Search results for: Monte Carlo simulation

Authors: J. Tengrang, T. Rungrotmongkol, S. Hannongbua

Abstract:

Every 2-3 years the influenza B virus serves epidemics. Neuraminidase (NA) is an important target for influenza drug design. Although, oseltamivir, an oral neuraminidase drug, has been shown good inhibitory efficiency against wild-type of influenza B virus, the lower susceptibility to the R152K mutation has been reported. Better understanding of oseltamivir efficiency and resistance toward the influenza B NA wild-type and R152K mutant, respectively, could be useful for rational drug design. Here, two complex systems of wild-type and R152K NAs with oseltamivir bound were studied using molecular dynamics (MD) simulations. Based on 5-ns MD simulation, the loss of notable hydrogen bond and decrease in per-residue decomposition energy from the mutated residue K152 contributed to drug compared to those of R152 in wildtype were found to be a primary source of high-level of oseltamivir resistance due to the R152K mutation.

Keywords: Influenza B neuraminidase, Molecular dynamics simulation, Oseltamivir resistance, R152K mutant

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1908

Authors: A. Safari, H. Shayeghi, H. A. Shayanfar

Abstract:

On the basis of the linearized Phillips-Herffron model of a single-machine power system, a novel method for designing unified power flow controller (UPFC) based output feedback controller is presented. The design problem of output feedback controller for UPFC is formulated as an optimization problem according to with the time domain-based objective function which is solved by iteration particle swarm optimization (IPSO) that has a strong ability to find the most optimistic results. To ensure the robustness of the proposed damping controller, the design process takes into account a wide range of operating conditions and system configurations. The simulation results prove the effectiveness and robustness of the proposed method in terms of a high performance power system. The simulation study shows that the designed controller by Iteration PSO performs better than Classical PSO in finding the solution.

Keywords: UPFC, IPSO, output feedback Controller.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1433

Authors: Abdel Ilah Alshabtat, Liang Dong

Abstract:

In this paper, we proposed a new routing protocol for Unmanned Aerial Vehicles (UAVs) that equipped with directional antenna. We named this protocol Directional Optimized Link State Routing Protocol (DOLSR). This protocol is based on the well known protocol that is called Optimized Link State Routing Protocol (OLSR). We focused in our protocol on the multipoint relay (MPR) concept which is the most important feature of this protocol. We developed a heuristic that allows DOLSR protocol to minimize the number of the multipoint relays. With this new protocol the number of overhead packets will be reduced and the End-to-End delay of the network will also be minimized. We showed through simulation that our protocol outperformed Optimized Link State Routing Protocol, Dynamic Source Routing (DSR) protocol and Ad- Hoc On demand Distance Vector (AODV) routing protocol in reducing the End-to-End delay and enhancing the overall throughput. Our evaluation of the previous protocols was based on the OPNET network simulation tool.

Keywords: Mobile Ad-Hoc Networks, Ad-Hoc RoutingProtocols, Optimized link State Routing Protocol, Unmanned AerialVehicles, Directional Antenna.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2504

Authors: Robson C. Santos, Christian N. Barreto, Gerson G. Cunha, Severino J. C. Neto

Abstract:

This paper aims to project the construction of a prototype azimuthal thruster, mounted with materials of low cost and easy access, testing in a controlled environment to measure their performance, characteristics and feasibility of future projects. The construction of the simulation of dynamic positioning software, responsible for simulating a vessel and reposition it when necessary. Validation tests were performed in the form of partial or complete system. These tests validate the system manually or automatically. The system provides an interface to the user and simulates the conditions unfavorable positioning of a vessel, accurately calculates the azimuth angle, the direction of rotation of the helix and the time that this should be turned on so that the vessel back to position original. A serial communication connects the Simulation Dynamic Positioning System with Embedded System causing the usergenerated data to simulate the DP system arrives in the form of control signals to the motors of the propellant. This article addresses issues in the marine industry employees.

Keywords: Azimuthal Thruster, Dynamic Positioning, Embedded System.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2777

Authors: Lars Laußat, Manfred Helmus, Kamil Szczesny, Markus König

Abstract:

As one result of the project “Reactive Construction Project Scheduling using Real Time Construction Logistic Data and Simulation”, a procedure for using data about uncertain resource availability assumptions in reactive scheduling processes has been developed. Prediction data about resource availability is generated in a formalized way using real-time monitoring data e.g. from auto-ID systems on the construction site and in the supply chains. The paper focusses on the formalization of the procedure for monitoring construction logistic processes, for the detection of disturbance and for generating of new and uncertain scheduling assumptions for the reactive resource constrained simulation procedure that is and will be further described in other papers.

Keywords: Auto-ID, Construction Logistic, Fuzzy, Monitoring, RFID, Scheduling.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1776

Authors: N.Boontian

Abstract:

A novel calibration approach that aims to reduce ASM2d parameter subsets and decrease the model complexity is presented. This approach does not require high computational demand and reduces the number of modeling parameters required to achieve the ASMs calibration by employing a sensitivity and iteration methodology. Parameter sensitivity is a crucial factor and the iteration methodology enables refinement of the simulation parameter values. When completing the iteration process, parameters values are determined in descending order of their sensitivities. The number of iterations required is equal to the number of model parameters of the parameter significance ranking. This approach was used for the ASM2d model to the evaluated EBPR phosphorus removal and it was successful. Results of the simulation provide calibration parameters. These included YPAO, YPO4, YPHA, qPHA, qPP, μPAO, bPAO, bPP, bPHA, KPS, YA, μAUT, bAUT, KO2 AUT, and KNH4 AUT. Those parameters were corresponding to the experimental data available.

Keywords: ASM2d, calibration approach, iteration methodology, sensitivity, phosphorus removal

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2419

Authors: D. Toghraie, A. R. Azimian

Abstract:

In this paper, the Lennard -Jones potential is applied to molecules of liquid argon as well as its vapor and platinum as solid surface in order to perform a non-equilibrium molecular dynamics simulation to study the microscopic aspects of liquid-vapor-solid interactions. The channel is periodic in x and y directions and along z direction it is bounded by atomic walls. It was found that density of the liquids near the solid walls fluctuated greatly and that the structure was more like a solid than a liquid. This indicates that the interactions of solid and liquid molecules are very strong. The resultant surface tension, liquid density and vapor density are found to be well predicted when compared with the experimental data for argon. Liquid and vapor densities were found to depend on the cutoff radius which induces the use of P3M (particle-particle particle-mesh) method which was implemented for evaluation of force and surface tension.

Keywords: Lennard-Jones Potential, Molecular DynamicsSimulation, Periodic Boundary Conditions (PBC), Non-EquilibriumMolecular Dynamics (NEMD).

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2013

Authors: Naveen Chauhan, L.K. Awasthi, Narottam chand, Vivek Katiyar, Ankit Chug

Abstract:

Mobile ad-hoc networks (MANETs) are a form of wireless networks which do not require a base station for providing network connectivity. Mobile ad-hoc networks have many characteristics which distinguish them from other wireless networks which make routing in such networks a challenging task. Cluster based routing is one of the routing schemes for MANETs in which various clusters of mobile nodes are formed with each cluster having its own clusterhead which is responsible for routing among clusters. In this paper we have proposed and implemented a distributed weighted clustering algorithm for MANETs. This approach is based on combined weight metric that takes into account several system parameters like the node degree, transmission range, energy and mobility of the nodes. We have evaluated the performance of proposed scheme through simulation in various network situations. Simulation results show that proposed scheme outperforms the original distributed weighted clustering algorithm (DWCA).

Keywords: MANETs, Clustering, Routing, WirelessCommunication, Distributed Clustering

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1890

Authors: P.Tripura, Y.Srinivasa Kishore Babu

Abstract:

This paper presents an intelligent speed control system based on fuzzy logic for a voltage source PWM inverter-fed indirect vector controlled induction motor drive. Traditional indirect vector control system of induction motor introduces conventional PI regulator in outer speed loop; it is proved that the low precision of the speed regulator debases the performance of the whole system. To overcome this problem, replacement of PI controller by an intelligent controller based on fuzzy set theory is proposed. The performance of the intelligent controller has been investigated through digital simulation using MATLAB-SIMULINK package for different operating conditions such as sudden change in reference speed and load torque. The simulation results demonstrate that the performance of the proposed controller is better than that of the conventional PI controller.

Keywords: Fuzzy Logic, Intelligent controllers, Conventional PI controller, Induction motor drives, indirect vector control, Speed control

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 6498

Authors: A. Balabel, A. F. Khadrawi, Ali S. Al-Osaimy

Abstract:

The hydrodynamic and thermal behaviors of fluid flow in wavy microchannel are investigated numerically. Effects of Reynolds number on the hydrodynamics and thermal behaviors are investigated. Three cases of Reynolds number (580, 1244, and 1910) are adopted in this study. It is found that the separation zone begin appears when Reynolds number is greater than 1910 at the endsection of the wave. Also it is found that dimensionless maximum velocity at the mid-section of the wave decreases and becomes as a turbulent behavior as Reynolds numbers increases. The maximum temperature at the center line at the mid-section of the wave increases as Reynolds number increases until it reaches the turbulent behavior when Reynolds number is equal or greater than 1244, while this behavior will be achieved at very high velocities at the end section of the wave.

Keywords: Thermo-Fluid Behavior, Microelectronic Devices, Numerical Simulation, Wavy Microchannel.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1354

Authors: M. Cermak, T. Karasek, J. Rojicek

Abstract:

The key role in phenomenological modelling of cyclic plasticity is good understanding of stress-strain behaviour of given material. There are many models describing behaviour of materials using numerous parameters and constants. Combination of individual parameters in those material models significantly determines whether observed and predicted results are in compliance. Parameter identification techniques such as random gradient, genetic algorithm and sensitivity analysis are used for identification of parameters using numerical modelling and simulation. In this paper genetic algorithm and sensitivity analysis are used to study effect of 4 parameters of modified AbdelKarim-Ohno cyclic plasticity model. Results predicted by Finite Element (FE) simulation are compared with experimental data from biaxial ratcheting test with semi-elliptical loading path.

Keywords: Genetic algorithm, sensitivity analysis, inverse approach, finite element method, cyclic plasticity, ratcheting.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2372

Authors: Liu Xuedong, Liu Hanpeng, Zhou Ling

Abstract:

Study fluid flow and heat transfer characteristics of microchannel in a primary Cross-corrugated(CC) surface recuperators with corrugations and without corrugations, using CFD method. The pitch-over-height ratios P/H of Cross-corrugated (CC) surface is from 1.5 to 4.0, included angles β=75º. The study was performed using CFD software FLUENT to create unit model and simulate fluid temperature, velocity, heat transfer coefficient and other parameters. The results from these simulations were compared to experimental data. It is concluded that, when the Reynolds number is constant, if increase P/H, j/f will decrease, also the decreasing trend will become weak. Under the condition of P/H=2.2, if increase the inlet velocity j/f will decrease; in addition, the heat transfer performance in surface with corrugation will increase 10% compared to that without corrugation. The study results can provide the basis to optimize the design, select the type of heat transfer surface, the scale structure, and heat-transfer surface arrangement for recuperators.

Keywords: Cross-corrugated surface, Primary surface, Numerical simulation, Heat transfer.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2248

Authors: Ethar H. Khalil, Bahaa I. Kazem

Abstract:

In this work a software simulation model has been proposed for two driven wheels mobile robot path planning; that can navigate in dynamic environment with static distributed obstacles. The work involves utilizing Bezier curve method in a proposed N order matrix form; for engineering the mobile robot path. The Bezier curve drawbacks in this field have been diagnosed. Two directions: Up and Right function has been proposed; Probability Recursive Function (PRF) to overcome those drawbacks. PRF functionality has been developed through a proposed; obstacle detection function, optimization function which has the capability of prediction the optimum path without comparison between all feasible paths, and N order Bezier curve function that ensures the drawing of the obtained path. The simulation results that have been taken showed; the mobile robot travels successfully from starting point and reaching its goal point. All obstacles that are located in its way have been avoided. This navigation is being done successfully using the proposed PRF techniques.

Keywords: Mobile robot, path planning, Bezier curve.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1461

Authors: Farhana Mohamad Yusop, Syafrudin Masri, Dahaman Ishak, Mohamad Kamarol

Abstract:

Electromagnetic forces on three-phase five-wire (3P5W) busbar system is investigated under three-phase short-circuits current. The conductor busbar placed in compact galvanized steel enclosure is in the rectangular shape. Transient analysis from Opera-2D is carried out to develop the model of three-phase short-circuits current in the system. The result of the simulation is compared with the calculation result, which is obtained by applying the theories of Biot Savart’s law and Laplace equation. Under this analytical approach, the moment of peak short-circuit current is taken into account. The effect upon geometrical arrangement of the conductor and the present of the steel enclosure are considered by the theory of image. The result depict that the electromagnetic force due to the transient short-circuit from simulation is agreed with the calculation.

Keywords: Busbar, electromagnetic force, short-circuit current, transient analysis.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3993

Authors: Wittawat Wasusathien, Samran Santalunai, Thanaset Thosdeekoraphat, Chanchai Thongsopa

Abstract:

This paper presents breast cancer detection by observing the specific absorption rate (SAR) intensity for identification tumor location, the tumor is identified in coordinates (x,y,z) system. We examined the frequency between 4-8 GHz to look for the most appropriate frequency. Results are simulated in frequency 4-8 GHz, the model overview include normal breast with 50 mm radian, 5 mm diameter of tumor, and ultra wideband (UWB) bowtie antenna. The models are created and simulated in CST Microwave Studio. For this simulation, we changed antenna to 5 location around the breast, the tumor can be detected when an antenna is close to the tumor location, which the coordinate of maximum SAR is approximated the tumor location. For reliable, we experiment by random tumor location to 3 position in the same size of tumor and simulation the result again by varying the antenna position in 5 position again, and it also detectable the tumor position from the antenna that nearby tumor position by maximum value of SAR, which it can be detected the tumor with precision in all frequency between 4-8 GHz.

Keywords: Specific absorption rate (SAR), ultra wideband (UWB), coordinates and cancer detection

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2747

Authors: R. N. Patel

Abstract:

This paper deals with the tuning of parameters for Automatic Generation Control (AGC). A two area interconnected hydrothermal system with PI controller is considered. Genetic Algorithm (GA) and Particle Swarm optimization (PSO) algorithms have been applied to optimize the controller parameters. Two objective functions namely Integral Square Error (ISE) and Integral of Time-multiplied Absolute value of the Error (ITAE) are considered for optimization. The effectiveness of an objective function is considered based on the variation in tie line power and change in frequency in both the areas. MATLAB/SIMULINK was used as a simulation tool. Simulation results reveal that ITAE is a better objective function than ISE. Performances of optimization algorithms are also compared and it was found that genetic algorithm gives better results than particle swarm optimization algorithm for the problems of AGC.

Keywords: Area control error, Artificial intelligence, Automatic generation control, Genetic Algorithms and modeling, ISE, ITAE, Particle swarm optimization.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2029

Authors: Hossein Mamusi, Abolfazl Masoumi, Ramezanali Mahdavinezhad

Abstract:

Tailor-welded Blanks (TWBs) are tailor made for different complex component designs by welding multiple metal sheets with different thicknesses, shapes, coatings or strengths prior to forming. In this study the Hemispherical Die Stretching (HDS) test (out-of-plane stretching) of TWBs were simulated via ABAQUS/Explicit to obtain the Forming Limit Diagrams (FLDs) of Stainless steel (AISI 304) laser welded blanks with different thicknesses. Two criteria were used to detect the start of necking to determine the FLD for TWBs and parent sheet metals. These two criteria are the second derivatives of the major and thickness strains that are given from the strain history of simulation. In the other word, in these criteria necking starts when the second derivative of thickness or major strain reaches its maximum. With having the time of onset necking, one can measure the major and minor strains at the critical area and determine the forming limit curve.

Keywords: TWB, Forming Limit Diagram, Necking criteria, ABAQUS/Explicit

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1642

Authors: Jürgen Geiser, Robert Röhle

Abstract:

In this paper we present modeling and simulation for physical vapor deposition for metallic bipolar plates. In the models we discuss the application of different models to simulate the transport of chemical reactions of the gas species in the gas chamber. The so called sputter process is an extremely sensitive process to deposit thin layers to metallic plates. We have taken into account lower order models to obtain first results with respect to the gas fluxes and the kinetics in the chamber. The model equations can be treated analytically in some circumstances and complicated multi-dimensional models are solved numerically with a software-package (UG unstructed grids, see [1]). Because of multi-scaling and multi-physical behavior of the models, we discuss adapted schemes to solve more accurate in the different domains and scales. The results are discussed with physical experiments to give a valid model for the assumed growth of thin layers.

Keywords: Convection-diffusion equations, multi-scale problem, physical vapor deposition, reaction equations, splitting methods.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1737

Authors: A. Arockia Selvakumar, R. Sivaramakrishnan, Srinivasa Karthik.T.V, Valluri Siva Ramakrishna, B.Vinodh.

Abstract:

Industrial robots play a vital role in automation however only little effort are taken for the application of robots in machining work such as Grinding, Cutting, Milling, Drilling, Polishing etc. Robot parallel manipulators have high stiffness, rigidity and accuracy, which cannot be provided by conventional serial robot manipulators. The aim of this paper is to perform the modeling and the workspace analysis of a 3 DOF Parallel Manipulator (3 DOF PM). The 3 DOF PM was modeled and simulated using 'ADAMS'. The concept involved is based on the transformation of motion from a screw joint to a spherical joint through a connecting link. This paper work has been planned to model the Parallel Manipulator (PM) using screw joints for very accurate positioning. A workspace analysis has been done for the determination of work volume of the 3 DOF PM. The position of the spherical joints connected to the moving platform and the circumferential points of the moving platform were considered for finding the workspace. After the simulation, the position of the joints of the moving platform was noted with respect to simulation time and these points were given as input to the 'MATLAB' for getting the work envelope. Then 'AUTOCAD' is used for determining the work volume. The obtained values were compared with analytical approach by using Pappus-Guldinus Theorem. The analysis had been dealt by considering the parameters, link length and radius of the moving platform. From the results it is found that the radius of moving platform is directly proportional to the work volume for a constant link length and the link length is also directly proportional to the work volume, at a constant radius of the moving platform.

Keywords: Three Degrees of freedom Parallel Manipulator (3DOF PM), ADAMS, Work volume, MATLAB, AUTOCAD, Pappus- Guldinus Theorem.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2994

Authors: M. Hakak Khadem, S. Hossainpour, M. Shams

Abstract:

A numerical simulation of micro Poiseuille flow has performed for rarefied and compressible flow at slip flow regimes. The wall roughness is simulated in two cases with triangular microelements and random micro peaks distributed on wall surfaces to study the effects of roughness shape and distribution on flow field. Two values of Mach and Knudsen numbers have used to investigate the effects of rarefaction as well as compressibility. The numerical results have also checked with available theoretical and experimental relations and good agreements has achieved. High influence of roughness shape can be seen for both compressible and incompressible rarefied flows. In addition it is found that rarefaction has more significant effect on flow field in microchannels with higher relative roughness. It is also found that compressibility has more significant effects on Poiseuille number when relative roughness increases.

Keywords: Relative roughness, slip flow, Poiseuille number, roughness distribution.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1164

Authors: Zone-Ching Lin, Hao-Yuan Jheng, Shih-Hung Ma

Abstract:

The present paper proposes using atomic force microscopy (AFM) and the concept of specific down force energy (SDFE) to establish a method for fabricating and cutting the burr for Y shape nanochannel on silicon (Si) substrate. For fabricating Y shape nanochannel, it first makes the experimental cutting path planning for fabricating Y shape nanochannel until the fifth cutting layer. Using the constant down force by AFM and SDFE theory and following the experimental cutting path planning, the cutting depth and width of each pass of Y shape nanochannel can be predicted by simulation. The paper plans the path for cutting the burr at the edge of Y shape nanochannel. Then, it carries out cutting the burr along the Y nanochannel edge by using a smaller down force. The height of standing burr at the edge is required to be below the set value of 0.54 nm. The results of simulation and experiment of fabricating and cutting the burr for Y shape nanochannel is further compared.

Keywords: Atomic force microscopy, nanochannel, specific down force energy, Y shape, burr, silicon.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1080

Authors: Brenden M. Shutt, Lubjana Beshaj, Paul L. Goethals, Ambrose Kam

Abstract:

Communication security is of particular interest to military data networks. A relatively novel approach to network security is blockchain, a cryptographically secured distribution ledger with a decentralized consensus mechanism for data transaction processing. Recent advances in blockchain technology have proposed new techniques for both data validation and trust management, as well as different frameworks for managing dataflow. The purpose of this work is to test the feasibility of different blockchain architectures as applied to military command and control networks. Various architectures are tested through discrete-event simulation and the feasibility is determined based upon a blockchain design’s ability to maintain long-term stable performance at industry standards of throughput, network latency, and security. This work proposes a consortium blockchain architecture with a computationally inexpensive consensus mechanism, one that leverages a Proof-of-Identity (PoI) concept and a reputation management mechanism.

Keywords: Blockchain, command & control network, discrete-event simulation, reputation management.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 846

Authors: Tor Kindsbekken Kjeldby, Ruud Henkes, Ole Jørgen Nydal

Abstract:

Experimental data from an atmospheric air/water terrain slugging case has been made available by the Shell Amsterdam research center, and has been subject to numerical simulation and comparison with a one-dimensional two-phase slug tracking simulator under development at the Norwegian University of Science and Technology. The code is based on tracking of liquid slugs in pipelines by use of a Lagrangian grid formulation implemented in Cµ by use of object oriented techniques. An existing hybrid spatial discretization scheme is tested, in which the stratified regions are modelled by the two-fluid model. The slug regions are treated incompressible, thus requiring a single momentum balance over the whole slug. Upon comparison with the experimental data, the period of the simulated severe slugging cycle is observed to be sensitive to slug generation in the horizontal parts of the system. Two different slug initiation methods have been tested with the slug tracking code, and grid dependency has been investigated.

Keywords: Hydrodynamic initiation, slug tracking, terrain slugging, two-fluid model, two-phase flow.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3220

Authors: W. P. Hu, J. V. Kumar, Jeffrey J. P. Tsai

Abstract:

The inhibition of SH2 domain regulated protein-protein interactions is an attractive target for developing an effective chemotherapeutic approach in the treatment of disease. Molecular simulation is a useful tool for developing new drugs and for studying molecular recognition. In this study, we searched potential drug compounds for the inhibition of SH2 domain by performing structural similarity search in PubChem Compound Database. A total of 37 compounds were screened from the database, and then we used the LibDock docking program to evaluate the inhibition effect. The best three compounds (AP22408, CID 71463546 and CID 9917321) were chosen for MD simulations after the LibDock docking. Our results show that the compound CID 9917321 can produce a more stable protein-ligand complex compared to other two currently known inhibitors of Src SH2 domain. The compound CID 9917321 may be useful for the inhibition of SH2 domain based on these computational results. Subsequently experiments are needed to verify the effect of compound CID 9917321 on the SH2 domain in the future studies.

Keywords: Nonpeptide inhibitor, Src SH2 domain, LibDock, molecular dynamics simulation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2077

Authors: B. Arzhanov, A. Correia, P. Delgado, J. Meireles

Abstract:

Quad Flat No-Lead (QFN) packages have become very popular for turners, converters and audio amplifiers, among others applications, needing efficient power dissipation in small footprints. Since semiconductor junction temperature (T_J) is a critical parameter in the product quality. And to ensure that die temperature does not exceed the maximum allowable T_J, a thermal analysis conducted in an earlier development phase is essential to avoid repeated re-designs process with huge losses in cost and time. A simulation tool capable to estimate die temperature of components with QFN package was developed. Allow establish a non-empirical way to define an acceptance criterion for amount of voids in solder interface between its exposed pad and Printed Circuit Board (PCB) to be applied during industrialization process, and evaluate the impact of PCB designs parameters. Targeting PCB layout designer as an end user for the application, a user-friendly interface (GUI) was implemented allowing user to introduce design parameters in a convenient and secure way and hiding all the complexity of finite element simulation process. This cost effective tool turns transparent a simulating process and provides useful outputs after acceptable time, which can be adopted by PCB designers, preventing potential risks during the design stage and make product economically efficient by not oversizing it. This article gathers relevant information related to the design and implementation of the developed tool, presenting a parametric study conducted with it. The simulation tool was experimentally validated using a Thermal-Test-Chip (TTC) in a QFN open-cavity, in order to measure junction temperature (T_J) directly on the die under controlled and knowing conditions. Providing a short overview about standard thermal solutions and impacts in exposed pad packages (i.e. QFN), accurately describe the methods and techniques that the system designer should use to achieve optimum thermal performance, and demonstrate the effect of system-level constraints on the thermal performance of the design.

Keywords: Quad Flat No-Lead packages, exposed pads, junction temperature, thermal management and measurements.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1925

Authors: Mohd K. Yunus, Murni M. Ahmad, Abrar Inayat, Suzana Yusup

Abstract:

Due to the environmental and price issues of current energy crisis, scientists and technologists around the globe are intensively searching for new environmentally less-impact form of clean energy that will reduce the high dependency on fossil fuel. Particularly hydrogen can be produced from biomass via thermochemical processes including pyrolysis and gasification due to the economic advantage and can be further enhanced through in-situ carbon dioxide removal using calcium oxide. This work focuses on the synthesis and development of the flowsheet for the enhanced biomass gasification process in PETRONAS-s iCON process simulation software. This hydrogen prediction model is conducted at operating temperature between 600 to 1000oC at atmospheric pressure. Effects of temperature, steam-to-biomass ratio and adsorbent-to-biomass ratio were studied and 0.85 mol fraction of hydrogen is predicted in the product gas. Comparisons of the results are also made with experimental data from literature. The preliminary economic potential of developed system is RM 12.57 x 106 which equivalent to USD 3.77 x 106 annually shows economic viability of this process.

Keywords: Biomass, Gasification, Hydrogen, iCON.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2604

Authors: F.C. Amadi, G. C. Enyi, G. G. Nasr

Abstract:

Hydraulic fracturing is one of the most important stimulation techniques available to the petroleum engineer to extract hydrocarbons in tight gas sandstones. It allows more oil and gas production in tight reservoirs as compared to conventional means. The main aim of the study is to optimize the hydraulic fracturing as technique and for this purpose three multi-zones layer formation is considered and fractured contemporaneously. The three zones are named as Zone1 (upper zone), Zone2 (middle zone) and Zone3 (lower zone) respectively and they all occur in shale rock. Simulation was performed with Mfrac integrated software which gives a variety of 3D fracture options. This simulation process yielded an average fracture efficiency of 93.8%for the three respective zones and an increase of the average permeability of the rock system. An average fracture length of 909 ft with net height (propped height) of 210 ft (average) was achieved. Optimum fracturing results was also achieved with maximum fracture width of 0.379 inches at an injection rate of 13.01 bpm with 17995 Mscf of gas production.

Keywords: Hydraulic fracturing, Mfrac, Optimisation, Tight reservoir.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1958

Authors: Ajoy Kumar Das, Prasenjit Dey

Abstract:

Heat transfer due to forced convection of copper water based nanofluid has been predicted by Artificial Neural network (ANN). The present nanofluid is formed by mixing copper nanoparticles in water and the volume fractions are considered here are 0% to 15% and the Reynolds number are kept constant at 100. The back propagation algorithm is used to train the network. The present ANN is trained by the input and output data which has been obtained from the numerical simulation, performed in finite volume based Computational Fluid Dynamics (CFD) commercial software Ansys Fluent. The numerical simulation based results are compared with the back propagation based ANN results. It is found that the forced convection heat transfer of water based nanofluid can be predicted correctly by ANN. It is also observed that the back propagation ANN can predict the heat transfer characteristics of nanofluid very quickly compared to standard CFD method.

Keywords: Forced convection, Square cylinder, nanofluid, neural network.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2361

Authors: M. Hossein Ghadiri, Mohd Farid Mohamed, N. Lukman N. Ibrahim

Abstract:

Wind catchers are traditional natural ventilation systems attached to buildings in order to ventilate the indoor air. The most common type of wind catcher is four sided one which is capable to catch wind in all directions. CFD simulation is the perfect way to evaluate the wind catcher performance. The accuracy of CFD results is the issue of concern, so sensitivity analyses is crucial to find out the effect of different settings of CFD on results. This paper presents a series of 3D steady RANS simulations for a generic isolated four-sided wind catcher attached to a room subjected to wind direction ranging from 0º to 180º with an interval of 45º. The CFD simulations are validated with detailed wind tunnel experiments. The influence of an extensive range of computational parameters is explored in this paper, including the resolution of the computational grid, the size of the computational domain and the turbulence model. This study found that CFD simulation is a reliable method for wind catcher study, but it is less accurate in prediction of models with non perpendicular wind directions.

Keywords: Wind catcher, CFD, natural ventilation, sensitivity study.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2693

Authors: A. Hamidi, S. Khelladi, L. Illoul, A. Tcharkhtchi

Abstract:

Reactive rotational molding (RRM) is a process to manufacture hollow plastic parts with reactive material has several advantages compared to conventional roto molding of thermoplastic powders: process cycle time is shorter; raw material is less expensive because polymerization occurs during processing and high-performance polymers may be used such as thermosets, thermoplastics or blends. However, several phenomena occur during this process which makes the optimization of the process quite complex. In this study, we have used a mixture of isocyanate and polyol as a reactive system. The chemical transformation of this system to polyurethane has been studied by thermal analysis and rheology tests. Thanks to these results of the curing process and rheological measurements, the kinetic and rheokinetik of polyurethane was identified. Smoothed Particle Hydrodynamics, a Lagrangian meshless method, was chosen to simulate reactive fluid flow in 2 and 3D configurations of the polyurethane during the process taking into account the chemical, and chemiorehological results obtained experimentally in this study.

Keywords: Reactive rotational molding, free surface flows, simulation, smoothed particle hydrodynamics, surface tension.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1076