Search results for: Ab initio molecular dynamics simulations

Authors: Jiří Barta

Abstract:

The paper deals with simulation programs of spread of harmful substances. Air pollution has a direct impact on the quality of human life and environmental protection is currently a very hot topic. Therefore, the paper focuses on the simulation of release of harmful substances. The first part of article deals with perspectives and possibilities of implementation outputs of simulations programs into the system which is education and of practical training of the management staff during emergency events in the frame of critical infrastructure. The last part shows the practical testing and evaluation of simulation programs. Of the tested simulations software been selected Symos97. The tool offers advanced features for setting leakage. Gradually allows the user to model the terrain, location, and method of escape of harmful substances.

Keywords: Computer Simulation, Symos97, spread, simulation software, harmful substances.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 951

Authors: Osama A. Marzouk

Abstract:

We propose a reduced-ordermodel for the instantaneous hydrodynamic force on a cylinder. The model consists of a system of two ordinary differential equations (ODEs), which can be integrated in time to yield very accurate histories of the resultant force and its direction. In contrast to several existing models, the proposed model considers the actual (total) hydrodynamic force rather than its perpendicular or parallel projection (the lift and drag), and captures the complete force rather than the oscillatory part only. We study and provide descriptions of the relationship between the model parameters, evaluated utilizing results from numerical simulations, and the Reynolds number so that the model can be used at any arbitrary value within the considered range of 100 to 500 to provide accurate representation of the force without the need to perform timeconsuming simulations and solving the partial differential equations (PDEs) governing the flow field.

Keywords: reduced-order model, wake oscillator, nonlinear, ODEsystem

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1568

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

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2551

Authors: Timo Roestenberg, Maxim Glushenkov, Alexander Kronberg, Anton A. Verbeek, Theo H. vd Meer

Abstract:

The Pulsed Compression Reactor promises to be a compact, economical and energy efficient alternative to conventional chemical reactors. In this article, the production of synthesis gas using the Pulsed Compression Reactor is investigated. This is done experimentally as well as with simulations. The experiments are done by means of a single shot reactor, which replicates a representative, single reciprocation of the Pulsed Compression Reactor with great control over the reactant composition, reactor temperature and pressure and temperature history. Simulations are done with a relatively simple method, which uses different models for the chemistry and thermodynamic properties of the species in the reactor. Simulation results show very good agreement with the experimental data, and give great insight into the reaction processes that occur within the cycle.

Keywords: Chemical reactors, Energy, Pulsed compressionreactor, Simulation

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1641

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

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 956

Authors: M. A. Tayfun

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1314

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

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 175

Authors: D. Šedivý, S. Fialová

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1622

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

Abstract:

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

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1724

Authors: Hiroto Nakashima, Toshihiro Morita, Koichiro Ohgushi

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1536

Authors: S. Desouky, A. Al sabagh , M. Betiha, A. Badawi, A. Ghanem, S. Khalil

Abstract:

Two Amphiphilic catalysts, iron (III) dodecylbenzene sulfonate and nickel (II) dodecylbenzene sulfonate, were synthesized and used in the catalytic aquathermolysis of heavy crude oil to reduce its viscosity. The prepared catalysts exhibited good performance in the aquathermolysis and the viscosity is reduced by ~ 78.9 % for Egyptian heavy crude oil. The chemical and physical properties of heavy oil both before and after reaction were investigated by FT-IR, dynamic viscosity, molecular weight and SARA analysis. The results indicated that the content of resin, asphaltene, average molecular weight and sulfur content of heavy oil is reduced after the catalytic aquathermolysis.

Keywords: Amphiphilic catalyst, Aquathermolysis, Heavy oil, Viscosity reduction.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4523

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

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 729

Authors: Takao Sakakura, Kazunori Fujimoto

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1272

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

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1446

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

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1546

Authors: Moussa Hamdan, Abdulati Abdullah

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1661

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

Abstract:

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

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2679

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

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 266

Authors: Muzna Tariq, Ihtzaz Qamar

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 691

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

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2471

Authors: Zicheng Wang

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 628

Authors: Samir Avdakovic, Amir Nuhanovic

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2760

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

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1814

Authors: Zone-Ching Lin, Meng-Hua Lin, Ying-Chih Hsu

Abstract:

This paper uses quasi-steady molecular statics model and diamond tool to carry out simulation temperature rise of nanoscale orthogonal cutting single-crystal silicon. It further qualitatively analyzes temperature field of silicon workpiece without considering heat transfer and considering heat transfer. This paper supposes that the temperature rise of workpiece is mainly caused by two heat sources: plastic deformation heat and friction heat. Then, this paper develops a theoretical model about production of the plastic deformation heat and friction heat during nanoscale orthogonal cutting. After the increased temperature produced by these two heat sources are added up, the acquired total temperature rise at each atom of the workpiece is substituted in heat transfer finite difference equation to carry out heat transfer and calculates the temperature field in each step and makes related analysis.

Keywords: Quasi-steady molecular statics, Nanoscale orthogonal cutting, Finite difference, Temperature.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1934

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

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1962

Authors: Ali Al-Zughaibi, Huw Davies

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 5230

Authors: Arash Taheri

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1290

Authors: M. Jahangiri Lahkani, Gh. Ghassemi, N. Sohrabi, N. Rasooli

Abstract:

Geometry optimizations of metal complexes of Salen(bis(Salicylidene)1,2-ethylenediamine) were carried out at HF and DFT methods employing Lanl2DZ basis set. In this work structural, energies, bond lengths and other physical properties between Mn2+,Cu2+ and Ni2+ ions coordinated by salen–type ligands are examined. All calculations were performed using Gaussian 98W program series. To investigate local aromaticities, NICS were calculated at all centers of rings. The higher the band gap indicating a higher global aromaticity. The possible binding energies have been evaluated. We have evaluated Frequencies and Zero-point energy with freq calculation. The NICS(Nucleous Independent Chemical Shift) Results show Ni(II) complexes are antiaromatic and aromaticites of Mn(II) complexes are larger than Cu(II) complexes. The energy Results show Cu(II) complexes are stability than Mn(II) and Ni(II) complexes.

Keywords: Frequency Calculation, Hartree-Fock (HF), Nucleous Independent Chemical Shift (NICS), Salen(bis(Salicylidene)1, 2-ethylenediamine).

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1625

Authors: A. Ghaffari, A. S. Mostafavi

Abstract:

Complex assemblies of interacting proteins carry out most of the interesting jobs in a cell, such as metabolism, DNA synthesis, mitosis and cell division. These physiological properties play out as a subtle molecular dance, choreographed by underlying regulatory networks that control the activities of cyclin-dependent kinases (CDK). The network can be modeled by a set of nonlinear differential equations and its behavior predicted by numerical simulation. In this paper, an innovative approach has been proposed that uses genetic algorithms to mine a set of behavior data output by a biological system in order to determine the kinetic parameters of the system. In our approach, the machine learning method is integrated with the framework of existent biological information in a wiring diagram so that its findings are expressed in a form of system dynamic behavior. By numerical simulations it has been illustrated that the model is consistent with experiments and successfully shown that such application of genetic algorithms will highly improve the performance of mathematical model of the cell division cycle to simulate such a complicated bio-system.

Keywords: Cell cycle, Cyclin-dependent kinase, Fission yeast, Genetic algorithms, Mathematical modeling, Wiring diagram

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1507

Authors: Tudor Petreuş, Andrei Neamţu, Cristina Dascălu, Paul Dan Sîrbu, Carmen E. Cotrutz

Abstract:

Matrix metalloproteinases (MMP) are a class of structural and functional related enzymes involved in altering the natural elements of the extracellular matrix. Most of the MMP structures are cristalographycally determined and published in WorldWide ProteinDataBank, isolated, in full structure or bound to natural or synthetic inhibitors. This study proposes an algorithm to replace missing crystallographic structures in PDB database. We have compared the results of a chosen docking algorithm with a known crystallographic structure in order to validate enzyme sites reconstruction there where crystallographic data are missing.

Keywords: matrix metalloproteinases, molecular docking, structure superposition, surface complementarity.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1610