Sarcharum officinarum L.) (SFI-SC) for biofuel production in tropical soils; (ii) construct a model to predict the SFI-SC using soil vis-NIR spectra and terrain attributes; and (iii) produce a soil fertility map for our study area and assess it by comparing it with a green vegetation index (GVI). The study area was 185 ha located in sao Paulo State, Brazil. In total, 184 soil samples were collected and analyzed for a range of soil chemical and physical properties. Their vis-NIR spectra were collected from 400 to 2500 nm. The Shuttle Radar Topographic Mission 3-arcsec (90-m resolution) DEM of the area was used to derive 17 terrain attributes. A minimum data set of soil properties was selected to develop the SFI-SC. The SFI-SC consisted of three classes: Class 1, the highly fertile soils; Class 2, the fertile soils; and Class 3, the least fertile soils. It was derived heuristically with conditionals and using expert knowledge. The index was modeled with the spectra and terrain data using cross-validated decision trees. The cross-validation of the model correctly predicted Class 1 in 75% of cases, Class 2 in 61%, and Class 3 in 65%. A fertility map was derived for the study area and compared with a map of the GVI. Our approach offers a methodology that incorporates expert knowledge to derive the SFI-SC and uses a versatile spectro-spatial methodology that may be implemented for rapid and accurate determination of soil fertility and better exploration of areas suitable for production.

QSAR Modeling of a Set of Pyrazinoate Esters as Antituberculosis Prodrugs

Tuberculosis is an infection caused mainly by Mycobacterium tuberculosis. A first-line antimycobacterial drug is pyrazinamide (PZA), which acts partially as a prodrug activated by a pyrazinamidase releasing the active agent, pyrazinoic acid (POA). As pyrazinoic acid presents some difficulty to cross the mycobacterial cell wall, and also the pyrazinamide-resistant strains do not express the pyrazinamidase, a set of pyrazinoic acid esters have been evaluated as antimycobacterial agents. In this work, a QSAR approach was applied to a set of forty-three pyrazinoates against M. tuberculosis ATCC 27294, using genetic algorithm function and partial least squares regression (WOLF 5.5 program). The independent variables selected were the Balaban index (I), calculated n-octanol/water partition coefficient (ClogP), van-der-Waals surface area, dipole moment, and stretching-energy contribution. The final QSAR model (N = 32, r(2) = 0.68, q(2) = 0.59, LOF = 0.25, and LSE = 0.19) was fully validated employing leave-N-out cross-validation and y-scrambling techniques. The test set (N = 11) presented an external prediction power of 73%. In conclusion, the QSAR model generated can be used as a valuable tool to optimize the activity of future pyrazinoic acid esters in the designing of new antituberculosis agents.

A NEUROECONOMIC MODELING OF ATTENTION-DEFICIT/HYPERACTIVITY DISORDER (ADHD)

In this paper we present a new neuroeconomics model for decision-making applied to the Attention-Deficit/Hyperactivity Disorder (ADHD). The model is based on the hypothesis that decision-making is dependent on the evaluation of expected rewards and risks assessed simultaneously in two decision spaces: the personal (PDS) and the interpersonal emotional spaces (IDS). Motivation to act is triggered by necessities identified in PDS or IDS. The adequacy of an action in fulfilling a given necessity is assumed to be dependent on the expected reward and risk evaluated in the decision spaces. Conflict generated by expected reward and risk influences the easiness (cognitive effort) and the future perspective of the decision-making. Finally, the willingness (not) to act is proposed to be a function of the expected reward (or risk), adequacy, easiness and future perspective. The two most frequent clinical forms are ADHD hyperactive (AD/HDhyp) and ADHD inattentive (AD/HDdin). AD/HDhyp behavior is hypothesized to be a consequence of experiencing high rewarding expectancies for short periods of time, low risk evaluation, and short future perspective for decision-making. AD/HDin is hypothesized to be a consequence of experiencing high rewarding expectancies for long periods of time, low risk evaluation, and long future perspective for decision-making.

TOWARD UNDERSTANDING THE B[e] PHENOMENON. IV. MODELING OF IRAS 00470+6429

FS CMa type stars are a recently described group of objects with the B[e] phenomenon which exhibits strong emission-line spectra and strong IR excesses. In this paper, we report the first attempt for a detailed modeling of IRAS 00470+6429, for which we have the best set of observations. Our modeling is based on two key assumptions: the star has a main-sequence luminosity for its spectral type (B2) and the circumstellar (CS) envelope is bimodal, composed of a slowly outflowing disklike wind and a fast polar wind. Both outflows are assumed to be purely radial. We adopt a novel approach to describe the dust formation site in the wind that employs timescale arguments for grain condensation and a self-consistent solution for the dust destruction surface. With the above assumptions we were able to satisfactorily reproduce many observational properties of IRAS 00470+6429, including the Hi line profiles and the overall shape of the spectral energy distribution. Our adopted recipe for dust formation proved successful in reproducing the correct amount of dust formed in the CS envelope. Possible shortcomings of our model, as well as suggestions for future improvements, are discussed.