Search results for: particle interaction.

Authors: A. A. Khan, M. Naeem, S. Bashir, S. I. Shah

Abstract:

In this paper we propose a Particle Swarm heuristic optimized Multi-Antenna (MA) system. Efficient MA systems detection is performed using a robust stochastic evolutionary computation algorithm based on movement and intelligence of swarms. This iterative particle swarm optimized (PSO) detector significantly reduces the computational complexity of conventional Maximum Likelihood (ML) detection technique. The simulation results achieved with this proposed MA-PSO detection algorithm show near optimal performance when compared with ML-MA receiver. The performance of proposed detector is convincingly better for higher order modulation schemes and large number of antennas where conventional ML detector becomes non-practical.

Keywords: Multi Antenna (MA), Multi-input Multi-output(MIMO), Particle Swarm Optimization (PSO), ML detection.

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Authors: Partha P. Gopmandal, S. Bhattacharyya

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We have studied the migration of a charged permeable aggregate in electrolyte under the influence of an axial electric field and pressure gradient. The migration of the positively charged aggregate leads to a deformation of the anionic cloud around it. The hydrodynamics of the aggregate is governed by the interaction of electroosmotic flow in and around the particle, hydrodynamic friction and electric force experienced by the aggregate. We have computed the non-linear Nernest-Planck equations coupled with the Dracy- Brinkman extended Navier-Stokes equations and Poisson equation for electric field through a finite volume method. The permeability of the aggregate enable the counterion penetration. The penetration of counterions depends on the volume charge density of the aggregate and ionic concentration of electrolytes at a fixed field strength. The retardation effect due to the double layer polarization increases the drag force compared to an uncharged aggregate. Increase in migration sped from the electrophretic velocity of the aggregate produces further asymmetry in charge cloud and reduces the electric body force exerted on the particle. The permeability of the particle have relatively little influence on the electric body force when Double layer is relatively thin. The impact of the key parameters of electrokinetics on the hydrodynamics of the aggregate is analyzed.

Keywords: Electrophoresis, Advective flow, Polarization effect, Numerical solution.

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Authors: S. S. Pati, L. Herojit Singh, A. C. Oliveira, V. K. Garg

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Chitosan functionalized Fe3O4-Au core shell nanoparticles have been prepared using a two-step wet chemical approach using NaBH4 as reducing agent for formation of Au in ethylene glycol. X-ray diffraction studies shows individual phases of Fe3O4 and Au in the as prepared samples with crystallite size of 5.9 and 11.4 nm respectively. The functionalization of the core-shell nanostructure with Chitosan has been confirmed using Fourier transform infrared spectroscopy along with signatures of octahedral and tetrahedral sites of Fe3O4 below 600cm-1. Mössbauer spectroscopy shows decrease in particle-particle interaction in presence of Au shell (72% sextet) than pure oleic coated Fe3O4 nanoparticles (88% sextet) at room temperature. At 80K, oleic acid coated Fe3O4 shows only sextets whereas the Chitosan functionalized Fe3O4 and Chitosan functionalized Fe3O4@Au core shell show presence of 5 and 11% doublet, respectively.

Keywords: Magnetic nanoparticles, Fe3O4@Au core shell, iron oxide, Au nanoparticles.

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Authors: M. Hossain, H. P. Zhu, A. B. Yu

Abstract:

This paper presents a numerical investigation of regime transition of flow of ellipsoidal particles and a comparison with that of spherical particle assembly. Particle assemblies constituting spherical and ellipsoidal particle of 2.5:1 aspect ratio are examined at separate instances in similar flow conditions in a shear cell model that is numerically developed based on the discrete element method. Correlations among elastically scaled stress, kinetically scaled stress, coordination number and volume fraction are investigated, and show important similarities and differences for the spherical and ellipsoidal particle assemblies. In particular, volume fractions at points of regime transition are identified for both types of particles. It is found that compared with spherical particle assembly, ellipsoidal particle assembly has higher volume fraction for the quasistatic to intermediate regime transition and lower volume fraction for the intermediate to inertial regime transition. Finally, the relationship between coordination number and volume fraction shows strikingly distinct features for the two cases, suggesting that different from spherical particles, the effect of the shear rate on the coordination number is not significant for ellipsoidal particles. This work provides a glimpse of currently running work on one of the most attractive scopes of research in this field and has a wide prospect in understanding rheology of more complex shaped particles in light of the strong basis of simpler spherical particle rheology.

Keywords: Discrete element method, granular rheology, non-spherical particles, regime transition

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Authors: Hassan Azarkish, Said Farahat, S.Masoud H. Sarvari

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In the present work, the performance of the particle swarm optimization and the genetic algorithm compared as a typical geometry design problem. The design maximizes the heat transfer rate from a given fin volume. The analysis presumes that a linear temperature distribution along the fin. The fin profile generated using the B-spline curves and controlled by the change of control point coordinates. An inverse method applied to find the appropriate fin geometry yield the linear temperature distribution along the fin corresponds to optimum design. The numbers of the populations, the count of iterations and time to convergence measure efficiency. Results show that the particle swarm optimization is most efficient for geometry optimization.

Keywords: Genetic Algorithm, Geometry Optimization, longitudinal Fin, Particle Swarm Optimization

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Authors: Barzin Gavtash, Khalid Hussain, Mohammad Layeghi, Saeed Sadeghi Lafmejani

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This research aims at modeling and simulating the effects of nanofluids on cylindrical heat pipes thermal performance using the ANSYS-FLUENT CFD commercial software. The heat pipe outer wall temperature distribution, thermal resistance, liquid pressure and axial velocity in presence of suspended nano-scaled solid particle (i.e. Cu, Al2O3 and TiO2) within the fluid (water) were investigated. The effect of particle concentration and size were explored and it is concluded that the thermal performance of the heat pipe is improved when using nanofluid as the system working fluid. Additionally, it was observed that the thermal resistance of the heat pipe drops as the particle concentration level increases and particle radius decreases.

Keywords: CFD, Heat Pipe, Nanofluid, Thermal resistance

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Authors: Mohammad Taha, Dia abu al Nadi

Abstract:

In this paper, the phase control antenna array synthesis is presented. The problem is formulated as a constrained optimization problem that imposes nulls with prescribed level while maintaining the sidelobe at a prescribed level. For efficient use of the algorithm memory, compared to the well known Particle Swarm Optimization (PSO), the Accelerated Particle Swarm Optimization (APSO) is used to estimate the phase parameters of the synthesized array. The objective function is formed using a main objective and set of constraints with penalty factors that measure the violation of each feasible solution in the search space to each constraint. In this case the obtained feasible solution is guaranteed to satisfy all the constraints. Simulation results have shown significant performance increases and a decreased randomness in the parameter search space compared to a single objective conventional particle swarm optimization.

Keywords: Array synthesis, Sidelobe level control, Constrainedoptimization, Accelerated Particle Swarm Optimization.

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Authors: Tadaaki Sato, Ryo Ohmura

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This paper reports the influence of sucrose on the preservation of CO2 hydrate crystal samples. The particle diameter of hydrate samples were 1.0 and 5.6-8.0 mm. Mass fraction of sucrose in the sample was 0.16. The samples were stored at the aerated condition under atmospheric pressure and at the temperature of 253 or 258 K. The results indicated that the mass fractions of CO2 hydrate in the samples with sucrose were 0.10 ± 0.03 at the end of 3-week preservation, regardless of temperature and particle diameter. Mass fraction of CO2 hydrate in the samples with sucrose was higher than that of pure CO2 hydrate for 1.0 mm particle diameter, while was lower than that of pure CO2 hydrate for 5.6-8.0 mm particle diameter. Discussion is made on the influence of sucrose on the dissociation of CO2 hydrate and the resulting formation of ice.

Keywords: Clathrate hydrates, Carbon dioxide

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Authors: E. Petrakis, V. Karmali, K. Komnitsas

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In this study grinding experiments were performed in a laboratory ball mill using Polish ferronickel slag in order to study the effect of the particle size on alkali activation and the properties of the produced alkali activated materials (AAMs). In this regard, the particle size distribution and the specific surface area of the grinding products in relation to grinding time were assessed. The experimental results show that products with high compressive strength, e.g. higher than 60 MPa, can be produced when the slag median size decreased from 39.9 μm to 11.9 μm. Also, finer fractions are characterized by higher reactivity and result in the production of AAMs with lower porosity and better mechanical properties.

Keywords: Alkali activated materials, compressive strength, particle size distribution, slag.

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Authors: Ahmed Mahmoudi, Imen Mejri, Mohamed A. Abbassi, Ahmed Omri

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A new algorithm based on the lattice Boltzmann method (LBM) is proposed as a potential solver for one-dimensional heat and mass transfer for isothermal carbonization of wood particles. To check the validity of this algorithm, the LBM results have been compared with the published data and a good agreement is obtained. Then, the model is used to study the effect of reactor temperature and particle size on the evolution of the local temperature and mass loss inside the wood particle.

Keywords: Lattice Boltzmann Method, pyrolysis, conduction, carbonization.

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Authors: A. Maghari, V. H. Maleki

Abstract:

In this paper, we present a quantum statistical mechanical formulation from our recently analytical expressions for partial-wave transition matrix of a three-particle system. We report the quantum reactive cross sections for three-body scattering processes 1+(2,3)→1+(2,3) as well as recombination 1+(2,3)→1+(3,1) between one atom and a weakly-bound dimer. The analytical expressions of three-particle transition matrices and their corresponding cross-sections were obtained from the threedimensional Faddeev equations subjected to the rank-two non-local separable potentials of the generalized Yamaguchi form. The equilibrium quantum statistical mechanical properties such partition function and equation of state as well as non-equilibrium quantum statistical properties such as transport cross-sections and their corresponding transport collision integrals were formulated analytically. This leads to obtain the transport properties, such as viscosity and diffusion coefficient of a moderate dense gas.

Keywords: Statistical mechanics, Nonlocal separable potential, three-body interaction, Faddeev equations.

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Authors: Marc Landry, Azeddine Kaddouri, Yassine Bouslimani, Mohsen Ghribi

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In this paper, a new alignment method based on the particle swarm optimization (PSO) technique is presented. The PSO algorithm is used for locating the optimal coupling position with the highest optical power with three-degrees of freedom alignment. This algorithm gives an interesting results without a need to go thru the complex mathematical modeling of the alignment system. The proposed algorithm is validated considering practical tests considering the alignment of two Single Mode Fibers (SMF) and the alignment of SMF and PCF fibers.

Keywords: Particle-swarm optimization, optical fiber, automatic alignment.

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Authors: Jana Puchyova

Abstract:

In recent years a number of applications with multirobot systems (MRS) is growing in various areas. But their design is in practice often difficult and algorithms are proposed for the theoretical background and do not consider errors and noise in real conditions, so they are not usable in real environment. These errors are visible also in task of target localization enough, when robots try to find and estimate the position of the target by the sensors. Localization of target is possible also with one robot but as it was examined target finding and localization with group of mobile robots can estimate the target position more accurately and faster. The accuracy of target position estimation is made by cooperation of MRS and particle filtering. Advantage of usage the MRS with particle filtering was tested on task of fixed target localization by group of mobile robots.

Keywords: Multi-robot system, particle filter, position estimation, target localization.

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Authors: Hidehiko Okada

Abstract:

The author proposes an extension of particle swarm optimization (PSO) for solving interval-valued optimization problems and applies the extended PSO to evolutionary training of neural networks (NNs) with interval weights. In the proposed PSO, values in the genotypes are not real numbers but intervals. Experimental results show that interval-valued NNs trained by the proposed method could well approximate hidden target functions despite the fact that no training data was explicitly provided.

Keywords: Evolutionary algorithms, swarm intelligence, particle swarm optimization, neural network, interval arithmetic.

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Authors: Alireza Sadrmomtaz

Abstract:

Positron emission particle tracking (PEPT) is a technique in which a single radioactive tracer particle can be accurately tracked as it moves. A limitation of PET is that in order to reconstruct a tomographic image it is necessary to acquire a large volume of data (millions of events), so it is difficult to study rapidly changing systems. By considering this fact, PEPT is a very fast process compared with PET. In PEPT detecting both photons defines a line and the annihilation is assumed to have occurred somewhere along this line. The location of the tracer can be determined to within a few mm from coincident detection of a small number of pairs of back-to-back gamma rays and using triangulation. This can be achieved many times per second and the track of a moving particle can be reliably followed. This technique was invented at the University of Birmingham [1]. The attempt in PEPT is not to form an image of the tracer particle but simply to determine its location with time. If this tracer is followed for a long enough period within a closed, circulating system it explores all possible types of motion. The application of PEPT to industrial process systems carried out at the University of Birmingham is categorized in two subjects: the behaviour of granular materials and viscous fluids. Granular materials are processed in industry for example in the manufacture of pharmaceuticals, ceramics, food, polymers and PEPT has been used in a number of ways to study the behaviour of these systems [2]. PEPT allows the possibility of tracking a single particle within the bed [3]. Also PEPT has been used for studying systems such as: fluid flow, viscous fluids in mixers [4], using a neutrally-buoyant tracer particle [5].

Keywords: PET, BGO, Particle Tracking, ECAT 931, List mode, PEPT.

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Authors: R. Simutis, V. Galvanauskas, D. Levisauskas, J. Repsyte, V. Grincas

Abstract:

This paper deals with advanced state estimation algorithms for estimation of biomass concentration and specific growth rate in a typical fed-batch biotechnological process. This biotechnological process was represented by a nonlinear mass-balance based process model. Extended Kalman Filter (EKF) and Particle Filter (PF) was used to estimate the unmeasured state variables from oxygen uptake rate (OUR) and base consumption (BC) measurements. To obtain more general results, a simplified process model was involved in EKF and PF estimation algorithms. This model doesn’t require any special growth kinetic equations and could be applied for state estimation in various bioprocesses. The focus of this investigation was concentrated on the comparison of the estimation quality of the EKF and PF estimators by applying different measurement noises. The simulation results show that Particle Filter algorithm requires significantly more computation time for state estimation but gives lower estimation errors both for biomass concentration and specific growth rate. Also the tuning procedure for Particle Filter is simpler than for EKF. Consequently, Particle Filter should be preferred in real applications, especially for monitoring of industrial bioprocesses where the simplified implementation procedures are always desirable.

Keywords: Biomass concentration, Extended Kalman Filter, Particle Filter, State estimation, Specific growth rate.

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Authors: Christopher Deekia Nwimae, Nigel Simms, Liyun Lao

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Erosion in a pipe bends caused by particles is a major concern in the oil and gas fields and might cause breakdown to production equipment. This work investigates the effect of sand particle transport in an elbow using computational fluid dynamics (CFD) approach. Two-way coupled Euler-Lagrange and discrete phase model is employed to calculate the air/solid particle flow in the elbow. Generic erosion model in Ansys fluent and three particle rebound models are used to predict the erosion rate on the 90° elbows. The model result is compared with experimental data from the open literature validating the CFD-based predictions which reveals that due to the sand particles impinging on the wall of the elbow at high velocity, a point on the pipe elbow were observed to have started turning red due to velocity increase and the maximum erosion locations occur at 48°.

Keywords: Erosion, prediction, elbow, computational fluid dynamics, CFD.

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Authors: Samindi Samarakoon, Ørjan Sletbakk Vie, Remi Kleiven Fjelldal

Abstract:

White concrete facade elements are widely used in construction industry. It is challenging to achieve the desired workability in casting of white concrete elements. Particle Matrix model was used for proportioning the self-compacting white concrete (SCWC) to control segregation and bleeding and to improve workability. The paper presents how to reach the target slump flow while controlling bleeding and segregation in SCWC. The amount of aggregates, binders and mixing water, as well as type and dosage of superplasticizer (SP) to be used are the major factors influencing the properties of SCWC. Slump flow and compressive strength tests were carried out to examine the performance of SCWC, and the results indicate that the particle matrix model could produce successfully SCWC controlling segregation and bleeding.

Keywords: Mix design, particle, matrix model, white concrete.

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Authors: R. Alias, A. Kasa, M. R. Taha

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The effect of particle size on shear strength of granular materials are investigated using direct shear tests. Small direct shear test (60 mm by 60 mm by 24 mm deep) were conducted for particles passing the sieves with opening size of 2.36 mm. Meanwhile, particles passing the standard 20 mm sieves were tested using large direct shear test (300 mm by 300 mm by 200 mm deep). The large direct shear tests and the small direct shear tests carried out using the same shearing rate of 0.09 mm/min and similar normal stresses of 100, 200 and 300 kPa. The results show that the peak and residual shear strength increases as particle size increases.

Keywords: Particle size, shear strength, granular material, direct shear test.

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Authors: M. Dehestani, M. Ghasemi-Kooch

Abstract:

In this work, adsorption of chlorophylls a and b pigments in aqueous solution on the inner and outer surfaces of single-walled carbon nanotube (SWCNT) has been studied using molecular dynamics simulation. The linear interaction energy algorithm has been used to calculate the binding free energy. The results show that the adsorption of two pigments is fine on the both positions. Although there is the close similarity between these two pigments, their interaction with the nanotube is different. This result is useful to separate these pigments from one another. According to interaction energy between the pigments and carbon nanotube, interaction between these pigments-SWCNT on the inner surface is stronger than the outer surface. The interaction of SWCNT with chlorophylls phytol tail is stronger than the interaction of SWCNT with porphyrin ring of chlorophylls.

Keywords: Dynamic simulation, single walled carbon nanotube, chlorophyll, adsorption.

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Authors: Supriya Gupta, Paresh Chokshi

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Polymer-particle interactions can be effectively utilized to produce composites that possess physicochemical properties superior to that of neat polymer. The incorporation of fillers with dimensions comparable to polymer chain size produces composites with extra-ordinary properties owing to very high surface to volume ratio. The dispersion of nanoparticles is achieved by inducing steric repulsion realized by grafting particles with polymeric chains. A comprehensive understanding of the interparticle interaction between these functionalized nanoparticles plays an important role in the synthesis of a stable polymer nanocomposite. With the focus on incorporation of clay sheets in a polymer matrix, we theoretically construct the polymer mediated interparticle potential for two nanosheets grafted with polymeric chains. The self-consistent field theory (SCFT) is employed to obtain the inhomogeneous composition field under equilibrium. Unlike the continuum models, SCFT is built from the microscopic description taking in to account the molecular interactions contributed by both intra- and inter-chain potentials. We present the results of SCFT calculations of the interaction potential curve for two grafted nanosheets immersed in the matrix of polymeric chains of dissimilar chemistry to that of the grafted chains. The interaction potential is repulsive at short separation and shows depletion attraction for moderate separations induced by high grafting density. It is found that the strength of attraction well can be tuned by altering the compatibility between the grafted and the mobile chains. Further, we construct the interaction potential between two nanosheets grafted with diblock copolymers with one of the blocks being chemically identical to the free polymeric chains. The interplay between the enthalpic interaction between the dissimilar species and the entropy of the free chains gives rise to a rich behavior in interaction potential curve obtained for two separate cases of free chains being chemically similar to either the grafted block or the free block of the grafted diblock chains.

Keywords: Clay nanosheets, polymer brush, polymer nanocomposites, self-consistent field theory.

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Authors: Mahamed G.H. Omran, Andries P Engelbrecht, Ayed Salman

Abstract:

A new dynamic clustering approach (DCPSO), based on Particle Swarm Optimization, is proposed. This approach is applied to unsupervised image classification. The proposed approach automatically determines the "optimum" number of clusters and simultaneously clusters the data set with minimal user interference. The algorithm starts by partitioning the data set into a relatively large number of clusters to reduce the effects of initial conditions. Using binary particle swarm optimization the "best" number of clusters is selected. The centers of the chosen clusters is then refined via the Kmeans clustering algorithm. The experiments conducted show that the proposed approach generally found the "optimum" number of clusters on the tested images.

Keywords: Clustering Validation, Particle Swarm Optimization, Unsupervised Clustering, Unsupervised Image Classification.

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Authors: M. Rahimnejad, B. Vahidi, B. Ebrahimi Hoseinzadeh, F. Yazdian, P. Motamed Fath, R. Jamjah

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In this study, we developed and simulated nano-drug delivery systems efficacy in compare to free drug prescription. Computational models can be utilized to accelerate experimental steps and control the experiments high cost. Molecular dynamics simulation (MDS), in particular NAMD was utilized to better understand the anti-cancer drug interaction with cell membrane model. Paclitaxel (PTX) and dipalmitoylphosphatidylcholine (DPPC) were selected for the drug molecule and as a natural phospholipid nanocarrier, respectively. This work focused on two important interaction parameters between molecules in terms of center of mass (COM) and van der Waals interaction energy. Furthermore, we compared the simulation results of the PTX interaction with the cell membrane and the interaction of DPPC as a nanocarrier loaded by the drug with the cell membrane. The molecular dynamic analysis resulted in low energy between the nanocarrier and the cell membrane as well as significant decrease of COM amount in the nanocarrier and the cell membrane system during the interaction. Thus, the drug vehicle showed notably better interaction with the cell membrane in compared to free drug interaction with the cell membrane.

Keywords: Anti-cancer drug, center of Mass, interaction energy, molecular dynamics simulation, nanocarrier.

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Authors: Wei-Lun Hsu, Mon-Jyh Lin, Jyh-Ping Hsu

Abstract:

The dissolution of spherical particles in liquids is analyzed dynamically. Here, we consider the case the dissolution of solute yields a solute-free solid phase in the outer portion of a particle. As dissolution proceeds, the interface between the undissolved solid phase and the solute-free solid phase moves towards the center of the particle. We assume that there exist two resistances for the diffusion of solute molecules: the resistance due to the solute-free portion of the particle and that due to a surface layer near solid-liquid interface. In general, the equation governing the dynamic behavior of dissolution needs to be solved numerically. However, analytical expressions for the temporal variation of the size of the undissoved portion of a particle and the variation of dissolution time can be obtained in some special cases. The present analysis takes the effect of variable bulk solute concentration on dissolution into account.

Keywords: dissolution of particles, surface layer, shrinking core model, dissolution time.

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Authors: A. Borji, M. Hamidi

Abstract:

A new method for color image segmentation using fuzzy logic is proposed in this paper. Our aim here is to automatically produce a fuzzy system for color classification and image segmentation with least number of rules and minimum error rate. Particle swarm optimization is a sub class of evolutionary algorithms that has been inspired from social behavior of fishes, bees, birds, etc, that live together in colonies. We use comprehensive learning particle swarm optimization (CLPSO) technique to find optimal fuzzy rules and membership functions because it discourages premature convergence. Here each particle of the swarm codes a set of fuzzy rules. During evolution, a population member tries to maximize a fitness criterion which is here high classification rate and small number of rules. Finally, particle with the highest fitness value is selected as the best set of fuzzy rules for image segmentation. Our results, using this method for soccer field image segmentation in Robocop contests shows 89% performance. Less computational load is needed when using this method compared with other methods like ANFIS, because it generates a smaller number of fuzzy rules. Large train dataset and its variety, makes the proposed method invariant to illumination noise

Keywords: Comprehensive learning Particle Swarmoptimization, fuzzy classification.

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Authors: Chen-Chien Hsu, Guo-Tang Dai

Abstract:

This paper presents a particle swarm optimization (PSO) based approach for multiple object tracking based on histogram matching. To start with, gray-level histograms are calculated to establish a feature model for each of the target object. The difference between the gray-level histogram corresponding to each particle in the search space and the target object is used as the fitness value. Multiple swarms are created depending on the number of the target objects under tracking. Because of the efficiency and simplicity of the PSO algorithm for global optimization, target objects can be tracked as iterations continue. Experimental results confirm that the proposed PSO algorithm can rapidly converge, allowing real-time tracking of each target object. When the objects being tracked move outside the tracking range, global search capability of the PSO resumes to re-trace the target objects.

Keywords: multiple object tracking, particle swarm optimization, gray-level histogram, image

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Authors: Omar GACI, Stefan BALEV, Antoine DUTOT

Abstract:

In this paper we introduce the notion of protein interaction network. This is a graph whose vertices are the protein-s amino acids and whose edges are the interactions between them. Using a graph theory approach, we observe that according to their structural roles, the nodes interact differently. By leading a community structure detection, we confirm this specific behavior and describe thecommunities composition to finally propose a new approach to fold a protein interaction network.

Keywords: interaction network, protein structure, community structure detection.

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Authors: XueSong Yu, JiaFeng Liu, XiangLong Tang, JianHua Huang

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For improving the efficiency of human 3D tracking, we present an algorithm to track 3D Arm Motion. First, the Hierarchy Limb Model (HLM) is proposed based on the human 3D skeleton model. Second, via graph decomposition, the arm motion state space, modeled by HLM, can be discomposed into two low dimension subspaces: root nodes and leaf nodes. Finally, Rao-Blackwellised Particle Filter is used to estimate the 3D arm motion. The result of experiment shows that our algorithm can advance the computation efficiency.

Keywords: Hierarchy Limb Model; Rao-Blackwellised Particle Filter; 3D tracking

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Authors: Huynh Quyet Thang, Le Hai Quan

Abstract:

Interaction Model plays an important role in Modelbased Intelligent Interface Agent Architecture for developing Intelligent User Interface. In this paper we are presenting some improvements in the algorithms for development interaction model of interface agent including: the action segmentation algorithm, the action pair selection algorithm, the final action pair selection algorithm, the interaction graph construction algorithm and the probability calculation algorithm. The analysis of the algorithms also presented. At the end of this paper, we introduce an experimental program called “Personal Transfer System".

Keywords: interface agent, interaction model, user model.

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Authors: A. Maitarad, P. Maitarad

Abstract:

In order to find the particular interaction energy between cylcloguanil and the amino acids surrounding the pocket of wild type and quadruple mutant type PfDHFR enzymes, the MP2 method with basis set 6-31G(d,p) level of calculations was performed. The obtained interaction energies found that Asp54 has the strongest interaction energy to both wild type and mutant type of - 12.439 and -11.250 kcal/mol, respectively and three amino acids; Asp54, Ile164 and Ile14 formed the H-bonding with cycloguanil drug. Importantly, the mutation at Ser108Asn was the key important of cycloguanil resistant with showing repulsive interaction energy.

Keywords: Cycloguanil, DHFR, malaria disease, interactionenergy, quantum calculations

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