Search results for: Ab initio molecular dynamics simulations

Authors: M. A. Tayfun

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Occurrences of spurious crests on the troughs of large, relatively steep second-order Stokes waves are anomalous and not an inherent characteristic of real waves. Here, the effects of such occurrences on the statistics described by the standard second-order stochastic model are examined theoretically and by way of simulations. Theoretical results and simulations indicate that when spurious occurrences are sufficiently large, the standard model leads to physically unrealistic surface features and inaccuracies in the statistics of various surface features, in particular, the troughs and thus zero-crossing heights of large waves. Whereas inaccuracies can be fairly noticeable for long-crested waves in both deep and shallower depths, they tend to become relatively insignificant in directional waves.

Keywords: Large waves, non-linear effects, simulation, spectra, spurious crests, Stokes waves, wave breaking, wave statistics.

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Authors: K. Noah, F.-S. Lien

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In Computational Fluid Dynamics (CFD), there are a variety of numerical methods, of which some depend on macroscopic model representatives. These models can be solved by finite-volume, finite-element or finite-difference methods on a microscopic description. However, the lattice Boltzmann method (LBM) is considered to be a mesoscopic particle method, with its scale lying between the macroscopic and microscopic scales. The LBM works well for solving incompressible flow problems, but certain limitations arise from solving compressible flows, particularly at high Mach numbers. An improved lattice Boltzmann model for compressible flow problems is presented in this research study. A higher-order Taylor series expansion of the Maxwell equilibrium distribution function is used to overcome limitations in LBM when solving high-Mach-number flows. Large eddy simulation (LES) is implemented in LBM to simulate turbulent jet flows. The results have been validated with available experimental data for turbulent compressible free jet flow at subsonic speeds.

Keywords: Compressible lattice Boltzmann metho-, large eddy simulation, turbulent jet flows.

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Authors: Thochi Seb Rengma, Mahendra Kumar Gupta, P. M. V. Subbarao

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Hydrokinetic turbines can be used to produce power in inaccessible villages located near rivers. The hydrokinetic turbine uses the kinetic energy of the water and maybe put it directly into the natural flow of water without dams. For off-grid power production, the Savonius-type vertical axis turbine is the easiest to design and manufacture. This proposal uses three-dimensional Computational Fluid Dynamics (CFD) simulations to measure the considerable interaction and complexity of turbine blades. Savonius hydrokinetic turbine (SHKT) performance is affected by a blockage in the river, canals, and waterways. Putting a large object in a water channel causes water obstruction and raises local free stream velocity. The blockage correction factor or velocity increment measures the impact of velocity on the performance. SHKT performance is evaluated by comparing power coefficient (Cp) with tip-speed ratio (TSR) at various blockage ratios. The maximum Cp was obtained at a TSR of 1.1 with a blockage ratio of 45%, whereas TSR of 0.8 yielded the highest Cp without blockage. The greatest Cp of 0.29 was obtained with a 45% blockage ratio compared to a Cp max of 0.18 without a blockage.

Keywords: Savonius hydrokinetic turbine, blockage ratio, vertical axis turbine, power coefficient.

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Authors: D. Šedivý, S. Fialová

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The main purpose of this study is to show differences between the numerical solution of the flow through the artificial heart valve using Newtonian or non-Newtonian fluid. The simulation was carried out by a commercial computational fluid dynamics (CFD) package based on finite-volume method. An aortic bileaflet heart valve (Sorin Bicarbon) was used as a pattern for model of real heart valve replacement. Computed tomography (CT) was used to gain the accurate parameters of the valve. Data from CT were transferred in the commercial 3D designer, where the model for CFD was made. Carreau rheology model was applied as non-Newtonian fluid. Physiological data of cardiac cycle were used as boundary conditions. Outputs were taken the leaflets excursion from opening to closure and the fluid dynamics through the valve. This study also includes experimental measurement of pressure fields in ambience of valve for verification numerical outputs. Results put in evidence a favorable comparison between the computational solutions of flow through the mechanical heart valve using Newtonian and non-Newtonian fluid.

Keywords: Computational modeling, dynamic mesh, mechanical heart valve, non-Newtonian fluid, SDOF.

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Authors: Moustafa Osman Mohammed

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This paper introduces topological order in descried social systems starting with the original concept of autopoiesis by biologists and scientists, including the modification of general systems based on socialized medicine. Topological order is important in describing the physical systems for exploiting optical systems and improving photonic devices. The stats of topologically order have some interesting properties of topological degeneracy and fractional statistics that reveal the entanglement origin of topological order, etc. Topological ideas in photonics form exciting developments in solid-state materials, that being; insulating in the bulk, conducting electricity on their surface without dissipation or back-scattering, even in the presence of large impurities. A specific type of autopoiesis system is interrelated to the main categories amongst existing groups of the ecological phenomena interaction social and medical sciences. The hypothesis, nevertheless, has a nonlinear interaction with its natural environment ‘interactional cycle’ for exchange photon energy with molecules without changes in topology (i.e., chemical transformation into products do not propagate any changes or variation in the network topology of physical configuration). The engineering topology of a biosensor is based on the excitation boundary of surface electromagnetic waves in photonic band gap multilayer films. The device operation is similar to surface Plasmonic biosensors in which a photonic band gap film replaces metal film as the medium when surface electromagnetic waves are excited. The use of photonic band gap film offers sharper surface wave resonance leading to the potential of greatly enhanced sensitivity. So, the properties of the photonic band gap material are engineered to operate a sensor at any wavelength and conduct a surface wave resonance that ranges up to 470 nm. The wavelength is not generally accessible with surface Plasmon sensing. Lastly, the photonic band gap films have robust mechanical functions that offer new substrates for surface chemistry to understand the molecular design structure, and create sensing chips surface with different concentrations of DNA sequences in the solution to observe and track the surface mode resonance under the influences of processes that take place in the spectroscopic environment. These processes led to the development of several advanced analytical technologies, which are automated, real-time, reliable, reproducible and cost-effective. This results in faster and more accurate monitoring and detection of biomolecules on refractive index sensing, antibody–antigen reactions with a DNA or protein binding. Ultimately, the controversial aspect of molecular frictional properties is adjusted to each other in order to form unique spatial structure and dynamics of biological molecules for providing the environment mutual contribution in investigation of changes due the pathogenic archival architecture of cell clusters.

Keywords: autopoiesis, engineering topology, photonic system molecular structure, biosensor

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Authors: Abdusalam Gsiea, Ramadan Al-habashi, Mohamed Atumi, Khaled Atmimi

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We present a theoretical investigation on the structural, electronic properties and vibrational mode of nitrogen impurities in ZnO. The atomic structures, formation and transition energies and vibrational modes of (NO3)i interstitial or NO4 substituting on an oxygen site ZnO were computed using ab initio total energy methods. Based on Local density functional theory, our calculations are in agreement with one interpretation of bound-excition photoluminescence for N-doped ZnO. First-principles calculations show that (NO3)i defects interstitial or NO4 substituting on an Oxygen site in ZnO are important suitable impurity for p-type doping in ZnO. However, many experimental efforts have not resulted in reproducible p-type material with N2 and N2O doping. by means of first-principle pseudo-potential calculation we find that the use of NO or NO2 with O gas might help the experimental research to resolve the challenge of achieving p-type ZnO.

Keywords: Density functional theory, nitrogen, p-type, ZnO.

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Authors: A. Suleng, T. Jelstad Olsen, J. Šindler, P. Bárta

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A dead leg is a typical subsea production system component. CFD is required to model heat transfer within the dead leg. Unfortunately its solution is time demanding and thus not suitable for fast prediction or repeated simulations. Therefore there is a need to create a thermal FEA model, mimicking the heat flows and temperatures seen in CFD cool down simulations. This paper describes the conventional way of tuning and a new automated way using parametric model order reduction (PMOR) together with an optimization algorithm. The tuned FE analyses replicate the steady state CFD parameters within a maximum error in heat flow of 6 % and 3 % using manual and PMOR method respectively. During cool down, the relative error of the tuned FEA models with respect to temperature is below 5% comparing to the CFD. In addition, the PMOR method obtained the correct FEA setup five times faster than the manually tuned FEA.

Keywords: CFD, convective heat, FEA, model tuning, subseaproduction

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Authors: Hiroto Nakashima, Toshihiro Morita, Koichiro Ohgushi

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Laser Profiler (LP) data from aerial laser surveys have been increasingly used as topographical inputs to numerical simulations of flooding and inundation in river basins. LP data has great potential for reproducing topography, but its effective usage has not yet been fully established. In this study, flooding and inundation are simulated numerically using LP data for the Jobaru River basin of Japan’s Saga Plain. The analysis shows that the topography is reproduced satisfactorily in the computational domain with urban and agricultural areas requiring different grid sizes. A 2-D numerical simulation shows that flood flow behavior changes as grid size is varied.

Keywords: LP data, numerical simulation, topological analysis, mesh size.

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Authors: Takao Sakakura, Kazunori Fujimoto

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This paper proposes an analytical method for the dynamics of generating firms- alliance networks along with business phases. Dynamics in network developments have previously been discussed in the research areas of organizational strategy rather than in the areas of regional cluster, where the static properties of the networks are often discussed. The analytical method introduces the concept of business phases into innovation processes and uses relationships called prior experiences; this idea was developed in organizational strategy to investigate the state of networks from the viewpoints of tradeoffs between link stabilization and node exploration. This paper also discusses the results of the analytical method using five cases of the network developments of firms. The idea of Embeddedness helps interpret the backgrounds of the analytical results. The analytical method is useful for policymakers of regional clusters to establish concrete evaluation targets and a viewpoint for comparisons of policy programs.

Keywords: Regional Clusters, Alliance Networks, Innovation Processes, Prior Experiences, Embeddedness.

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Authors: A. H. Abdol Rahim, Alhassan Salami Tijani

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Hydrogen produced by means of polymer electrolyte membrane electrolyzer (PEME) is one of the most promising methods due to clean and renewable energy source. In the process, some energy loss due to mass transfer through a PEM is caused by diffusion, electro-osmotic drag, and the pressure difference between the cathode channel and anode channel. In PEME, water molecules and ionic particles transferred between the electrodes from anode to cathode, Extensive mixing of the hydrogen and oxygen at anode channel due to gases cross-over must be avoided. In recent times the consciousness of safety issue in high pressure PEME where the oxygen mix with hydrogen at anode channel could create, explosive conditions have generated a lot of concern. In this paper, the steady state and simulation analysis of gases crossover in PEME on the temperature and pressure effect are presented. The simulations have been analysis in MATLAB based on the well-known Fick’s Law of molecular diffusion. The simulation results indicated that as temperature increases, there is a significant decrease in operating voltage.

Keywords: Diffusion, gases cross-over, steady state.

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Authors: Moussa Hamdan, Abdulati Abdullah

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This paper presents an investigation of the fabrication of the optical devices in terms of their characteristics based on the use of the electromagnetic waves. Planar waveguides are used to examine the field modes (bound modes) and the parameters required for this structure. The modifications are conducted on surface plasmons based waveguides. Simple symmetric dielectric slab structure is used and analyzed in terms of transverse electric mode (TE-Mode) and transverse magnetic mode (TM-Mode. The paper presents mathematical and numerical solutions for solving simple symmetric plasmons and provides simulations of surface plasmons for field confinement. Asymmetric TM-mode calculations for dielectric surface plasmons are also provided.

Keywords: Surface plasmons, optical waveguides, semiconductor lasers, refractive index, slab dialectical.

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Authors: R. Sarathi, M. G. Danikas, Y. Chen, T. Tanaka

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In the present work, Pulsed Electro Acoustic (PEA) technique was adopted to understand the space charge dynamics in elastomeric material. It is observed that the polarity of the applied DC voltage voltage and its magnitude alters the space charge dynamics in insulation structure. It is also noticed that any addition of compound to the base material/processing technique have characteristic variation in the space charge injection process. It could be concluded based on the present work that the plasticizer could inject heterocharges into the insulation medium. Also it is realized that space charge magnitude is less with the addition of plasticizer. In the PEA studies, it is observed that local electric field in the insulating material can be much more than applied electric field due to space charge formation. One of the important conclusions arrived at based on PEA technique is that one could understand the safe operating electric field of an insulation material and the charge trap sites.

Keywords: Pulsed electro acoustic technique, space charge, DCvoltage, elastomers, Electric field, high voltage.

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Authors: Zeinab Galavani, Reza Rezaei-Nasirabad, Rasoul Sadighi-Bonabi

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Using a force balanced translational-radial dynamics, phase space of the moving single bubble sonoluminescence (m- SBSL) in 85% wt sulfuric acid has been numerically calculated. This phase space is compared with that of single bubble sonoluminescence (SBSL) in pure water which has been calculated by using the mere radial dynamics. It is shown that in 85% wt sulfuric acid, in a general agreement with experiment, the bubble-s positional instability threshold lays under the shape instability threshold. At the onset of spatial instability of moving sonoluminescing (SL) bubble in 85% wt sulfuric acid, temporal effects of the hydrodynamic force on the bubble translational-radial dynamics have been investigated. The appearance of non-zero history force on the moving SL bubble is because of proper condition which was produced by high viscosity of acid. Around the moving bubble collapse due to the rapid contraction of the bubble wall, the inertial based added mass force overcomes the viscous based history force and induces acceleration on the bubble translational motion.

Keywords: Bjerknes force, History force, Reynolds number, Sonoluminescence.

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Authors: Raju Bhukya, DVLN Somayajulu

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Pattern matching is one of the fundamental applications in molecular biology. Searching DNA related data is a common activity for molecular biologists. In this paper we explore the applicability of a new pattern matching technique called Index based Forward Backward Multiple Pattern Matching algorithm(IFBMPM), for DNA Sequences. Our approach avoids unnecessary comparisons in the DNA Sequence due to this; the number of comparisons of the proposed algorithm is very less compared to other existing popular methods. The number of comparisons rapidly decreases and execution time decreases accordingly and shows better performance.

Keywords: Comparisons, DNA Sequence, Index.

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Authors: T.G. Basavaraju, Subir Kumar Sarkar, C Puttamadappa

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Mobile Ad hoc Networks is an autonomous system of mobile nodes connected by multi-hop wireless links without centralized infrastructure support. As mobile communication gains popularity, the need for suitable ad hoc routing protocols will continue to grow. Efficient dynamic routing is an important research challenge in such a network. Bandwidth constrained mobile devices use on-demand approach in their routing protocols because of its effectiveness and efficiency. Many researchers have conducted numerous simulations for comparing the performance of these protocols under varying conditions and constraints. Most of them are not aware of MAC Protocols, which will impact the relative performance of routing protocols considered in different network scenarios. In this paper we investigate the choice of MAC protocols affects the relative performance of ad hoc routing protocols under different scenarios. We have evaluated the performance of these protocols using NS2 simulations. Our results show that the performance of routing protocols of ad hoc networks will suffer when run over different MAC Layer protocols.

Keywords: AODV, DSR, DSDV, MAC, MANETs, relativeperformance

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Authors: Ashiq Rahman, Sunil Thapa, Shunyao Fan, Niloy K. Dutta

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A 20-GHz and a 50-GHz pulse train are generated using a fiber ring laser setup that incorporates rational harmonic mode-locking (RHML). Two separate experiments were carried out using charcoal nanoparticles and graphene nanoparticles acting as saturable absorbers to reduce the pulse width generated from RHML. Autocorrelator trace shows that the pulse width is reduced from 5.6 ps to 3.2 ps using charcoal at 20 GHz, and to 2.7 ps using graphene at 50-GHz repetition rates, which agrees with the simulation findings. Numerical simulations have been carried out to study the effect of varying the linear and nonlinear absorbance parameters of both absorbers on output pulse widths. Experiments closely agree with the simulations.

Keywords: Fiber optics, fiber lasers, mode locking, saturable absorbers.

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Authors: Muzna Tariq, Ihtzaz Qamar

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In most engineering cases, the working temperatures inside a combustion chamber are high enough that they lie beyond the operational range of thermocouples. Furthermore, design and manufacturing limitations restrict the use of internal thermocouples in many applications. Heat transfer inside a combustion chamber is caused due to interaction of the post-combustion hot fluid with the chamber wall. Heat transfer that involves an interaction between the fluid and solid is categorized as Conjugate Heat Transfer (CHT). Therefore, to satisfy the needs of CHT, CHT Analysis is performed by using ANSYS CFD tool to estimate theoretically precise thermocouple positions at the combustion chamber wall where excessive temperatures (beyond thermocouple range) can be avoided. In accordance with these Computational Fluid Dynamics (CFD) results, a combustion chamber is designed, and a prototype is manufactured with multiple thermocouple ports positioned at the specified distances so that the temperature of hot gases can be measured on the chamber wall where the temperatures do not exceed the thermocouple working range.

Keywords: Computational Fluid Dynamics, CFD, conduction, conjugate heat transfer, CHT, convection, fluid flow, thermocouples.

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Authors: Zicheng Wang

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Offshore wind energy provides a huge potential for the expansion of renewable energies to the coastal countries. High demands are required concerning the shape and type of foundations for offshore wind turbines (OWTs) to find an economically, technically and environmentally-friendly optimal solution. A promising foundation concept is the hybrid foundation system, which consists of a steel plate attached to the outer side of a hollow steel pipe pile. In this study, the bearing behavior of a large diameter foundation is analyzed using a 3-dimensional finite element (FE) model. Non-linear plastic soil behavior is considered. The results of the numerical simulations are compared to highlight the priority of the hybrid foundation to the conventional monopile foundation.

Keywords: Hybrid foundation system, mechanical parameters, plastic soil behaviors, numerical simulations.

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Authors: A. Maddi, A. Guessoum, D. Berkani

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The purpose of this paper is to provide a practical example to the Linear Quadratic Gaussian (LQG) controller. This method includes a description and some discussion of the discrete Kalman state estimator. One aspect of this optimality is that the estimator incorporates all information that can be provided to it. It processes all available measurements, regardless of their precision, to estimate the current value of the variables of interest, with use of knowledge of the system and measurement device dynamics, the statistical description of the system noises, measurement errors, and uncertainty in the dynamics models. Since the time of its introduction, the Kalman filter has been the subject of extensive research and application, particularly in the area of autonomous or assisted navigation. For example, to determine the velocity of an aircraft or sideslip angle, one could use a Doppler radar, the velocity indications of an inertial navigation system, or the relative wind information in the air data system. Rather than ignore any of these outputs, a Kalman filter could be built to combine all of this data and knowledge of the various systems- dynamics to generate an overall best estimate of velocity and sideslip angle.

Keywords: Aircraft motion, Kalman filter, LQG control, Lateral stability, State estimator.

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Authors: Hyung T. Kwak, Jun Gao, Yao An, Alfred Kleinhammes, Yue Wu

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Surface wettability is a crucial factor in oil recovery. In oil industry, the rock wettability involves the interplay between water, oil, and solid surface. Therefore, studying the interplay between adsorptions of water and hydrocarbon molecules on solid surface would be very informative for understanding rock wettability. Here we use the in-situ Nuclear Magnetic Resonance (NMR) gas isotherm technique to study competitive adsorptions of water and isopropanol, an intermediate step from hydrocarbons. This in-situ NMR technique obtains information on thermodynamic properties such as the isotherm, molecular dynamics via spin relaxation measurements, and adsorption kinetics such as how fast the system can reach thermal equilibrium after changes of vapor pressures. Using surfaces of silica glass beads, which can be modified from hydrophilic to hydrophobic, we obtained information on the influence of surface hydrophilicity on the state of surface water via obtained thermodynamic and dynamic properties.

Keywords: Competitive adsorption, nuclear magnetic resonance, wettability.

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Authors: Samir Avdakovic, Amir Nuhanovic

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Low frequency power oscillations may be triggered by many events in the system. Most oscillations are damped by the system, but undamped oscillations can lead to system collapse. Oscillations develop as a result of rotor acceleration/deceleration following a change in active power transfer from a generator. Like the operations limits, the monitoring of power system oscillating modes is a relevant aspect of power system operation and control. Unprevented low-frequency power swings can be cause of cascading outages that can rapidly extend effect on wide region. On this regard, a Wide Area Monitoring, Protection and Control Systems (WAMPCS) help in detecting such phenomena and assess power system dynamics security. The monitoring of power system electromechanical oscillations is very important in the frame of modern power system management and control. In first part, this paper compares the different technique for identification of power system oscillations. Second part analyzes possible identification some power system dynamics behaviors Using Wide Area Monitoring Systems (WAMS) based on Phasor Measurement Units (PMUs) and wavelet technique.

Keywords: Power system oscillations, Modal analysis, Prony, Wavelet, PMU, Wide Area Monitoring System.

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Authors: Juhi Kaushik, Abhishek Agarwal, Manoj Sarda, Vatsal Sanjay, Arup Kumar Das

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Fire accidents in trains bring huge disaster to human life and property. Evacuation becomes a major challenge in such incidents owing to confined spaces, large passenger density and trains moving at high speeds. The pantry car in Indian Railways trains carry inflammable materials like cooking fuel and LPG and electrical fittings. The pantry car is therefore highly susceptible to fire accidents. Numerical simulations have been done in a pantry car of Indian locomotive train using computational fluid dynamics based software. Different scenarios of a fire outbreak have been explored by varying Heat Release Rate per Unit Area (HRRPUA) of the fire source, introduction of exhaust in the cooking area, and taking a case of an air conditioned pantry car. Temporal statures of flame and soot have been obtained for each scenario and differences have been studied and reported. Inputs from this study can be used to assess casualties in fire accidents in locomotive trains and development of smoke control/detection systems in Indian trains.

Keywords: Fire propagation, flame contour, pantry fire, soot flow.

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Authors: A. M. Fudhail, N. A. C. Sidik, M. Z. M. Rody, H. M. Zahir, M.T. Musthafah

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In this paper, fluid flow patterns of steady incompressible flow inside shear driven cavity are studied. The numerical simulations are conducted by using lattice Boltzmann method (LBM) for different Reynolds numbers. In order to simulate the flow, derivation of macroscopic hydrodynamics equations from the continuous Boltzmann equation need to be performed. Then, the numerical results of shear-driven flow inside square and triangular cavity are compared with results found in literature review. Present study found that flow patterns are affected by the geometry of the cavity and the Reynolds numbers used.

Keywords: Lattice Boltzmann method, shear driven cavity, square cavity, triangular cavity.

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Authors: Ali Al-Zughaibi, Huw Davies

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The purpose of this paper is to present a modeling and control of a quarter-car active suspension system with unknown mass, unknown time-delay and road disturbance. The objective of designing the controller is to derive a control law to achieve stability of the system and convergence that can considerably improve ride comfort and road disturbance handling. This is accomplished by using Routh-Hurwitz criterion based on defined parameters. Mathematical proof is given to show the ability of the designed controller to ensure the target of design, implementation with the active suspension system and enhancement dispersion oscillation of the system despite these problems. Simulations were also performed to control quarter car suspension, where the results obtained from these simulations verify the validity of the proposed design.

Keywords: Active suspension system, disturbance rejection, dynamic uncertainty, time-delay.

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Authors: Arash Taheri

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In this paper, effects of the ventral body planform of a swimming whale shark on the formation of ‘reverse von-Kármán vortex street’ behind the aquatic animal are studied using Fluid-Structure Interaction (FSI) approach. In this regard, incompressible Navier-Stokes equations around the whale shark’s body with a prescribed deflection dynamics are solved with the aid of Boundary Data Immersion Method (BDIM) and Implicit Large Eddy Simulation (ILES) turbulence treatment by WaterLily.jl solver; fully-written in Julia programming language. The whale shark flow simulations here are performed at high Reynolds number, i.e. 1.4 107 corresponding to the swimming of a 10 meter-whale shark at an average speed of 5 km/h. For comparison purposes, vortical flow generation behind a silky shark with a streamlined forehead eidonomy is also simulated at high Reynolds number, Re = 2 106, corresponding to the swimming of a 2 meter-silky shark at an average speed of 3.6 km/h. The results depict formation of distinct wake topologies behind the swimming sharks depending on the travelling wave oscillating amplitudes.

Keywords: Whale shark, vortex street, BDIM, FSI, functional eidonomy, bionics.

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Authors: M. Wasy Akhtar

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Multi-modal film boiling simulations are carried out on adaptive octree grids. The liquid-vapor interface is captured using the volume-of-fluid framework adjusted to account for exchanges of mass, momentum, and energy across the interface. Surface tension effects are included using a volumetric source term in the momentum equations. The phase change calculations are conducted based on the exact location and orientation of the interface; however, the source terms are calculated using the mixture variables to be consistent with the one field formulation used to represent the entire fluid domain. The numerical model on octree representation of the computational grid is first verified using test cases including advection tests in severely deforming velocity fields, gravity-based instabilities and bubble growth in uniformly superheated liquid under zero gravity. The model is then used to simulate both single and multi-modal film boiling simulations. The octree grid is dynamically adapted in order to maintain the highest grid resolution on the instability fronts using markers of interface location, volume fraction, and thermal gradients. The method thus provides an efficient platform to simulate fluid instabilities with or without phase change in the presence of body forces like gravity or shear layer instabilities.

Keywords: Boiling flows, dynamic octree grids, heat transfer, interface capturing, phase change.

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Authors: Giulio Mangano, Alberto De Marco, Giovanni Zenezini

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The concept of City Logistics (CL) has emerged to improve the impacts of last mile freight distribution in urban areas. In this paper, a System Dynamics (SD) model exploring the dynamics of the diffusion of a ICT platform for CL management across different populations is proposed. For the development of the model two sources have been used. On the one hand, the major diffusion variables and feedback loops are derived from a literature review of existing diffusion models. On the other hand, the parameters are represented by the value propositions delivered by the platform as a response to some of the users’ needs. To extract the most important value propositions the Business Model Canvas approach has been used. Such approach in fact focuses on understanding how a company can create value for her target customers. These variables and parameters are thus translated into a SD diffusion model with three different populations namely municipalities, logistics service providers, and own account carriers. Results show that, the three populations under analysis fully adopt the platform within the simulation time frame, highlighting a strong demand by different stakeholders for CL projects aiming at carrying out more efficient urban logistics operations.

Keywords: City logistics, simulation, system dynamics, business model.

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Authors: Ryszard Matysiak, Grzegorz Kamieniarz

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The deterministic quantum transfer-matrix (QTM) technique and its mathematical background are presented. This important tool in computational physics can be applied to a class of the real physical low-dimensional magnetic systems described by the Heisenberg hamiltonian which includes the macroscopic molecularbased spin chains, small size magnetic clusters embedded in some supramolecules and other interesting compounds. Using QTM, the spin degrees of freedom are accurately taken into account, yielding the thermodynamical functions at finite temperatures. In order to test the application for the susceptibility calculations to run in the parallel environment, the speed-up and efficiency of parallelization are analyzed on our platform SGI Origin 3800 with p = 128 processor units. Using Message Parallel Interface (MPI) system libraries we find the efficiency of the code of 94% for p = 128 that makes our application highly scalable.

Keywords: Deterministic simulations, low-dimensional magnets, modeling of complex systems, parallelization.

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Authors: Nuri Yucel, Muhammed Ilter Berberoglu, Salih Karaaslan, Nureddin Dinler

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The objective of this study is to investigate fire behaviors, experimentally and numerically, in a scaled version of an underground station. The effect of ventilation velocity on the fire is examined. Fire experiments are simulated by burning 10 ml isopropyl alcohol fuel in a fire pool with dimensions 5cm x 10cm x 4 mm at the center of 1/100 scaled underground station model. A commercial CFD program FLUENT was used in numerical simulations. For air flow simulations, k-ω SST turbulence model and for combustion simulation, non-premixed combustion model are used. This study showed that, the ventilation velocity is increased from 1 m/s to 3 m/s the maximum temperature in the station is found to be less for ventilation velocity of 1 m/s. The reason for these experimental result lies on the relative dominance of oxygen supply effect on cooling effect. Without piston effect, maximum temperature occurs above the fuel pool. However, when the ventilation velocity increased the flame was tilted in the direction of ventilation and the location of maximum temperature moves along the flow direction. The velocities measured experimentally in the station at different locations are well matched by the CFD simulation results. The prediction of general flow pattern is satisfactory with the smoke visualization tests. The backlayering in velocity is well predicted by CFD simulation. However, all over the station, the CFD simulations predicted higher temperatures compared to experimental measurements.

Keywords: Fire, underground station, flame propagation, CFDsimulation, k-ω SST turbulence model, non-premixed combustionmodel.

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Authors: Mutuku Muvengei, John Kihiu

Abstract:

This paper focuses on the development of bond graph dynamic model of the mechanical dynamics of an excavating mechanism previously designed to be used with small tractors, which are fabricated in the Engineering Workshops of Jomo Kenyatta University of Agriculture and Technology. To develop a mechanical dynamics model of the manipulator, forward recursive equations similar to those applied in iterative Newton-Euler method were used to obtain kinematic relationships between the time rates of joint variables and the generalized cartesian velocities for the centroids of the links. Representing the obtained kinematic relationships in bondgraphic form, while considering the link weights and momenta as the elements led to a detailed bond graph model of the manipulator. The bond graph method was found to reduce significantly the number of recursive computations performed on a 3 DOF manipulator for a mechanical dynamic model to result, hence indicating that bond graph method is more computationally efficient than the Newton-Euler method in developing dynamic models of 3 DOF planar manipulators. The model was verified by comparing the joint torque expressions of a two link planar manipulator to those obtained using Newton- Euler and Lagrangian methods as analyzed in robotic textbooks. The expressions were found to agree indicating that the model captures the aspects of rigid body dynamics of the manipulator. Based on the model developed, actuator sizing and valve sizing methodologies were developed and used to obtain the optimal sizes of the pistons and spool valve ports respectively. It was found that using the pump with the sized flow rate capacity, the engine of the tractor is able to power the excavating mechanism in digging a sandy-loom soil.

Keywords: Actuators, bond graphs, inverse dynamics, recursive equations, quintic polynomial trajectory.

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