MODELING OF WEEDS INTERFERENCE PERIODS IN BEAN

The research objective was to determine the effects of spacing and seeding density of common bean to the period prior to weed interference (PPI) and weed period prior to economic loss (WEEPPEL). The treatments consisted of periods of coexistence between culture and the weeds, with 0 to 10, 0 to 20, 0 to 30, 0 to 40, 0 to 50, 0 to 60, 0 to 70, and 0 to 80 days and a control maintained without weeds. In addition to the periods of coexistence, there were still studies with an inter-row of 0.45 and 0.60 m, 10 and 15 plants m(-1). The experimental delineation used was randomized blocks with four repetitions per treatment. The grain productivity of the culture had a reduction of 63, 50, 42 and 57% when the coexistence with the weed plants was during the entire cycle of the culture for a row spacing of 0.45 m and a seeding density of 10 and 15 plants per meter; and a row spacing of 0.60m and a seeding density of 10 and 15 plants per meter, respectively. The PPI occurred in 23, 27, 13, and 19 days after crop emergence and WEEPPEL in 10, 9, 8, and 8 days, respectively.

Modeling of continuous thermal processing of a non-Newtonian liquid food under diffusive laminar flow in a tubular system

The classic conservative approach for thermal process design can lead to over-processing, especially for laminar flow, when a significant distribution of temperature and of residence time occurs. In order to optimize quality retention, a more comprehensive model is required. A model comprising differential equations for mass and heat transfer is proposed for the simulation of the continuous thermal processing of a non-Newtonian food in a tubular system. The model takes into account the contribution from heating and cooling sections, the heat exchange with the ambient air and effective diffusion associated with non-ideal laminar flow. The study case of soursop juice processing was used to test the model. Various simulations were performed to evaluate the effect of the model assumptions. An expressive difference in the predicted lethality was observed between the classic approach and the proposed model. The main advantage of the model is its flexibility to represent different aspects with a small computational time, making it suitable for process evaluation and design. (C) 2012 Elsevier Ltd. All rights reserved.

Freeze-drying microscopy in mathematical modeling of a biomaterial freeze-drying

Transplantation brings hope for many patients. A multidisciplinary approach on this field aims at creating biologically functional tissues to be used as implants and prostheses. The freeze-drying process allows the fundamental properties of these materials to be preserved, making future manipulation and storage easier. Optimizing a freeze-drying cycle is of great importance since it aims at reducing process costs while increasing product quality of this time-and-energy-consuming process. Mathematical modeling comes as a tool to help a better understanding of the process variables behavior and consequently it helps optimization studies. Freeze-drying microscopy is a technique usually applied to determine critical temperatures of liquid formulations. It has been used in this work to determine the sublimation rates of a biological tissue freeze-drying. The sublimation rates were measured from the speed of the moving interface between the dried and the frozen layer under 21.33, 42.66 and 63.99 Pa. The studied variables were used in a theoretical model to simulate various temperature profiles of the freeze-drying process. Good agreement between the experimental and the simulated results was found.

Synthesis, Biological Evaluation, And Molecular Modeling of Chalcone Derivatives As Potent Inhibitors of Mycobacterium tuberculosis Protein Tyrosine Phosphatases (PtpA and PtpB)

Tuberculosis (TB) is a major infectious disease caused by Mycobacterium tuberculosis (Mtb). According to the World Health Organization (WHO), about 1.8 million people die from TB and 10 million new cases are recorded each year. Recently, a new series of naphthylchalcones has been identified as inhibitors of Mtb protein tyrosine phosphatases (PTPs). In this work, 100 chalcones were designed, synthesized, and investigated for their inhibitory properties against MtbPtps. Structure-activity relationships (SAR) were developed, leading to the discovery of new potent inhibitors with IC50 values in the low-micromolar range. Kinetic studies revealed competitive inhibition and high selectivity toward the Mtb enzymes. Molecular modeling investigations were carried out with the aim of revealing the most relevant structural requirements underlying the binding affinity and selectivity of this series of inhibitors as potential anti-TB drugs.

BEM modeling of saturated porous media susceptible to damage

This paper deals with the numerical analysis of saturated porous media, taking into account the damage phenomena on the solid skeleton. The porous media is taken into poro-elastic framework, in full-saturated condition, based on Biot's Theory. A scalar damage model is assumed for this analysis. An implicit boundary element method (BEM) formulation, based on time-independent fundamental solutions, is developed and implemented to couple the fluid flow and two-dimensional elastostatic problems. The integration over boundary elements is evaluated using a numerical Gauss procedure. A semi-analytical scheme for the case of triangular domain cells is followed to carry out the relevant domain integrals. The non-linear problem is solved by a Newton-Raphson procedure. Numerical examples are presented, in order to validate the implemented formulation and to illustrate its efficacy. (C) 2011 Elsevier Ltd. All rights reserved.

Gaussian deconvolution: a useful method for a form-free modeling of scattering data from mono- and multilayered planar systems

A new method for analysis of scattering data from lamellar bilayer systems is presented. The method employs a form-free description of the cross-section structure of the bilayer and the fit is performed directly to the scattering data, introducing also a structure factor when required. The cross-section structure (electron density profile in the case of X-ray scattering) is described by a set of Gaussian functions and the technique is termed Gaussian deconvolution. The coefficients of the Gaussians are optimized using a constrained least-squares routine that induces smoothness of the electron density profile. The optimization is coupled with the point-of-inflection method for determining the optimal weight of the smoothness. With the new approach, it is possible to optimize simultaneously the form factor, structure factor and several other parameters in the model. The applicability of this method is demonstrated by using it in a study of a multilamellar system composed of lecithin bilayers, where the form factor and structure factor are obtained simultaneously, and the obtained results provided new insight into this very well known system.

Sintering and model of thermal residual stress for getting cutting tools from functionally gradient materials

Cutting tools with higher wear resistance are those manufactured by powder metallurgy process, which combines the development of materials and design properties, features of shape-making technology and sintering. The annual global market of cutting tools consumes about US$ 12 billion; therefore, any research to improve tool designs and machining process techniques adds value or reduces costs. The aim is to describe the Spark Plasma Sintering (SPS) of cutting tools in functionally gradient materials, to show this structure design suitability through thermal residual stress model and, lastly, to present two kinds of inserts. For this, three cutting tool materials were used (Al2O3-ZrO2, Al2O3-TiC and WC-Co). The samples were sintered by SPS at 1300 °C and 70 MPa. The results showed that mechanical and thermal displacements may be separated during thermal treatment for analysis. Besides, the absence of cracks indicated coherence between experimental results and the residual stresses predicted.

Thermal analysis of the chip formation in austenitic stainless steel

The most important property of austenitic stainless steels is corrosion resistance. In these steels, the transition between paramagnetic and ferromagnetic conditions occurs at low temperatures. Therefore, the use of austenitic stainless steels in conditions in which ferromagnetism absence is important can be considered. On the other hand, the formation of strain-induced martensite is detected when austenitic stainless steels are deformed as well as machined. The strain-induced martensite formed especially in the machining process is not uniform through the chip and its formation can also be related to the Md temperature. Therefore, both the temperature distribution and the gradient during the cutting and chip formation are important to identify regions in which martensite formation is propitiated. The main objective here is evaluate the strain-induced martensite formation throughout machining by observing microstructural features and comparing these to thermal results obtained through finite element method analysis. Results show that thermal analysis can give support to the martensite identified in the microstructural analysis.

Centrifuge Modeling of Sandy Slopes

Slope failure occurs in many areas throughout the world and it becomes an important problem when it interferes with human activity, in which disasters provoke loss of life and property damage. In this research we investigate the slope failure through the centrifuge modeling, where a reduced-scale model, N times smaller than the full-scale (prototype), is used whereas the acceleration is increased by N times (compared with the gravity acceleration) to preserve the stress and the strain behavior. The aims of this research “Centrifuge modeling of sandy slopes” are in extreme synthesis: 1) test the reliability of the centrifuge modeling as a tool to investigate the behavior of a sandy slope failure; 2) understand how the failure mechanism is affected by changing the slope angle and obtain useful information for the design. In order to achieve this scope we arranged the work as follows: Chapter one: centrifuge modeling of slope failure. In this chapter we provide a general view about the context in which we are working on. Basically we explain what is a slope failure, how it happens and which are the tools available to investigate this phenomenon. Afterwards we introduce the technology used to study this topic, that is the geotechnical centrifuge. Chapter two: testing apparatus. In the first section of this chapter we describe all the procedures and facilities used to perform a test in the centrifuge. Then we explain the characteristics of the soil (Nevada sand), like the dry unit weight, water content, relative density, and its strength parameters (c,φ), which have been calculated in laboratory through the triaxial test. Chapter three: centrifuge tests. In this part of the document are presented all the results from the tests done in centrifuge. When we talk about results we refer to the acceleration at failure for each model tested and its failure surface. In our case study we tested models with the same soil and geometric characteristics but different angles. The angles tested in this research were: 60°, 75° and 90°. Chapter four: slope stability analysis. We introduce the features and the concept of the software: ReSSA (2.0). This software allows us to calculate the theoretical failure surfaces of the prototypes. Then we show in this section the comparisons between the experimental failure surfaces of the prototype, traced in the laboratory, and the one calculated by the software. Chapter five: conclusion. The conclusion of the research presents the results obtained in relation to the two main aims, mentioned above.

Solutions of alkyl methanoates and alkanes: Simultaneous modeling of phase equilibria and mixing properties. Estimation of behavior by UNIFAC with recalculation of parameters.

[EN]Isobaric vapor–liquid equilibria at p = 101.32 kPa (iso-p VLE) and the mixing properties, hE and vE, are determined for a set of twelve binary solutions: HCOOCuH2u+1(1)+CnH2n+2(2) with u = (1–4) and n = (7– 9). The (iso-p VLE) present deviations from the ideal behavior, which augment as u diminishes and n increases. Systems with [u = 2,3 n = 7] and [u =4 , n = 7,8] present a minimum-boiling azeotrope. The nonideality is also reflected in high endothermic values, hE > 0, and expansive effects, vE > 0, for all the binaries, which increase regularly with n

Characterization and modeling of low-frequency noise in MOSFETs

For many years, RF and analog integrated circuits have been mainly developed using bipolar and compound semiconductor technologies due to their better performance. In the last years, the advance made in CMOS technology allowed analog and RF circuits to be built with such a technology, but the use of CMOS technology in RF application instead of bipolar technology has brought more issues in terms of noise. The noise cannot be completely eliminated and will therefore ultimately limit the accuracy of measurements and set a lower limit on how small signals can be detected and processed in an electronic circuit. One kind of noise which affects MOS transistors much more than bipolar ones is the low-frequency noise. In MOSFETs, low-frequency noise is mainly of two kinds: flicker or 1/f noise and random telegraph signal noise (RTS). The objective of this thesis is to characterize and to model the low-frequency noise by studying RTS and flicker noise under both constant and switched bias conditions. The effect of different biasing schemes on both RTS and flicker noise in time and frequency domain has been investigated.

Characterization and modeling of the barrier properties in nanostructured systems

The object of the present study is the process of gas transport in nano-sized materials, i.e. systems having structural elements of the order of nanometers. The aim of this work is to advance the understanding of the gas transport mechanism in such materials, for which traditional models are not often suitable, by providing a correct interpretation of the relationship between diffusive phenomena and structural features. This result would allow the development new materials with permeation properties tailored on the specific application, especially in packaging systems. The methods used to achieve this goal were a detailed experimental characterization and different simulation methods. The experimental campaign regarded the determination of oxygen permeability and diffusivity in different sets of organic-inorganic hybrid coatings prepared via sol-gel technique. The polymeric samples coated with these hybrid layers experienced a remarkable enhancement of the barrier properties, which was explained by the strong interconnection at the nano-scale between the organic moiety and silica domains. An analogous characterization was performed on microfibrillated cellulose films, which presented remarkable barrier effect toward oxygen when it is dry, while in the presence of water the performance significantly drops. The very low value of water diffusivity at low activities is also an interesting characteristic which deals with its structural properties. Two different approaches of simulation were then considered: the diffusion of oxygen through polymer-layered silicates was modeled on a continuum scale with a CFD software, while the properties of n-alkanthiolate self assembled monolayers on gold were analyzed from a molecular point of view by means of a molecular dynamics algorithm. Modeling transport properties in layered nanocomposites, resulting from the ordered dispersion of impermeable flakes in a 2-D matrix, allowed the calculation of the enhancement of barrier effect in relation with platelets structural parameters leading to derive a new expression. On this basis, randomly distributed systems were simulated and the results were analyzed to evaluate the different contributions to the overall effect. The study of more realistic three-dimensional geometries revealed a prefect correspondence with the 2-D approximation. A completely different approach was applied to simulate the effect of temperature on the oxygen transport through self assembled monolayers; the structural information obtained from equilibrium MD simulations showed that raising the temperature, makes the monolayer less ordered and consequently less crystalline. This disorder produces a decrease in the barrier free energy and it lowers the overall resistance to oxygen diffusion, making the monolayer more permeable to small molecules.