Search results for: Molecular Interaction

Authors: K. A. Mistry, I. B. Patel, A. H. Prajapati

Abstract:

In the present work, the alloy of Bismuth-lead is prepared on the basis of percentage of molecular weight 9:1, 5:5 and 1:9 ratios and grown by Zone- Refining Technique under a vacuum atmosphere. The EDAX of these samples are done and the results are reported. Micro hardness test has been used as an alternative test for measuring material’s tensile properties. The effect of temperature and load on the hardness of the grown alloy has been studied. Further the comparative studies of work hardening coefficients are reported.

Keywords: EDAX, hardening coefficient, Micro hardness, Bi-Pb alloy.

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Authors: Tomio Iwasaki, Yosuke Kawahito

Abstract:

The adhesion strength and wettability at the interfaces between a polyetheretherketone (PEEK) resin and titanium dioxide (TiO2) have become more important because direct joining of PEEK resin and titanium (Ti), whose surface has usually the oxide (TiO2), is needed not only in vehicles such as airplanes, automobiles, and space vehicles, but also in medical devices such as implants. To realize strong joint between the PEEK resin and TiO2, the dependence of the adhesion strength and wettability on crystal orientations of rutile TiO2 were investigated by using molecular simulations. Molecular dynamics simulations were conducted by combining quantum-mechanics equation of electrons with Newton’s equation of motion of nuclear coordinates (atomic coordinates). By putting a PEEK-resin sphere on a rutile TiO2 surface and by heating the system to 650 K, the contact angles at the interfaces were calculated to evaluate the wettability. After the system is cooled to 300 K from 650 K, to evaluate the adhesin strength, the adhesive fracture energy is calculated as the difference between the energy of the PEEK-TiO2 attached state and that of the PEEK-TiO2 detached state. The results of the contact angles showed that PEEK resin on the TiO2(100) and that on the TiO2(001) surface has low wettability with large contact angles. On the other hand, PEEK resin on the TiO2(110) surface has high wettability with a small contact angle. The results of the adhesive fracture energies showed that the adhesion at the PEEK-resin/TiO2(100) and PEEK-resin/TiO2(001) interfaces are weak. On the other hand, the adhesion at the PEEK-resin/TiO2(110) interface is strong. To clarify the reason that the higher wettability and stronger adhesion are obtained at the PEEK/TiO2(110) interface than at the at the PEEK/TiO2(100) and PEEK/TiO2(001) interfaces, atomic configurations at the interfaces were visualized. The atomic configuration at the PEEK/TiO2(110) interface showed that the lattice-matched coherent interface is realized, and the atomic density is high. On the other hand, the atomic configuration at the PEEK/TiO2(001) interface showed the lattice-unmatched incoherent interface. The atomic configuration at the PEEK/TiO2(100) interface showed that the atomic density is very low although the lattice-matched interface is realized. Therefore, the lattice matching and the high atomic density at the PEEK/TiO2(001) interface are considered to be dominant factors in the high wettability and strong adhesion.

Keywords: Adhesion, direct joining, PEEK, TiO2, wettability.

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Authors: Le Xuan Cau

Abstract:

Flash flood is occurred in short time rainfall interval: from 1 hour to 12 hours in small and medium basins. Flash floods typically have two characteristics: large water flow and big flow velocity. Flash flood is occurred at hill valley site (strip of lowland of terrain) in a catchment with large enough distribution area, steep basin slope, and heavy rainfall. The risk of flash floods is determined through Gridded Basin Flash Flood Potential Index (GBFFPI). Flash Flood Potential Index (FFPI) is determined through terrain slope flash flood index, soil erosion flash flood index, land cover flash floods index, land use flash flood index, rainfall flash flood index. Determining GBFFPI, each cell in a map can be considered as outlet of a water accumulation basin. GBFFPI of the cell is determined as basin average value of FFPI of the corresponding water accumulation basin. Based on GIS, a tool is developed to compute GBFFPI using ArcObjects SDK for .NET. The maps of GBFFPI are built in two types: GBFFPI including rainfall flash flood index (real time flash flood warning) or GBFFPI excluding rainfall flash flood index. GBFFPI Tool can be used to determine a high flash flood potential site in a large region as quick as possible. The GBFFPI is improved from conventional FFPI. The advantage of GBFFPI is that GBFFPI is taking into account the basin response (interaction of cells) and determines more true flash flood site (strip of lowland of terrain) while conventional FFPI is taking into account single cell and does not consider the interaction between cells. The GBFFPI Map of QuangNam, QuangNgai, DaNang, Hue is built and exported to Google Earth. The obtained map proves scientific basis of GBFFPI.

Keywords: ArcObjects SDK for .NET, Basin average value of FFPI, Gridded basin flash flood potential index, GBFFPI map.

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Authors: Yuhei Kunihiro, Sorin V. Sabau, Kazuhiro Shibuya

Abstract:

We study the molecular evolution of insulin from metric geometry point of view. In mathematics, and in particular in geometry, distances and metrics between objects are of fundamental importance. Using a weaker notion than the classical distance, namely the weighted quasi-metrics, one can study the geometry of biological sequences (DNA, mRNA, or proteins) space. We analyze from geometrical point of view a family of 60 insulin homologous sequences ranging on a large variety of living organisms from human to the nematode C. elegans. We show that the distances between sequences provide important information about the evolution and function of insulin.

Keywords: Metric geometry, evolution, insulin.

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Authors: Bilal Barakeh

Abstract:

In this paper we discuss the effect of unbounded particle interaction operator on particle growth and we study how this can address the choice of appropriate time steps of the numerical simulation. We provide also rigorous mathematical proofs showing that large particles become dominating with increasing time while small particles contribute negligibly. Second, we discuss the efficiency of the algorithm by performing numerical simulations tests and by comparing the simulated solutions with some known analytic solutions to the Smoluchowski equation.

Keywords: Stochastic processes, coagulation of particles, numerical scheme.

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Authors: R.J. Clarke, D. Neely, S. Blake, D.C. Carroll, J.S. Green, R. Heathcote, M. Notley

Abstract:

High Power Lasers produce an intense burst of Bremmstrahlung radiation which has potential applications in broadband x-ray radiography. Since the radiation produced is through the interaction of accelerated electrons with the remaining laser target, these bursts are extremely short – in the region of a few ps. As a result, the laser-produced x-rays are capable of imaging complex dynamic objects with zero motion blur.

Keywords: Bremmstrahlung, Imaging, Laser, Plasma, Radiography, x-ray.

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Authors: H. Mhamdi, N. Hamrouni, A. Temimi, M. Bouhlel

Abstract:

In this article, we expose our research work in Human-machine Interaction. The research consists in manipulating the workspace by eyes. We present some of our results, in particular the detection of eyes and the mouse actions recognition. Indeed, the handicaped user becomes able to interact with the machine in a more intuitive way in diverse applications and contexts. To test our application we have chooses to work in real time on videos captured by a camera placed in front of the user.

Keywords: Computer vision, Face and Eyes Detection, Mouse pointer recognition.

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Authors: S. Yaglikci, B. Salgara, F. Soysal, B. Cicek

Abstract:

Chemical vapor deposition method was used to produce carbon nanotubes on an iron based catalyst from acetylene. Gas-phase samples collected from the different positions of the tubular reactor were analyzed by GC/MS. A variety of species ranging from hydrogen to naphthalene were observed and changes in their concentrations were plotted against the reactor position. Briefly benzene, toluene, styrene, indene and naphthalene were the main higher molecular weight species and vinylacetylene and diacetylene were the important intermediates. Nanotube characterization was performed by scanning electron microscopy and transmission electron microscopy.

Keywords: Carbon nanotubes, chemical vapor deposition, GC/MS, species profile

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Authors: Antonio Di Leva, Roberto Berchi, Gianpiero Pescarmona, Michele Sonnessa

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The aim of a biological model is to understand the integrated structure and behavior of complex biological systems as a function of the underlying molecular networks to achieve simulation and forecast of their operation. Although several approaches have been introduced to take into account structural and environment related features, relatively little attention has been given to represent the behavior of biological systems. The Abstract Biological Process (ABP) model illustrated in this paper is an object-oriented model based on UML (the standard object-oriented language). Its main objective is to bring into focus the functional aspects of the biological system under analysis.

Keywords: Biological processes, system dynamics, systemmodeling, UML.

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Authors: Hui Wang, Harish Padmanabhan, David Thomson, Krassen Dimitrov

Abstract:

Two optimized strategies were successfully established to develop biomolecule-based magnetic nanoassemblies. Streptavidin-coated and amine-coated magnetic nanoparticles were chosen as model scaffolds onto which double-stranded DNA and human immunoglobulin G were specifically conjugated in succession, using biotin-streptavidin interaction or covalent cross-linkers. The success of this study opens the prospect of developing selective and sensitive nanoparticle-based structures for diagnostics or drug delivery.

Keywords: Antibody, DNA, linker, magnetic nanoparticles, streptavidin

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Authors: Mohamed H. Elhsnawi, Mesbah M. Salem, Saleh B. Mohamed

Abstract:

Numerical simulation performed to investigate the behavior of the high pressure hydrogen jetting of air. High pressure hydrogen (30–40 MPa) was injected to air at atmospheric pressure through 2mm orifice. Numerical simulations were performed with Kiva3V code with 2D axisymmetric geometry. Numerical simulations showed that auto ignition of high pressure hydrogen to air are possible due to molecular diffusion. Auto ignition was predicted at hydrogen-air contact surface due to mass and energy exchange between high temperature hydrogen and air heated by shock wave.

Keywords: Spontaneous Ignition, Diffusion Ignition, Hydrogen ignition, Hydrogen Jet.

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Authors: Rinaldo Christian Tanumara, Ming Xie

Abstract:

Color categorization is shared among members in a society. This allows communication of color, especially when using natural language such as English. Hence sociable robot, to live coexist with human in human society, must also have the shared color categorization. To achieve this, many works have been done relying on modeling of human color perception and mathematical complexities. In contrast, in this work, the computer as brain of the robot learns color categorization through interaction with humans without much mathematical complexities.

Keywords: Color categorization, color learning, machinelearning.

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Authors: Shaiemaa, A. Momen, Dalia, A.M. Salem, Emad, M.S. Barakat, Mohamed, S. Salama

Abstract:

The present study has been conducted to characterize the prophenoloxidase (PPO) system of the desert locust, Schistocerca gregaria following injection of Bacillus thuringiensis kurstaki (Bt). The bulk of PPO system was associated with haemocytes and a little amount was found in plasma. This system was activated by different activators such as laminarin, lipopolysaccharide (LPS) and trypsin suggesting that the stimulatory mechanism may involve an enzyme cascade of one or more associated molecules. These activators did not activate all the molecules of the cascade. Presence of phenoloxidase activity (PO) coincides with the appearance of protein band with molecular weight (MW) 70.154 KD (Kilo Dalton).

Keywords: Schistocerca gregaria, haemolymph, proteins, prophenoloxidase system, phenoloxidase

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Authors: Tomasz M. Jankowski

Abstract:

The basis of this paper is the assumption, that graviton is a measurable entity of molecular gravitational acceleration and this is not a hypothetical entity. The adoption of this assumption as an axiom is tantamount to fully opening the previously locked door to the boundary theory between laminar and turbulent flows. It leads to the theorem, that the division of flows of Newtonian (viscous) fluids into laminar and turbulent is true only, if the fluid is influenced by a powerful, external force field. The mathematical interpretation of this theorem, presented in this paper shows, that the boundary between laminar and turbulent flow can be determined theoretically. This is a novelty, because thus far the said boundary was determined empirically only and the reasons for its existence were unknown.

Keywords: Freed gravitons, free gravitons.

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Authors: Wei Hu, Tianzhou Chen, Qingsong Shi

Abstract:

In recent years, the development of e-learning is very rapid. E-learning is an attractive and efficient way for computer education. Student interaction and collaboration also plays an important role in e-learning. In this paper, a collaborative web-based e-learning environment is presented. A wide range of interactive and collaborative methods are integrated into a web-based environment. This e-learning environment is designed for information security curriculum.

Keywords: E-learning, information Security, curriculum, web-based environment.

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Authors: M. Kumpugdee-Vollrath, T. Subongkot, T. Ngawhirunpat

Abstract:

In this project we are interested in studying different kinds of shed snake skins in order to apply them as a model membrane for pharmaceutical purposes instead of human stratum corneum. Many types of shed snake skins as well as model drugs were studied by different techniques. The data will give deeper understanding about the interaction between drugs and model membranes and may allow us to choose the suitable model membrane for studying the effect of pharmaceutical products.

Keywords: DSC, FTIR, permeation, SAXS, shed snake skin.

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Authors: C. Oprean, C. V. Kifor, S. C. Negulescu, C. Candea, L. Oprean, C. Oprean, S. Kifor

Abstract:

This paper presents an innovative approach within the area of Group Decision Support System (GDSS) by using tools based on intelligent agents. It introduces iGDSS, a software platform for decision support and collaboration and an application of this platform - eCollaborative Decisions - for academic environment, all these developed within a framework of a research project.

Keywords: Group Decision Support System, Managerial Academic Decisions, Computer Interaction.

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Authors: R. Bendib, A. Khelassi

Abstract:

In this paper we will consider the most known ratios control schemes ((L/D, V/B),(L/D,V/F), Ryskamp-s, and (D/(L+D),V/B)) for binary distillation column and we compare them in the basis of interactions and disturbance propagation. The models for these configurations are deuced using mathematical transformations taking the energy balance structure (LV) as a base model. The dynamic relative magnitude criterion (DRMC) is used to assess the interactions. The results show that the introduction of ratios in controlling the column tends to minimize the degree of interactions between the loops.

Keywords: Distillation, interaction, DRMC, configurations.

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Authors: Young-Tae Lee, Hee-Chang Lim

Abstract:

This paper presents the performance characteristics of Darrieus-type vertical axis wind turbine (VAWT) with NACA airfoil blades. The performance of Darrieus-type VAWT can be characterized by torque and power. There are various parameters affecting the performance such as chord length, helical angle, pitch angle and rotor diameter. To estimate the optimum shape of Darrieustype wind turbine in accordance with various design parameters, we examined aerodynamic characteristics and separated flow occurring in the vicinity of blade, interaction between flow and blade, and torque and power characteristics derived from it. For flow analysis, flow variations were investigated based on the unsteady RANS (Reynolds-averaged Navier-Stokes) equation. Sliding mesh algorithm was employed in order to consider rotational effect of blade. To obtain more realistic results we conducted experiment and numerical analysis at the same time for three-dimensional shape. In addition, several parameters (chord length, rotor diameter, pitch angle, and helical angle) were considered to find out optimum shape design and characteristics of interaction with ambient flow. Since the NACA airfoil used in this study showed significant changes in magnitude of lift and drag depending on an angle of attack, the rotor with low drag, long cord length and short diameter shows high power coefficient in low tip speed ratio (TSR) range. On the contrary, in high TSR range, drag becomes high. Hence, the short-chord and long-diameter rotor produces high power coefficient. When a pitch angle at which airfoil directs toward inside equals to -2° and helical angle equals to 0°, Darrieus-type VAWT generates maximum power.

Keywords: Darrieus wind turbine, VAWT, NACA airfoil, performance.

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Authors: Chiung-Hui Chen

Abstract:

Traditional service channel is losing its edge due to emerging service technology. To establish interaction with the clients, the service industry is using effective mechanism to give clients direct access to services with emerging technologies. Thus, as service science receives attention, special and unique consumption pattern evolves; henceforth, leading to new market mechanism and influencing attitudes toward life and consumption patterns. The market demand for customized services is thus valued due to the emphasis of personal value, and is gradually changing the demand and supply relationship in the traditional industry. In respect of interior design service, in the process of traditional interior design, a designer converts to a concrete form the concept generated from the ideas and needs dictated by a user (client), by using his/her professional knowledge and drawing tool. The final product is generated through iterations of communication and modification, which is a very time-consuming process. Although this process has been accelerated with the help of computer graphics software today, repeated discussions and confirmations with users are still required to complete the task. In consideration of what is addressed above a space user’s life model is analyzed with visualization technique to create an interaction system modeled after interior design knowledge. The space user document intuitively personal life experience in a model requirement chart, allowing a researcher to analyze interrelation between analysis documents, identify the logic and the substance of data conversion. The repeated data which is documented are then transformed into design information for reuse and sharing. A professional interior designer may sort out the correlation among user’s preference, life pattern and design specification, thus deciding the critical design elements in the process of service design.

Keywords: Information Design, Life Model-Based, Aesthetic Computing, Communication.

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Authors: Aouachria Mekki

Abstract:

We consider a spin-1/2 particle interacting with a time-dependent magnetic field using path integral formalism. The propagator is first of all written in the standard form replacing the spin by two fermionic oscillators via the Schwinger model. The propagator is then exactly determined, thanks to a simple transformation, and the transition probability is deduced.

Keywords: Path integral, formalism, Propagator.

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Authors: V. Barbakadze, L. Gogilashvili, L. Amiranashvili, M. Merlani, K. Mulkijanyan

Abstract:

The high-molecular water-soluble preparations from several species of two genera (Symphytum and Anchusa) of Boraginaceae family Symphytum asperum, S. caucasicum, S.officinale and Anchusa italica were isolated. According to IR, 13C and 1H NMR, APT, 1D NOE, 2D heteronuclear 1H/13C HSQC and 2D DOSY experiments, the main chemical constituent of these preparations was found to be caffeic acid-derived polyether, namely poly[3-(3,4-dihydroxyphenyl)glyceric acid] (PDPGA) or poly[oxy-1- carboxy-2-(3,4-dihydroxyphenyl)ethylene]. Most carboxylic groups of this caffeic acid-derived polymer of A. italica are methylated.

Keywords: Anchusa, poly[3-(3, 4-dihydroxyphenyl)glyceric acid], poly[oxy-1-carboxy-2-(3, 4-dihydroxyphenyl)ethylene], Symphytum.

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Authors: Atamas N. A., Atamas A. A.

Abstract:

Energetic and structural results for ethanol-water mixtures as a function of the mole fraction were calculated using Monte Carlo methodology. Energy partitioning results obtained for equimolar water-ethanol mixture and ether organic liquids are compared. It has been shown that at xet=0.22 the RDFs for waterethanol and ethanol-ethanol interactions indicated strong hydrophobic interactions between ethanol molecules and the local structure of solution is less structured at this concentration as at ether ones. Results obtained for ethanol-water mixture as a function of concentration are in good agreement with the experimental data.

Keywords: Ethanol, molecular liquids, Monte Carlo, water, thermodynamics.

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Authors: Kazutoshi Shishido, Sanehiro Muromachi, Ryo Ohmura

Abstract:

This paper reports the three-phase (gas + liquid + hydrate) equilibrium pressure versus temperature data for a (O3 + O2 + CO2 + H2O) system for developing the hydrate-based technology to preserve ozone, a chemically unstable substance, for various industrial, medical and consumer uses. These data cover the temperature range from 272 K to 277 K, corresponding to pressures from 1.6 MPa to 3.1 MPa, for each of the three different (O3 + O2)-to-CO2 or O2-to-CO2 molar ratios in the gas phase, which are approximately 4 : 6, 5 : 5, respectively. The mole fraction of ozone in the gas phase was ~0.03 , which are the densest ozone fraction to artificially form O3 containing hydrate ever reported in the literature. Based on these data, the formation of hydrate containing high-concentration ozone, as high as 1 mass %, will be expected.

Keywords: Clathrate hydrate, Ozone, Molecule storage, Sterilization.

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Authors: J. Baskar Babujee, J. Senbagamalar,

Abstract:

The topological distance between a pair of vertices i and j, which is denoted by d(vi, vj), is the number of edges of the shortest path joining i and j. The Wiener index W(G) is the sum of distances between all pairs of vertices of a graph G. W(G) = i

Keywords: Graph, Degree, Distance, Pendent vertex, Wiener index, Tree.

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Authors: M. Tahar Bouzaher

Abstract:

This study involves a numerical simulation of the flow around a NACA2415 airfoil, with a 15°angle of attack, and flow separation control using a rod, It reposes inputting a cylindrical rod upstream of the leading edge in order to accelerate the transition of the boundary layer by interaction between the rod wake and the boundary layer. The viscous, non-stationary flow is simulated using ANSYS FLUENT 13. Our results showed a substantial modification in the flow behavior and a maximum drag reduction of 51%.

Keywords: CFD, Flow separation, Active control, Boundary layer, rod, NACA 2415.

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Authors: M. Meskinfam , M. S. Sadjadi , H. Jazdarreh

Abstract:

In this study, synthesis of biomemitic patterned nano hydroxyapatite-starch biocomposites using different concentration of starch to evaluate effect of polymer alteration on biocomposites structural properties has been reported. Formation of hydroxyapatite nano particles was confirmed by X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FT-IR). Size and morphology of the samples were characterized using scanning and transmission electron microscopy (SEM and TEM). It seems that by increasing starch content, the more active site of polymer (oxygen atoms) can be provided for interaction with Ca2+ followed by phosphate and hydroxyl group.

Keywords: Biocomposite, Biomimetic, Nano hydroxyapatite, Starch

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Authors: Pierre Abou-Haila, Richard Hall, Mark Dawes

Abstract:

Instead of representing individual cognition only, population cognition is represented using artificial neural networks whilst maintaining individuality. This population network trains continuously, simulating adaptation. An implementation of two coexisting populations is compared to the Lotka-Volterra model of predator-prey interaction. Applications include multi-agent systems such as artificial life or computer games.

Keywords: Collective unconsciousness, neural networks, adaptation, predator-prey simulation.

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Authors: R. M. López-Gutiérrez, L. Cardoza-Avendaño, H. Cervantes-De Ávila, J. A. Michel-Macarty, C. Cruz-Hernández, A. Arellano-Delgado, R. Carmona-Rodríguez

Abstract:

In this paper, synchronization of multiple chaotic semiconductor lasers is achieved by appealing to complex system theory. In particular, we consider dynamical networks composed by semiconductor laser, as interconnected nodes, where the interaction in the networks are defined by coupling the first state of each node. An interest case is synchronized with master-slave configuration in star topology. Nodes of these networks are modeled for the laser and simulate by Matlab. These results are applicable to private communication.

Keywords: Synchronization, chaotic laser, network.

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Authors: I. Restrepo, S. Solorzano

Abstract:

This work was focused in to study the compatibility, dispersion and exfoliation of modified nanoclays in biodegradable polymers and evaluate its effect on the physical, mechanical and thermal properties on the biodegradable matrix used. The formulations have been developed with polylactic acid (PLA) and organically modified montmorillonite-type commercial nanoclays (Cloisite 15, Cloisite 20, and Cloisite 30B) in the presence of a plasticizer agent, specifically Polyethylene Glycol of low molecular weight. Different compositions were evaluated, in order to identify the influence of each nanoclayin the polymeric matrix. The mixtures were characterized by thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), X-ray diffraction (DRX), transmission electron microscopy (TEM) and Tensile Test. These tests have allowed understanding the behavior of each of the mixtures developed.

Keywords: Biopolymers, Nanoclays, polylacticacid (PLA), polymer blends.

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