Search results for: Ab initio molecular dynamics simulations

Authors: Amanda M. Tadini, Houssam Hajjoul, Gustavo Nicolodelli, Stéphane Mounier, Célia R. Montes, Débora M. B. P. Milori

Abstract:

Soil organic matter (SOM) plays an important role in maintaining soil productivity and accounting for the promotion of biological diversity. The main components of the SOM are the humic substances which can be fractionated according to its solubility in humic acid (HA), fulvic acids (FA) and humin (HU). The determination of the chemical properties of organic matter as well as its interaction with metallic species is an important tool for understanding the structure of the humic fractions. Fluorescence spectroscopy has been studied as a source of information about what is happening at the molecular level in these compounds. Specially, soils of Amazon region are an important ecosystem of the planet. The aim of this study is to understand the molecular and structural composition of HA samples from Spodosol of Amazonia using the fluorescence Emission-Excitation Matrix (EEM) and Time Resolved Fluorescence Spectroscopy (TRFS). The results showed that the samples of HA showed two fluorescent components; one has a more complex structure and the other one has a simpler structure, which was also seen in TRFS through the evaluation of each sample lifetime. Thus, studies of this nature become important because it aims to evaluate the molecular and structural characteristics of the humic fractions in the region that is considered as one of the most important regions in the world, the Amazon.

Keywords: Amazonian soil, characterization, fluorescence, humic acid, lifetime.

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Authors: Sharon S. Wu, Yong S. Park

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This project aims to study and evaluate the motorcycle crash bar, which is used to reduce injuries caused by side impacts to the motorcycle, and then develop an improved design using the engineering design process theory based on the current benchmark crash bar in order to lower the severity of motorcycle crash injuries. For this purpose, simulations for the crash bar are set up so that it travels at an angle towards a fixed concrete wall and collides at certain velocities. 3D CAD models are first designed in SolidWorks and dynamic crash simulations are then carried out using ANSYS to determine the lowest maximum Von-Mises stress over time and deformations by adjusting the parameters used in manufacturing the crash bar, including the velocity of the crash, material used, geometries with various radius fillets, and different thicknesses for the bar. The results of the simulation are used to determine the optimum parameters for a safer crash bar to withstand higher stress and deformation. Specifically, the von-Mises stress was reduced by at least 75% compared with the benchmark design by choosing aluminum alloy and a true unibar design.

Keywords: Crash bar, crash simulation, engineering design, motorcycle safety.

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Authors: David Jones, Richard McWilliam, Alan Purvis

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Morphogenesis is the process that underpins the selforganised development and regeneration of biological systems. The ability to mimick morphogenesis in artificial systems has great potential for many engineering applications, including production of biological tissue, design of robust electronic systems and the co-ordination of parallel computing. Previous attempts to mimick these complex dynamics within artificial systems have relied upon the use of evolutionary algorithms that have limited their size and complexity. This paper will present some insight into the underlying dynamics of morphogenesis, then show how to, without the assistance of evolutionary algorithms, design cellular architectures that converge to complex patterns.

Keywords: Morphogenesis, regeneration, robustness, convergence, cellular automata.

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Authors: H.Mohammadi Majd, M.Jalali Azizpour , Foad Saadi

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In this paper back-propagation artificial neural network (BPANN) is employed to predict the deformation of the upsetting process. To prepare a training set for BPANN, some finite element simulations were carried out. The input data for the artificial neural network are a set of parameters generated randomly (aspect ratio d/h, material properties, temperature and coefficient of friction). The output data are the coefficient of polynomial that fitted on barreling curves. Neural network was trained using barreling curves generated by finite element simulations of the upsetting and the corresponding material parameters. This technique was tested for three different specimens and can be successfully employed to predict the deformation of the upsetting process

Keywords: Back-propagation artificial neural network(BPANN), prediction, upsetting

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Authors: Sheng-Tse Wu, Wu-Sung Yao

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In this paper, a drift assist control system is proposed for remote control (RC) cars to get the perfect drift angle. A steering servo control scheme is given powerfully to assist the drift driving. A gyroscope sensor is included to detect the machine's tail sliding and to achieve a better automatic counter-steering to prevent RC car from spinning. To analysis tire traction and vehicle dynamics is used to obtain the dynamic track of RC cars. It comes with a control gain to adjust counter-steering amount according to the sensor condition. An illustrated example of 1:10 RC drift car is given and the real-time control algorithm is realized by Arduino Uno.

Keywords: Drift assist control system, remote control cars, gyroscope, vehicle dynamics.

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Authors: H.Mohammadi Majd, M.Jalali Azizpour

Abstract:

In this paper back-propagation artificial neural network (BPANN )with Levenberg–Marquardt algorithm is employed to predict the deformation of the upsetting process. To prepare a training set for BPANN, some finite element simulations were carried out. The input data for the artificial neural network are a set of parameters generated randomly (aspect ratio d/h, material properties, temperature and coefficient of friction). The output data are the coefficient of polynomial that fitted on barreling curves. Neural network was trained using barreling curves generated by finite element simulations of the upsetting and the corresponding material parameters. This technique was tested for three different specimens and can be successfully employed to predict the deformation of the upsetting process

Keywords: Back-propagation artificial neural network(BPANN), prediction, upsetting

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Authors: Y. Saylan, F. Yılmaz, A. Denizli

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In this study, we have focused our attention on combining of molecular imprinting into nanofilms and QCM nanosensor approaches and producing QCM nanosensor for anti- CCP, chosen as model protein, using anti-CCP imprinted nanofilms. The nonimprinted nanosensor was also prepared to evaluate the selectivity of the imprinted nanosensor. Anti-CCP imprinted QCM nanosensor was tested for real time detection of anti-CCP from aqueous solution. The kinetic and affinity studies were determined by using anti-CCP solutions with different concentrations. The responses related with mass shifts (%m) and frequency shifts (%f) were used to evaluate adsorption properties. To show the selectivity of the anti-CCP imprinted QCM nanosensor, competitive adsorption of anti-CCP and IgM was investigated. The results indicate that anti- CCP imprinted QCM nanosensor has higher adsorption capabilities for anti-CCP than for IgM, due to selective cavities in the polymer structure.

Keywords: Anti-CCP, molecular imprinting, QCM nanosensor, rheumatoid arthritis.

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Authors: Jürgen Roßmann, Gerrit Alves

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In today-s world, the efficient utilization of wood resources comes more and more to the mind of forest owners. It is a very complex challenge to ensure an efficient harvest of the wood resources. This is one of the scopes the project “Virtual Forest II" addresses. Its core is a database with data about forests containing approximately 260 million trees located in North Rhine-Westphalia (NRW). Based on this data, tree growth simulations and wood mobilization simulations can be conducted. This paper focuses on the latter. It describes a discrete-event-simulation with an attached 3-D real time visualization which simulates timber harvest using trees from the database with different crop resources. This simulation can be displayed in 3-D to show the progress of the wood crop. All the data gathered during the simulation is presented as a detailed summary afterwards. This summary includes cost-benefit calculations and can be compared to those of previous runs to optimize the financial outcome of the timber harvest by exchanging crop resources or modifying their parameters.

Keywords: Timber harvest, simulation, 3-D, optimization.

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Authors: Beata Jackowska-Zduniak

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We formulate and analyze a mathematical model describing dynamics of the hypothalamus-pituitary-thyroid homoeostatic mechanism in endocrine system. We introduce to this system two types of couplings and delay. In our model, feedback controls the secretion of thyroid hormones and delay reflects time lags required for transportation of the hormones. The influence of delayed feedback on the stability behaviour of the system is discussed. Analytical results are illustrated by numerical examples of the model dynamics. This system of equations describes normal activity of the thyroid and also a couple of types of malfunctions (e.g. hyperthyroidism).

Keywords: Mathematical modeling, ordinary differential equations, endocrine system, stability analysis.

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Authors: J. Mirzaei, H. Kazemi Kargar

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This paper presents a new approach for setting frequency relays based on the dynamic of power system. A simplified model of the power system based on the load-frequency control loop will be developed to be used instead of the complete model of the power system. The effects of the equipments and their responses on the frequency variations of the power plant will be investigated and then a method for adaptive settings of frequency relays will be explained. The proposed method will be investigated by analyzing a simplified model of a power plant by MATLAB software.

Keywords: Adaptive Settings, Frequency Relay (FR), PowerSystem Dynamics, SFR model.

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Authors: Seung Pil Pack

Abstract:

Deaminated lesions were produced via nitrosative oxidation of natural nucleobases; uracul (Ura, U) from cytosine (Cyt, C), hypoxanthine (Hyp, H) from adenine (Ade, A), and xanthine (Xan, X) and oxanine (Oxa, O) from guanine (Gua, G). Such damaged nucleobases may induce mutagenic problems, so that much attentions and efforts have been poured on the revealing of their mechanisms in vivo or in vitro. In this study, we employed these deaminated lesions as useful probes for analysis of DNA-binding/recognizing proteins or enzymes. Since the pyrimidine lesions such as Hyp, Oxa and Xan are employed as analogues of guanine, their comparative uses are informative for analyzing the role of Gua in DNA sequence in DNA-protein interaction. Several DNA oligomers containing such Hyp, Oxa or Xan substituted for Gua were designed to reveal the molecular interaction between DNA and protein. From this approach, we have got useful information to understand the molecular mechanisms of the DNA-recognizing enzymes, which have not ever been observed using conventional DNA oligomer composed of just natural nucleobases.

Keywords: Deaminated lesion, DNA-protein interaction, DNA-recognizing enzymes

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Authors: Cha’o-Kuang Chen, Ching-Chang Cho

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This paper investigates the natural convection heat transfer performance in a complex-wavy-wall cavity filled with power-law fluid. In performing the simulations, the continuity, Cauchy momentum and energy equations are solved subject to the Boussinesq approximation using a finite volume method. The simulations focus specifically on the effects of the flow behavior index in the power-law model and the Rayleigh number on the flow streamlines, isothermal contours and mean Nusselt number within the cavity. The results show that pseudoplastic fluids have a better heat transfer performance than Newtonian or dilatant fluids. Moreover, it is shown that for Rayleigh numbers greater than Ra=10³, the mean Nusselt number has a significantly increase as the flow behavior index is decreased.

Keywords: Non-Newtonian fluid, Power-law fluid, Natural convection, Heat transfer enhancement, Cavity, Wavy wall.

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Authors: J. M. B. Mendonça, M. V. S. Siqueira, A. Soares, M. A. F. Santos

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The purpose of this article is to understand the dynamics of the increase in incivility through social relations (gender, race, class, sexual orientation, etc.), which hide inequalities in the form of treatment and opportunities within the organizational sphere. For this, we will examine works that address incivility at work, as well as studies that deviate from the mainstream, bringing more obscure organizational facets to light in connection with a critical approach to this issue. Next, some results of a bibliometric study shall be exposed, to analyze contributions connected to the theme and demonstrate gaps for future research. Then, models that facilitate reflection on the dynamics of violence shall be discussed. Finally, a broader concept of incivility in interpersonal relationships in the workplace shall be exposed considering the multiple approaches discussed.

Keywords: Incivility, inequalities, organization reflections, preventing violence.

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Authors: Asadullah I. Qazi, Mansoor Ahsan, Zahir Ashraf, Uzair Ahmad

Abstract:

System identification of an Unmanned Aerial Vehicle (UAV), to acquire its mathematical model, is a significant step in the process of aircraft flight automation. The need for reliable mathematical model is an established requirement for autopilot design, flight simulator development, aircraft performance appraisal, analysis of aircraft modifications, preflight testing of prototype aircraft and investigation of fatigue life and stress distribution etc.  This research is aimed at system identification of a fixed wing UAV by means of specifically designed flight experiment. The purposely designed flight maneuvers were performed on the UAV and aircraft states were recorded during these flights. Acquired data were preprocessed for noise filtering and bias removal followed by parameter estimation of longitudinal dynamics transfer functions using MATLAB system identification toolbox. Black box identification based transfer function models, in response to elevator and throttle inputs, were estimated using least square error   technique. The identification results show a high confidence level and goodness of fit between the estimated model and actual aircraft response.

Keywords: Black box modeling, fixed wing aircraft, least square error, longitudinal dynamics, system identification.

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Authors: Elias Akoury

Abstract:

Nuclear Magnetic Resonance (NMR) spectroscopy is an indispensable technique used in structure determination of small and macromolecules to study their physical properties, elucidation of characteristic interactions, dynamics and thermodynamic processes. Quantum mechanics defines the theoretical description of NMR spectroscopy and treatment of the dynamics of nuclear spin systems. The phenomenon of residual dipolar coupling (RDCs) has become a routine tool for accurate structure determination by providing global orientation information of magnetic dipole-dipole interaction vectors within a common reference frame. This offers accessibility of distance-independent angular information and insights to local relaxation. The measurement of RDCs requires an anisotropic orientation medium for the molecules to partially align along the magnetic field. This can be achieved by introduction of liquid crystals or attaching a paramagnetic center. Although anisotropic paramagnetic tags continue to mark achievements in the biomolecular NMR of large proteins, its application in small organic molecules remains unspread. Here, we propose a strategy for the synthesis of a lanthanide tag and the measurement of RDCs in organic molecules using paramagnetic lanthanide complexes.

Keywords: Lanthanide Tags, NMR spectroscopy, residual dipolar coupling, quantum mechanics of spin dynamics.

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Authors: Giovanni Incerti

Abstract:

In this paper the vibration of a synchronous belt drive during start-up is analyzed and discussed. Besides considering the belt elasticity, the model here proposed also takes into consideration the electromagnetic response of the DC motor. The solution of the motion equations is obtained by means of the modal analysis in state space, which allows to obtain the decoupling of all equations, without introducing the hypothesis of proportional damping. The mathematical model of the transmission and the solution algorithms have been implemented within a computing software that allows the user to simulate the dynamics of the system and to evaluate the effects due to the elasticity of the belt branches and to the electromagnetic behavior of the DC motor. In order to show the details of the calculation procedure, the paper presents a case study developed with the aid of the above-mentioned software.

Keywords: Belt drive, Vibrations, Startup, DC motor.

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Authors: Siddharth Ahuja, T. M. Muruganandam

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An analytical investigation is performed to study the unsteady response of a one-dimensional, non-linear dynamic shock system to external downstream pressure perturbations in a supersonic flow in a varying area duct. For a given pressure ratio across a wind tunnel, the normal shock's location can be computed as per one-dimensional steady gas dynamics. Similarly, for some other pressure ratio, the location of the normal shock will change accordingly, again computed using one-dimensional gas dynamics. This investigation focuses on the small-time interval between the first steady shock location and the new steady shock location (corresponding to different pressure ratios). In essence, this study aims to shed light on the motion of the shock from one steady location to another steady location. Further, this study aims to create the foundation of the Unsteady Gas Dynamics field enabling further insight in future research work. According to the new pressure ratio, a pressure pulse, generated at the exit of the tunnel which travels and perturbs the shock from its original position, setting it into motion. During such activity, other numerous physical phenomena also happen at the same time. However, three broad phenomena have been focused on, in this study - Traversal of a Wave, Fluid Element Interactions and Wave Interactions. The above mentioned three phenomena create, alter and kill numerous waves for different conditions. The waves which are created by the above-mentioned phenomena eventually interact with the shock and set it into motion. Numerous such interactions with the shock will slowly make it settle into its final position owing to the new pressure ratio across the duct, as estimated by one-dimensional gas dynamics. This analysis will be extremely helpful in the prediction of inlet 'unstart' of the flow in a supersonic engine intake and its prominence with the incoming flow Mach number, incoming flow pressure and the external perturbation pressure is also studied to help design more efficient supersonic intakes for engines like ramjets and scramjets.

Keywords: Analytical investigation, compression and expansion waves, fluid element interactions, shock trajectory, supersonic flow, unsteady gas dynamics, varying area duct, wave interactions.

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Authors: Ali Hamadi Dicko, Nicolas Tong-Yette, Benjamin Gilles, François Faure, Olivier Palombi

Abstract:

A novel hybrid model of the lumbar spine, allowing fast static and dynamic simulations of the disc pressure and the spine mobility, is introduced in this work. Our contribution is to combine rigid bodies, deformable finite elements, articular constraints, and springs into a unique model of the spine. Each vertebra is represented by a rigid body controlling a surface mesh to model contacts on the facet joints and the spinous process. The discs are modeled using a heterogeneous tetrahedral finite element model. The facet joints are represented as elastic joints with six degrees of freedom, while the ligaments are modeled using non-linear one-dimensional elastic elements. The challenge we tackle is to make these different models efficiently interact while respecting the principles of Anatomy and Mechanics. The mobility, the intradiscal pressure, the facet joint force and the instantaneous center of rotation of the lumbar spine are validated against the experimental and theoretical results of the literature on flexion, extension, lateral bending as well as axial rotation. Our hybrid model greatly simplifies the modeling task and dramatically accelerates the simulation of pressure within the discs, as well as the evaluation of the range of motion and the instantaneous centers of rotation, without penalizing precision. These results suggest that for some types of biomechanical simulations, simplified models allow far easier modeling and faster simulations compared to usual full-FEM approaches without any loss of accuracy.

Keywords: Hybrid, modeling, fast simulation, lumbar spine.

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Authors: Atitaya Singchai, Nooduan Muangsan, Thitiporn Machikowa

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Sunflower oil with high oleic acid content is most desirable because of its high oxidative stability. Screening sunflower of high oleic acid using conventional method is laborious and time consuming. Therefore, the use of molecular markers as a screening tool is promising. The objective of this research was to evaluate SSR primers for high oleic acid content in sunflower. Two sunflower lines, 5A and PI 649855 were used as the representative of low and high oleic acid sunflowers, respectively, and thirty seven SSR markers were used to identify oleic acid content trait. The results revealing 10 SSR primers showed polymorphic between high and low oleic acid lines and thus were informative. With these primers, therefore, it is possible to identify the genetic markers associated with high oleic acid trait in sunflower genotypes. 

Keywords: Microsatellite, Helianthus annuus L., fatty acid composition, molecular markers.

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Authors: M. Zake, I. Barmina, A. Kolmickovs, R. Valdmanis

Abstract:

Experimental investigations of the DC electric field effect on thermal decomposition of biomass, formation of the axial flow of volatiles (CO, H2, CxHy), mixing of volatiles with swirling airflow at low swirl intensity (S ≈ 0.2-0.35), their ignition and on formation of combustion dynamics are carried out with the aim to understand the mechanism of electric field influence on biomass gasification, combustion of volatiles and heat energy production. The DC electric field effect on combustion dynamics was studied by varying the positive bias voltage of the central electrode from 0.6 kV to 3 kV, whereas the ion current was limited to 2 mA. The results of experimental investigations confirm the field-enhanced biomass gasification with enhanced release of volatiles and the development of endothermic processes at the primary stage of thermochemical conversion of biomass determining the field-enhanced heat energy consumption with the correlating decrease of the flame temperature and heat energy production at this stage of flame formation. Further, the field-enhanced radial expansion of the flame reaction zone correlates with a more complete combustion of volatiles increasing the combustion efficiency by 3% and decreasing the mass fraction of CO, H2 and CxHy in the products, whereas by 10% increases the average volume fraction of CO2 and the heat energy production downstream the combustor increases by 5-10% 

Keywords: Biomass, combustion, electrodynamic control, gasification.

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Authors: Ö. Tolga Altınöz

Abstract:

The adaptive backstepping controller for inverted pendulum is designed by using the general motion control model. Backstepping is a novel nonlinear control technique based on the Lyapunov design approach, used when higher derivatives of parameter estimation appear. For easy parameter adaptation, the mathematical model of the inverted pendulum converted into the motion control model. This conversion is performed by taking functions of unknown parameters and dynamics of the system. By using motion control model equations, inverted pendulum is simulated without any information about not only parameters but also measurable dynamics. Also these results are compare with the adaptive backstepping controller which extended with integral action that given from [1].

Keywords: Adaptive backstepping, inverted pendulum, nonlinear adaptive control.

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Authors: A. Omran, G. El-Bayiumi, M. Bayoumi, A. Kassem

Abstract:

Applicability of tuning the controller gains for Stewart manipulator using genetic algorithm as an efficient search technique is investigated. Kinematics and dynamics models were introduced in detail for simulation purpose. A PD task space control scheme was used. For demonstrating technique feasibility, a Stewart manipulator numerical-model was built. A genetic algorithm was then employed to search for optimal controller gains. The controller was tested onsite a generic circular mission. The simulation results show that the technique is highly convergent with superior performance operating for different payloads.

Keywords: Stewart kinematics, Stewart dynamics, task space control, genetic algorithm.

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Authors: Mahmood Reza Rahimi, Hajir Karimi

Abstract:

Downward turbulent bubbly flows in pipes were modeled using computational fluid dynamics tools. The Hydrodynamics, phase distribution and turbulent structure of twophase air-water flow in a 57.15 mm diameter and 3.06 m length vertical pipe was modeled by using the 3-D Eulerian-Eulerian multiphase flow approach. Void fraction, liquid velocity and turbulent fluctuations profiles were calculated and compared against experimental data. CFD results are in good agreement with experimental data.

Keywords: CFD, Bubbly flow, Vertical pipe, Population balance modeling, Gas void fraction, Liquid velocity, Normal turbulent stresses.

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Authors: Mliki Bouchmel, Abbassi Mohamed Ammar, Kamel Geudri, Chrigui Mouldi, Omri Ahmed

Abstract:

The objective of this work is to use the Fire Dynamics Simulator (FDS) to investigate the behavior of a kerosene small-scale fire. FDS is a Computational Fluid Dynamics (CFD) tool developed specifically for fire applications. Throughout its development, FDS is used for the resolution of practical problems in fire protection engineering. At the same time FDS is used to study fundamental fire dynamics and combustion. Predictions are based on Large Eddy Simulation (LES) with a Smagorinsky turbulence model. LES directly computes the large-scale eddies and the sub-grid scale dissipative processes are modeled. This technique is the default turbulence model which was used in this study. The validation of the numerical prediction is done using a direct comparison of combustion output variables to experimental measurements. Effect of the mesh size on the temperature evolutions is investigated and optimum grid size is suggested. Effect of width openings is investigated. Temperature distribution and species flow are presented for different operating conditions. The effect of the composition of the used fuel on atmospheric pollution is also a focus point within this work. Good predictions are obtained where the size of the computational cells within the fire compartment is less than 1/10th of the characteristic fire diameter.

Keywords: Large eddy simulation, Radiation, Turbulence, combustion, pollution.

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Authors: Zarita Zainuddin, Kumatha Thinakaran, Mohammed Shuaib

Abstract:

In today-s modern world, the number of vehicles is increasing on the road. This causes more people to choose walking instead of traveling using vehicles. Thus, proper planning of pedestrians- paths is important to ensure the safety of pedestrians in a walking area. Crowd dynamics study the pedestrians- behavior and modeling pedestrians- movement to ensure safety in their walking paths. To date, many models have been designed to ease pedestrians- movement. The Social Force Model is widely used among researchers as it is simpler and provides better simulation results. We will discuss the problem regarding the ritual of circumambulating the Ka-aba (Tawaf) where the entrances to this area are usually congested which worsens during the Hajj season. We will use the computer simulation model SimWalk which is based on the Social Force Model to simulate the movement of pilgrims in the Tawaf area. We will first discuss the effect of uni and bi-directional flows at the gates. We will then restrict certain gates to the area as the entrances only and others as exits only. From the simulations, we will study the effect of the distance of other entrances from the beginning line and their effects on the duration of pilgrims circumambulate Ka-aba. We will distribute the pilgrims at the different entrances evenly so that the congestion at the entrances can be reduced. We would also discuss the various locations and designs of barriers at the exits and its effect on the time taken for the pilgrims to exit the Tawaf area.

Keywords: circumambulation, Ka'aba, pedestrian flow, SFM, Tawaf , entrance, exit

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Authors: Sumit Kumar, Sunil Kumar, Chandan Deep Singh

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This paper presents modeling and simulation of flexible robot in an underwater environment. The underwater environment completely contrasts with ground or space environment. The robot in an underwater situation is subjected to various dynamic forces like buoyancy forces, hydrostatic and hydrodynamic forces. The underwater robot is modeled as Rayleigh beam. The developed model further allows estimating the deflection of tip in two directions. The complete dynamics of the underwater robot is analyzed, which is the main focus of this investigation. The control of robot trajectory is not discussed in this paper. Simulation is performed using Symbol Shakti software.

Keywords: Bond graph modeling, dynamics. modeling, Rayleigh beam, underwater robot.

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Authors: B. Ghosh, H. Sahoo, K. K. Mondal

Abstract:

Propagation of arbitrary amplitude nonlinear Alfven waves has been investigated in low but finite β electron-positron-ion plasma including full ion dynamics. Using Sagdeev pseudopotential method an energy integral equation has been derived. The Sagdeev potential has been calculated for different plasma parameters and it has been shown that inclusion of ion parallel motion along the magnetic field changes the nature of slow shear Alfven wave solitons from dip type to hump type. The effects of positron concentration, plasma-β and obliqueness of the wave propagation on the solitary wave structure have also been examined.

Keywords: Alfven waves, Sagdeev potential, Solitary waves.

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Authors: K. Kamalanand, P. Mannar Jawahar

Abstract:

Methods of contemporary mathematical physics such as chaos theory are useful for analyzing and understanding the behavior of complex biological and physiological systems. The three dimensional model of HIV/AIDS is the basis of active research since it provides a complete characterization of disease dynamics and the interaction of HIV-1 with the immune system. In this work, the behavior of the HIV system is analyzed using the three dimensional HIV model and a chaotic measure known as the Hurst exponent. Results demonstrate that Hurst exponents of CD4, CD8 cells and viral load vary nonlinearly with respect to variations in system parameters. Further, it was observed that the three dimensional HIV model can accommodate both persistent (H>0.5) and anti-persistent (H<0.5) dynamics of HIV states. In this paper, the objectives of the study, methodology and significant observations are presented in detail.

Keywords: HIV/AIDS, mathematical model, chaos theory, Hurst exponent

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Authors: M. Ezkurra, J. A. Esnaola, M. Martinez-Agirre, U. Etxeberria, U. Lertxundi, L. Colomo, M. Begiristain, I. Zurutuza

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Butterfly valves are widely used industrial piping components as on-off and flow controlling devices. The main challenge in the design process of this type of valves is the correct dimensioning to ensure proper mechanical performance as well as to minimise flow losses that affect the efficiency of the system. Butterfly valves are typically dimensioned in a closed position based on mechanical approaches considering uniform hydrostatic pressure, whereas the flow losses are analysed by means of CFD simulations. The main limitation of these approaches is that they do not consider either the influence of the dynamics of the manoeuvring stage or coupled phenomena. Recent works have included the influence of the flow on the mechanical behaviour for different opening angles by means of one-way FSI approach. However, these works consider steady-state flow for the selected angles, not capturing the effect of the transient flow evolution during the manoeuvring stage. Two-way FSI modelling approach could allow overcoming such limitations providing more accurate results. Nevertheless, the use of this technique is limited due to the increase in the computational cost. In the present work, the applicability of FSI one-way and two-way approaches is evaluated for the analysis of butterfly valves, showing that not considering fluid-structure coupling involves not capturing the most critical situation for the valve disc.

Keywords: Butterfly valves, fluid-structure interaction, one-way approach, two-way approach.

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Authors: K. Jagannath, Akhilesh Kotian, S. S. Sharma, Achutha Kini U., P. R. Prabhu

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Boiling process is characterized by the rapid formation of vapour bubbles at the solid–liquid interface (nucleate boiling) with pre-existing vapour or gas pockets. Computational fluid dynamics (CFD) is an important tool to study bubble dynamics. In the present study, CFD simulation has been carried out to determine the bubble detachment diameter and its terminal velocity. Volume of fluid method is used to model the bubble and the surrounding by solving single set of momentum equations and tracking the volume fraction of each of the fluids throughout the domain. In the simulation, bubble is generated by allowing water-vapour to enter a cylinder filled with liquid water through an inlet at the bottom. After the bubble is fully formed, the bubble detaches from the surface and rises up during which the bubble accelerates due to the net balance between buoyancy force and viscous drag. Finally when these forces exactly balance each other, it attains a constant terminal velocity. The bubble detachment diameter and the terminal velocity of the bubble are captured by the monitor function provided in FLUENT. The detachment diameter and the terminal velocity obtained are compared with the established results based on the shape of the bubble. A good agreement is obtained between the results obtained from simulation and the equations in comparison with the established results.

Keywords: Bubble growth, computational fluid dynamics, detachment diameter, terminal velocity.

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