Search results for: Ab initio molecular dynamics simulations

Authors: C. E. Madubueze, S. C. Madubueze, S. Ajama

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Cholera is a disease that is predominately common in developing countries due to poor sanitation and overcrowding population. In this paper, a deterministic model for the dynamics of cholera is developed and control measures such as health educational message, therapeutic treatment, and vaccination are incorporated in the model. The effective reproduction number is computed in terms of the model parameters. The existence and stability of the equilibrium states, disease free and endemic equilibrium states are established and showed to be locally and globally asymptotically stable when R0 < 1 and R0 > 1 respectively. The existence of backward bifurcation of the model is investigated. Furthermore, numerical simulation of the model developed is carried out to show the impact of the control measures and the result indicates that combined control measures will help to reduce the spread of cholera in the population.

Keywords: Backward bifurcation, cholera, equilibrium, dynamics, stability.

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Authors: José Carlos Rodríguez, Mario Gómez, Medardo Serna

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This paper analyses managing higher education institutions in emerging economies. The paper investigates the case of postgraduate studies development at public universities. In so doing, it adopts the complex theory approach to evaluate how postgraduate studies have evolved in these countries. The investigation suggests that the postgraduate studies sector at public universities can be seen as a complex adaptive system (CAS). Therefore, the paper adopts system dynamics (SD) methods to develop this analysis. The case of postgraduate studies at Universidad Michoacana de San Nicolás de Hidalgo in Mexico is investigated in this paper.

Keywords: Higher education institutions, complex adaptive systems, system dynamics, Mexico.

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Authors: Aymen Laadhari, Gábor Székely

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In this work, the hemodynamics in the sinuses of Valsalva after Transcatheter Aortic Valve Implantation is numerically examined. We focus on the physical results in the two-dimensional case. We use a finite element methodology based on a Lagrange multiplier technique that enables to couple the dynamics of blood flow and the leaflets’ movement. A massively parallel implementation of a monolithic and fully implicit solver allows more accuracy and significant computational savings. The elastic properties of the aortic valve are disregarded, and the numerical computations are performed under physiologically correct pressure loads. Computational results depict that blood flow may be subject to stagnation in the lower domain of the sinuses of Valsalva after Transcatheter Aortic Valve Implantation.

Keywords: Hemodynamics, Transcatheter Aortic Valve Implantation, blood flow stagnation, numerical simulations.

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Authors: José Alberto García Fernández, Zhimin Du, Xinqiao Jin

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Nowadays, data center industry faces strong challenges for increasing the speed and data processing capacities while at the same time is trying to keep their devices a suitable working temperature without penalizing that capacity. Consequently, the cooling systems of this kind of facilities use a large amount of energy to dissipate the heat generated inside the servers, and developing new cooling techniques or perfecting those already existing would be a great advance in this type of industry. The installation of a temperature sensor matrix distributed in the structure of each server would provide the necessary information for collecting the required data for obtaining a temperature profile instantly inside them. However, the number of temperature probes required to obtain the temperature profiles with sufficient accuracy is very high and expensive. Therefore, other less intrusive techniques are employed where each point that characterizes the server temperature profile is obtained by solving differential equations through simulation methods, simplifying data collection techniques but increasing the time to obtain results. In order to reduce these calculation times, complicated and slow computational fluid dynamics simulations are replaced by simpler and faster finite element method simulations which solve the Burgers‘ equations by backward, forward and central discretization techniques after simplifying the energy and enthalpy conservation differential equations. The discretization methods employed for solving the first and second order derivatives of the obtained Burgers‘ equation after these simplifications are the key for obtaining results with greater or lesser accuracy regardless of the characteristic truncation error.

Keywords: Burgers’ equations, CFD simulation, data center, discretization methods, FEM simulation, temperature profile.

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Authors: Mircea Ivanescu, Nirvana Popescu, Decebal Popescu, Dorin Popescu

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This paper addresses the control problem of a class of hyper-redundant arms. In order to avoid discrepancy between the mathematical model and the actual dynamics, the dynamic model with uncertain parameters of this class of manipulators is inferred. A procedure to design a feedback controller which stabilizes the uncertain system has been proposed. A PD boundary control algorithm is used in order to control the desired position of the manipulator. This controller is easy to implement from the point of view of measuring techniques and actuation. Numerical simulations verify the effectiveness of the presented methods. In order to verify the suitability of the control algorithm, a platform with a 3D flexible manipulator has been employed for testing. Experimental tests on this platform illustrate the applications of the techniques developed in the paper.

Keywords: Distributed model, flexible manipulator, observer, robot control.

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Authors: Thomas M. Prinz Wilhelm R. Rossak, Kai Gebhardt

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A straightforward and intuitive combination of single simulations into an aggregated master-simulation is not trivial. There are lots of problems, which trigger-specific difficulties during the modeling and execution of such a simulation. In this paper we identify these problems and aim to solve them by mapping the task to the field of multi agent systems. The solution is a new meta-model named AGENTMAP, which is able to mitigate most of the problems and to support intuitive modeling at the same time. This meta-model will be introduced and explained on basis of an example from the e-commerce domain.

Keywords: Multi Agent System, Agent-based Simulation, Distributed Systems, Meta-models.

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Authors: Toyoyuki Honjo, Takeshi Hayashi, Akinori Nagano, Zhi-Wei Luo

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For stable bipedal gait generation on the level floor, efficient restoring of mechanical energy lost by heel collision at the ground is necessary. Parametric excitation principle is one of the solutions. We dealt with the robot-s total center of mass as an inverted pendulum to consider the total dynamics of the robot. Parametrically excited walking requires the use of continuous target trajectory that is close to discontinuous optimal trajectory. In this paper, we proposed the new target trajectory based on a position in the walking direction. We surveyed relations between walking performance and the parameters that form the target trajectory via numerical simulations. As a result, it was found that our target trajectory has the similar characteristics of a parametrically excited inverted pendulum.

Keywords: Dynamic Bipedal Walking, Parametric Excitation, Target Trajectory Design.

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Authors: A. Kospach, A. Mladek, M. Waltenberger, F. Schilling

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In this work, a coupled 1D/3D simulation approach for thermal protection and optimization of a trailer refrigeration power pack unit was developed. With the developed 1D/3D simulation approach thermal critical scenarios, such as summer, high-load scenarios are investigated. The 1D thermal model was built up consisting of the thermal network, which includes different point masses and associated heat transfers, the coolant and oil circuits, as well as the fan unit. The 3D computational fluid dynamics (CFD) model was developed to model the air flow through the power pack unit considering convective heat transfer effects. In the 1D thermal model the temperatures of the individual point masses were calculated, which served as input variables for the 3D CFD model. For the calculation of the point mass temperatures in the 1D thermal model, the convective heat transfer rates from the 3D CFD model were required as input variables. These two variables (point mass temperatures and convective heat transfer rates) were the main couple variables for the coupled 1D/3D simulation model. The coupled 1D/3D model was validated with measurements under normal operating conditions. Coupled simulations for summer high-load case were than performed and compared with a reference case under normal operation conditions. Hot temperature regions and components could be identified. Due to the detailed information about the flow field, temperatures and heat fluxes, it was possible to directly derive improvement suggestions for the cooling design of the transport refrigeration power pack unit.

Keywords: Coupled thermal simulation, thermal analysis, transport refrigeration unit, 3D computational fluid dynamics, 1D thermal modelling, thermal management systems.

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Authors: Odón R. Sánchez-Ccoyllo, Elizabeth Ayma-Choque, Alan Llacza

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Sulphur dioxide (SO₂) and surface-ozone (O₃) concentrations are associated with diseases. The objective of this research is to evaluate the effectiveness of the air-quality Weather Research and Forecasting model coupled to Chemistry (WRF-Chem) model with a horizontal resolution of 5 km x 5 km. For this purpose, the measurements of the hourly SO₂ and O₃ concentrations available in three air quality monitoring stations in Lima, Peru were used for the purpose of validating the simulations of the SO₂ and O₃ concentrations obtained with the WRF-Chem model in February 2018. For the quantitative evaluation of the simulations of these gases, statistical techniques were implemented, such as the average of the simulations; the average of the measurements; the Mean Bias (MeB); the Mean Error (MeE); and the Root Mean Square Error (RMSE). The results of these statistical metrics indicated that the simulated SO₂ and O₃ values over-predicted the SO₂ and O₃ measurements. For the SO₂ concentration, the MeB values varied from 0.58 to 26.35 µg/m³; the MeE values varied from 8.75 to 26.5 µg/m³; the RMSE values varied from 13.3 to 31.79 µg/m³; while for O₃ concentrations the statistical values of the MeB varied from 37.52 to 56.29 µg/m³; the MeE values varied from 37.54 to 56.70 µg/m³; the RMSE values varied from 43.05 to 69.56 µg/m³.

Keywords: Ground-ozone, Lima, Sulphur dioxide, WRF-Chem.

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Authors: Eleni Ioannou, Pascal Nucara, Keith Pullen

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The subject of this paper is the investigation of the best efficiency design of a compressor diffuser applied in new lightweight, ultra efficient micro-gas turbine engines for vehicles. The Computational Fluid Dynamics (CFD) results are obtained utilizing steady state simulations for a wedge and an ”oval” type pipe diffuser in an effort to identify the beneficial effects of the pipe diffuser design. The basic flow features are presented with particular focus on the optimization of the pipe diffuser leading to higher efficiencies for the compressor stage. The optimised pipe diffuser is designed to exploit the 3D freedom enabled by Selective Laser Melting, hence purposely involves an investigation of geometric characteristics that do not follow the traditional diffuser concept.

Keywords: CFD, centrifugal compressor, micro-gas turbine, pipe diffuser, SLM, wedge diffuser.

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Authors: Wenyu Song, Bingxi Li, Zhongbin Fu, Baocheng Jiang

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Full - Scale Accelerated Loading System, one part of “the Eleventh - Five - Year National Grand Technology Infrastructure Program" is a facility to evaluate the performance and service life of different kinds of pavements subjected to traffic loading under full - controlled environment. While simulating the environments of frigid zone and permafrost zone, the accurate control of air temperature, road temperature and roadbed temperature are the key points and also aporias for the designment. In this paper, numerical simulations are used to determine the design parameters of the frozen soil simulation system. At first, a brief introduction of the Full - Scale Accelerate Loading System was given. Then, the temperature control method of frozen soil simulation system was proposed. Finally, by using finite element simulations, the optimal design of frozen soil simulation system was obtained. This proposed design, which was obtained by finite element simulations, provided significant referents to the ultimate design of the environment simulation system.

Keywords: China, finite element simulation, frozen soilsimulation system, preliminary design.

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Authors: J. Davoodi , J. Moradi

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The aim of this research was to calculate the mechanical properties of Pd3Rh and PdRh3 ordered alloys. The molecular dynamics (MD) simulation technique was used to obtain temperature dependence of the energy, the Yong modulus, the shear modulus, the bulk modulus, Poisson-s ratio and the elastic stiffness constants at the isobaric-isothermal (NPT) ensemble in the range of 100-325 K. The interatomic potential energy and force on atoms were calculated by Quantum Sutton-Chen (Q-SC) many body potential. Our MD simulation results show the effect of temperature on the cohesive energy and mechanical properties of Pd3Rh as well as PdRh3 alloys. Our computed results show good agreement with the experimental results where they have been available.

Keywords: Pd-Rh alloy; Mechanical properties; Moleculardynamics simulation

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Authors: Dong Xie, Jun Zhao, Yiming Weng

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The objective of this study was to synthesize and characterize the poly(alkenoic acid)s with different molecular structures, use these polymers to formulate a dental cement restorative, and study the effect of molecular structures on reaction kinetics, viscosity, and mechanical strengths of the formed polymers and cement restoratives. In this study, poly(alkenoic acid)s with different molecular structures were synthesized. The purified polymers were formulated with commercial Fuji II LC glass fillers to form the experimental cement restoratives. The reaction kinetics was studied via 1HNMR spectroscopy. The formed restoratives were evaluated using compressive strength, diametral tensile strength, flexural strength, hardness and wear-resistance tests. Specimens were conditioned in distilled water at 37oC for 24 h prior to testing. Fuji II LC restorative was used as control. The results show that the higher the arm number and initiator concentration, the faster the reaction was. It was also found that the higher the arm number and branching that the polymer had, the lower the viscosity of the polymer in water and the lower the mechanical strengths of the formed restorative. The experimental restoratives were 31-53% in compressive strength, 37- 55% in compressive modulus, 80-126% in diametral tensile strength, 76-94% in flexural strength, 4-21% in fracture toughness and 53-96% in hardness higher than Fuji II LC. For wear test, the experimental restoratives were only 5.4-13% of abrasive and 6.4-12% of attritional wear depths of Fuji II LC in each wear cycle. The aging study also showed that all the experimental restoratives increased their strength continuously during 30 days, unlike Fuji II LC. It is concluded that polymer molecular structures have significant and positive impact on mechanical properties of dental cement restoratives.

Keywords: Poly(alkenoic acid)s, molecular structures, dental cement, mechanical strength.

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Authors: Quy Dang Nguyen, Reza Nakhaie Jazar

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The paper investigates vibration dynamics of tire-road separation for a quarter-car model; this separation model is developed to be close to the real situation considering the tire is able to separate from the ground plane. A set of piecewise linear mathematical models is developed and matches the in-contact and no-contact states to be considered as mother models for further investigations. The bound dynamics are numerically simulated in the time response and phase portraits. The separation analysis may determine which values of suspension parameters can delay and avoid the no-contact phenomenon, which results in improving ride comfort and eliminating the potentially dangerous oscillation. Finally, model verification is carried out in the MSC-ADAMS environment.

Keywords: Quarter-car vibrations, tire-road separation, separation analysis, separation dynamics, ride comfort, ADAMS validation.

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Authors: Sajith Sajeev, Brenton McLaury, Siamack Shirazi

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In the petroleum industry, solid particles are often present along with the produced fluids. It is imperative to keep particles from accumulating in flow lines. In this study, various experiments are conducted to study sand particle transport, where critical velocity is defined as the average fluid velocity to keep particles continuously moving. Many parameters related to the fluid, particles and pipe affect the transport process. Experimental results are presented varying the particle concentration. Additionally, CFD simulations using a discrete element modeling (DEM) approach are presented to compare with experimental result.

Keywords: Particle transport, critical velocity, CFD, DEM.

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Authors: Mustafa Bin Yusof, Mohammad Amirul Affiz Bin Afripin

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Safety of bus journey is a fundamental concern. Risk of injuries and fatalities is severe when bus superstructure fails during rollover accident. Adequate design and sufficient strength of bus superstructure can reduce the number of injuries and fatalities. This paper deals with structural analysis of bus superstructure undergoes rollover event. Several value of mass will be varied in multiple simulations. The purpose of this work is to analyze structural response of bus superstructure in terms of deformation, stress and strain under several loading and constraining conditions. A complete bus superstructure with forty four passenger-s capability was developed using finite element analysis software. Simulations have been conducted to observe the effect of total mass of bus on the strength of superstructure. These simulations are following United Nation Economic Commission of Europe regulation 66 which focuses on strength of large vehicle superstructure. Validation process had been done using simple box model experiment and results obtained are comparing with simulation results. Inputs data from validation process had been used in full scale simulation. Analyses suggested that, the failure of bus superstructure during rollover situation is basically dependent on the total mass of bus and on the strength of bus superstructure.

Keywords: Bus, rollover, superstructure strength, UNECE regulation 66.

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Authors: Inese Bula

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Symbolic dynamics studies dynamical systems on the basis of the symbol sequences obtained for a suitable partition of the state space. This approach exploits the property that system dynamics reduce to a shift operation in symbol space. This shift operator is a chaotic mapping. In this article we show that in the symbol space exist other chaotic mappings.

Keywords: Infinite symbol space, prefix metric, chaotic mapping, generator function, jump mapping.

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Authors: Petter Eklund, Jonathan Sjölund, Sandra Eriksson, Mats Leijon

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The spoke type rotor can be used to obtain magnetic flux concentration in permanent magnet machines. This allows the air gap magnetic flux density to exceed the remanent flux density of the permanent magnets but gives problems with leakage fluxes in the magnetic circuit. The end leakage flux of one spoke type permanent magnet rotor design is studied through measurements and finite element simulations. The measurements are performed in the end regions of a 12 kW prototype generator for a vertical axis wind turbine. The simulations are made using three dimensional finite elements to calculate the magnetic field distribution in the end regions of the machine. Also two dimensional finite element simulations are performed and the impact of the two dimensional approximation is studied. It is found that the magnetic leakage flux in the end regions of the machine is equal to about 20% of the flux in the permanent magnets. The overestimation of the performance by the two dimensional approximation is quantified and a curve-fitted expression for its behavior is suggested.

Keywords: End effects, end leakage flux, permanent magnet machine, spoke type rotor.

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Authors: Koo-Yeon Kim, Eun-Hye Kim, Tae-Il Son

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Epidermal Growth Factor (EGF, Mw=6,045) has been reported to have high efficiency of wound repair and anti-wrinkle effect. However, the half-life of EGF in the body is too short to exert the biological activity effectively when applied in free form. Growth Factors can be stabilized by immobilization with carbohydrates from thermal and proteolytic degradation. Low molecular weight chitosan (LMCS) and its derivate prepared by hydrogen peroxide has high solubility. LM6A6DC was successfully prepared as a reactive carbohydrate for the stabilization of EGF by the reactions of LMCS with alkalization, tosylation, azidation and reduction. The structure of LM6A6DC was confirmed by FT-IR, 1H NMR and elementary analysis. For enhancing the stability of free EGF, EGF was attached with LM6A6DC by using water-soluble carbodiimide. EGF-LM6A6DC conjugates did not show any cytotoxicity on the Normal Human Dermal Fibroblast (NHDF) 3T3 proliferation at least under 100 μg/ml. In the result, it was considered that LM6A6DC is suitable to immobilize of growth factor.

Keywords: Epidermal growth factor (EGF), low-molecular-weight chitosan, immobilization.

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Authors: Markus Reichhartinger, Martin Horn

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In this paper, the application of sliding-mode control to a permanent-magnet synchronous motor (PMSM) is presented. The control design is based on a generic mathematical model of the motor. Some dynamics of the motor and of the power amplification stage remain unmodelled. This model uncertainty is estimated in realtime. The estimation is based on the differentiation of measured signals using the ideas of robust exact differentiator (RED). The control law is implemented on an industrial servo drive. Simulations and experimental results are presented and compared to the same control strategy without uncertainty estimation. It turns out that the proposed concept is superior to the same control strategy without uncertainty estimation especially in the case of non-smooth reference signals.

Keywords: sliding-mode control, Permanent-magnet synchronous motor, uncertainty estimation, robust exact differentiator.

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Authors: Ching-Wei Tsai, Chih-I Liu, Ruoh-Chyu Ruaana

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A new strategy for oriented immobilization of proteins was proposed. The strategy contains two steps. The first step is to search for a docking site away from the active site on the protein surface. The second step is trying to find a ligand that is able to grasp the targeted site of the protein. To avoid ligand binding to the active site of protein, the targeted docking site is selected to own opposite charges to those near the active site. To enhance the ligand-protein binding, both hydrophobic and electrostatic interactions need to be included. The targeted docking site should therefore contain hydrophobic amino acids. The ligand is then selected through the help of molecular docking simulations. The enzyme α-amylase derived from Aspergillus oryzae (TAKA) was taken as an example for oriented immobilization. The active site of TAKA is surrounded by negatively charged amino acids. All the possible hydrophobic sites on the surface of TAKA were evaluated by the free energy estimation through benzene docking. A hydrophobic site on the opposite side of TAKA-s active site was found to be positive in net charges. A possible ligand, 3,3-,4,4- – Biphenyltetra- carboxylic acid (BPTA), was found to catch TAKA by the designated docking site. Then, the BPTA molecules were grafted onto silica gels and measured the affinity of TAKA adsorption and the specific activity of thereby immobilized enzymes. It was found that TAKA had a dissociation constant as low as 7.0×10-6 M toward the ligand BPTA on silica gel. The increase in ionic strength has little effect on the adsorption of TAKA, which indicated the existence of hydrophobic interaction between ligands and proteins. The specific activity of the immobilized TAKA was compared with the randomly adsorbed TAKA on primary amine containing silica gel. It was found that the orderly immobilized TAKA owns a specific activity twice as high as the one randomly adsorbed by ionic interaction.

Keywords: Protein Oriented immobilization, Molecular docking, ligand design, surface modification.

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Authors: Nadim Zgheib, Sivaramakrishnan Balachandar

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We present results on the initial formation of ripples from an initially flattened erodible bed. We use direct numerical simulations (DNS) of turbulent open channel flow over a fixed sinusoidal bed coupled with hydrodynamic stability analysis. We use the direct forcing immersed boundary method to account for the presence of the sediment bed. The resolved flow provides the bed shear stress and consequently the sediment transport rate, which is needed in the stability analysis of the Exner equation. The approach is different from traditional linear stability analysis in the sense that the phase lag between the bed topology, and the sediment flux is obtained from the DNS. We ran 11 simulations at a fixed shear Reynolds number of 180, but for different sediment bed wavelengths. The analysis allows us to sweep a large range of physical and modelling parameters to predict their effects on linear growth. The Froude number appears to be the critical controlling parameter in the early linear development of ripples, in contrast with the dominant role of particle Reynolds number during the equilibrium stage.

Keywords: Direct numerical simulation, immersed boundary method, sediment-bed interactions, turbulent multiphase flow, linear stability analysis.

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Authors: Yao Jie, Yeo Khoon Seng

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In recent decades, flapping wing aerodynamics has attracted great interest. Understanding the physics of biological flyers such as birds and insects can help improve the performance of micro air vehicles. The present research focuses on the aerodynamics of insect-like flapping wing flight with the approach of numerical computation. Insect model of hawkmoth is adopted in the numerical study with rigid wing assumption currently. The numerical model integrates the computational fluid dynamics of the flow and active control of wing kinematics to achieve stable flight. The computation grid is a hybrid consisting of background Cartesian nodes and clouds of mesh-free grids around immersed boundaries. The generalized finite difference method is used in conjunction with single value decomposition (SVD-GFD) in computational fluid dynamics solver to study the dynamics of a free hovering hummingbird hawkmoth. The longitudinal dynamics of the hovering flight is governed by three control parameters, i.e., wing plane angle, mean positional angle and wing beating frequency. In present work, a PID controller works out the appropriate control parameters with the insect motion as input. The controller is adjusted to acquire desired maneuvering of the insect flight. The numerical scheme in present study is proven to be accurate and stable to simulate the flight of the hummingbird hawkmoth, which has relatively high Reynolds number. The PID controller is responsive to provide feedback to the wing kinematics during the hovering flight. The simulated hovering flight agrees well with the real insect flight. The present numerical study offers a promising route to investigate the free flight aerodynamics of insects, which could overcome some of the limitations of experiments.

Keywords: Aerodynamics, flight control, computational fluid dynamics, flapping-wing flight.

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Authors: Mrinalini Amritkar, Disha Patil, Swapna Kulkarni, Sukratu Barve, Suresh Gosavi

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Micro-mixers play an important role in the lab-on-a-chip applications and micro total analysis systems to acquire the correct level of mixing for any given process. The mixing process can be classified as active or passive according to the use of external energy. Literature of microfluidics reports that most of the work is done on the models of steady laminar flow; however, the study of unsteady laminar flow is an active area of research at present. There are wide applications of this, out of which, we consider nanoparticle synthesis in micro-mixers. In this work, we have developed a model for unsteady flow to study the mixing performance of a passive micro mixer for reactants used for such synthesis. The model is developed in Finite Volume Method (FVM)-based software, OpenFOAM. The model is tested by carrying out the simulations at Re of 0.5. Mixing performance of the micro-mixer is investigated using simulated concentration values of mixed species across the width of the micro-mixer and calculating the variance across a line profile. Experimental validation is done by passing dyes through a Y shape micro-mixer fabricated using polydimethylsiloxane (PDMS) polymer and comparing variances with the simulated ones. Gold nanoparticles are later synthesized through the micro-mixer and collected at two different times leading to significantly different size distributions. These times match with the time scales over which reactant concentrations vary as obtained from simulations. Our simulations could thus be used to create design aids for passive micro-mixers used in nanoparticle synthesis.

Keywords: Lab-on-chip, micro-mixer, OpenFOAM, PDMS.

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Authors: Mahdi Asghari

Abstract:

The cavitation phenomenon is the formation and production of micro-bubbles and eventually the bursting of the micro-bubbles inside the liquid fluid, which results in localized high pressure and temperature, causing physical and chemical fluid changes. This pressure and temperature are predicted to be 2000 atmospheres and 5000 °C, respectively. As a result of small bubbles bursting from this process, temperature and pressure increase momentarily and locally, so that the intensity and magnitude of these temperatures and pressures provide the energy needed to break the molecular bonds of heavy compounds such as fuel oil. In this paper, we study the theory of cavitation and the methods of cavitation production by acoustic and hydrodynamic methods and the necessary mechanical equipment and reactors for industrial application of the hydrodynamic cavitation method to break down the molecular bonds of the fuel oil and convert it into useful and economical products.

Keywords: Cavitation, hydrodynamic cavitation, cavitation reactor, fuel oil.

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Authors: M. Shahina, K. Fakruddin, C. M. Subhan, S. Rangappa

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In this work, two mixtures with equal concentrations of 1) 4ꞌ-(6-(4-(pentylamino) methyl)-3-hydroxyphenoxy) hexyloxy) biphenyl-4-carbonitrile+-4-((4-(hexyloxy) benzylidene) amino) phenyl 4-butoxy benzoate and 2) 4ꞌ - (6-(4-(hexylamino) methyl)-3-hydroxyphenoxy) hexyloxy) biphenyl-4-carbonitrile+-4-((4-(octyloxy) benzylidene) amino) phenyl 4-butoxy benzoate, have been prepared. The transition temperature and optical texture are observed by using thermal microscopy. Density and birefringence studies are carried out on the above liquid crystalline mixtures. Using density and refractive indices data, the molecular polarizabilities are evaluated by using well-known Vuks and Neugebauer models. The molecular polarizability is also evaluated theoretically by Lippincott δ function model. The results reveal that the polarizability values are same in both experimental and theoretical methods.

Keywords: Liquid crystals, optical textures, transition temperature, birefringence, polarizability.

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Authors: Theodore N.S. Karfakis, Anna Andrade

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The aim of this study was to examine the dynamics of functional composition of a non flooded Amazonian forest in response to drought stress in terms of diameter growth, recruitment and mortality. The survey was carried out in the continuous forest of the Biological dynamics of forest fragments project 90 km outside the city of Manaus, state of Amazonas Brazil. All stems >10 cm dbh where identified to species level and monitored in 18 one hectare permanent sample plots from 1981 to 2004.For statistical analysis all species where aggregated in three ecological guilds. Two distinct drought events occurred in 1983 and 1997. Results showed that more early successional species performed better than later successional ones. Response was significant for both events but for the 1997 event this was more pronounced possibly because of the fact that the event was in the middle of the dry rather than the wet period as was the 1983 one.

Keywords: Brazil, functional composition, drought, Amazonian non flooded forest.

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Authors: Y. Yudin, T. Krasikova, Y. Dorozhko, N. Currle-Linde

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Nowadays, HPC, Grid and Cloud systems are evolving very rapidly. However, the development of infrastructure solutions related to HPC is lagging behind. While the existing infrastructure is sufficient for simple cases, many computational problems have more complex requirements.Such computational experiments use different resources simultaneously to start a large number of computational jobs.These resources are heterogeneous. They have different purposes, architectures, performance and used software.Users need a convenient tool that allows to describe and to run complex computational experiments under conditions of HPC environment. This paper introduces a modularworkflow system called SEGL which makes it possible to run complex computational experiments under conditions of a real HPC organization. The system can be used in a great number of organizations, which provide HPC power. Significant requirements to this system are high efficiency and interoperability with the existing HPC infrastructure of the organization without any changes.

Keywords: HPC, Molecular Dynamics, Workflow Languages, Workflow Management.

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Authors: Farhad Asadi, Gholamhasan Payganeh

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High-speed turbomachine can experience significant centrifugal and gas bending loads. As a result, the compressor blades must be able to resist high-frequency oscillations due to surge or stall condition in flow field dynamics. In this paper, vibration characteristics of the 6th stage blade compressor have been examined in detail with, using 3-D finite element (FE) methods. The primary aim of this article is to gain an understanding of nonlinear vibration induced in the blade against different loading conditions. The results indicate the nonlinear behavior of the blade as a result of the amplitude of resonances or material properties. Since one of the leading causes of turbine blade failure is high cycle fatigue, simulations were started by specifying the stress distribution in the blade due to the centrifugal rotation. Next, resonant frequencies and critical speeds of the blade were defined by modal analysis. Finally, the harmonic analysis was simulated on the blades.

Keywords: Nonlinear vibration, modal analysis, resonance, frequency response, compressor blade.

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Authors: Pierre Kancir, Jean-Philippe Diguet, Marc Sevaux

Abstract:

One of the main difficulties in developing multi-robot systems (MRS) is related to the simulation and testing tools available. Indeed, if the differences between simulations and real robots are too significant, the transition from the simulation to the robot won’t be possible without another long development phase and won’t permit to validate the simulation. Moreover, the testing of different algorithmic solutions or modifications of robots requires a strong knowledge of current tools and a significant development time. Therefore, the availability of tools for MRS, mainly with flying drones, is crucial to enable the industrial emergence of these systems. This research aims to present the most commonly used tools for MRS simulations and their main shortcomings and presents complementary tools to improve the productivity of designers in the development of multi-vehicle solutions focused on a fast learning curve and rapid transition from simulations to real usage. The proposed contributions are based on existing open source tools as Gazebo simulator combined with ROS (Robot Operating System) and the open-source multi-platform autopilot ArduPilot to bring them to a broad audience.

Keywords: ROS, ArduPilot, MRS, simulation, drones, Gazebo.

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