Search results for: Computational modelling and simulation

Authors: Eugene Kindler

Abstract:

The present paper is oriented to problems of simulation of anticipatory systems, namely those that use simulation models for the aid of anticipation. A certain analogy between use of simulation and imagining will be applied to make the explication more comprehensible. The paper will be completed by notes of problems and by some existing applications. The problems consist in the fact that simulation of the mentioned anticipatory systems end is simulation of simulating systems, i.e. in computer models handling two or more modeled time axes that should be mapped to real time flow in a nondescent manner. Languages oriented to objects, processes and blocks can be used to surmount the problems.

Keywords: Anticipatory systems, Nested computer models, Discrete event simulation, Simula.

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Authors: Ishtiaq A. Chaudhry, Zia R Tahir, F. A. Siddiqui, F. Noor, M. J. Rashid

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It has experimentally been proved that the performance of compression ignition (C.I.) engine is spray characteristics related. In modern diesel engine the spray formation and the eventual combustion process are the vital processes that offer more challenges towards enhancing the engine performance. In the present work the numerical simulation has been carried out for evaporating diesel sprays using Fluent software. For computational fluid dynamics simulation “Meshing” is done using Gambit software before transmitting it into Fluent. The simulation is carried out using hot bomb conditions under varying chamber conditions such as gas pressure, nozzle diameter and fuel injection pressure. For comparison purpose, the numerical simulations the chamber conditions were kept the same as that of the experimental data. At varying chamber conditions the spray penetration rates are compared with the existing experimental results.

Keywords: Evaporating diesel sprays, Penetration rates, Hot bomb conditions.

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Authors: Nahid Ghasemi, Morteza Sohrabi, Yasan Soleymani

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The quantified residence time distribution (RTD) provides a numerical characterization of mixing in a reactor, thus allowing the process engineer to better understand mixing performance of the reactor.This paper discusses computational studies to investigate flow patterns in a two impinging streams cyclone reactor(TISCR) . Flow in the reactor was modeled with computational fluid dynamics (CFD). Utilizing the Eulerian- Lagrangian approach, implemented in FLUENT (V6.3.22), particle trajectories were obtained by solving the particle force balance equations. From simulation results obtained at different Δts, the mean residence time (tm) and the mean square deviation (σ2) were calculated. a good agreement can be observed between predicted and experimental data. Simulation results indicate that the behavior of complex reactor systems can be predicted using the CFD technique with minimum data requirement for validation.

Keywords: Impinging streams reactor, Residence timedistribution, CFD, Eulerian-Lagrangian approach

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Authors: A. Chowdhury, P. Egodawatta, J. M. McGree, A. Goonetilleke

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Hydrologic models are increasingly used as tools to predict stormwater quantity and quality from urban catchments. However, due to a range of practical issues, most models produce gross errors in simulating complex hydraulic and hydrologic systems. Difficulty in finding a robust approach for model calibration is one of the main issues. Though automatic calibration techniques are available, they are rarely used in common commercial hydraulic and hydrologic modelling software e.g. MIKE URBAN. This is partly due to the need for a large number of parameters and large datasets in the calibration process. To overcome this practical issue, a framework for automatic calibration of a hydrologic model was developed in R platform and presented in this paper. The model was developed based on the time-area conceptualization. Four calibration parameters, including initial loss, reduction factor, time of concentration and time-lag were considered as the primary set of parameters. Using these parameters, automatic calibration was performed using Approximate Bayesian Computation (ABC). ABC is a simulation-based technique for performing Bayesian inference when the likelihood is intractable or computationally expensive to compute. To test the performance and usefulness, the technique was used to simulate three small catchments in Gold Coast. For comparison, simulation outcomes from the same three catchments using commercial modelling software, MIKE URBAN were used. The graphical comparison shows strong agreement of MIKE URBAN result within the upper and lower 95% credible intervals of posterior predictions as obtained via ABC. Statistical validation for posterior predictions of runoff result using coefficient of determination (CD), root mean square error (RMSE) and maximum error (ME) was found reasonable for three study catchments. The main benefit of using ABC over MIKE URBAN is that ABC provides a posterior distribution for runoff flow prediction, and therefore associated uncertainty in predictions can be obtained. In contrast, MIKE URBAN just provides a point estimate. Based on the results of the analysis, it appears as though ABC the developed framework performs well for automatic calibration.

Keywords: Automatic calibration framework, approximate Bayesian computation, hydrologic and hydraulic modelling, MIKE URBAN software, R platform.

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Authors: A. M. Gheitaghy, H. Saffari, G. Q. Zhang

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Numerical approach based on the electrical simulation method is proposed to solve a nonlinear transient heat conduction problem with nonlinear boundary for a spherical body. This problem represents a strong nonlinearity in both the governing equation for temperature dependent thermal property and the boundary condition for combined convective and radiative cooling. By analysing the equivalent electrical model using the electrical circuit simulation program HSPICE, transient temperature and heat flux distributions at sphere can be obtained easily and fast. The solutions clearly illustrate the effect of the radiation-conduction parameter N_rc, the Biot number and the linear coefficient of temperature dependent conductivity and heat capacity. On comparing the results with corresponding numerical solutions, the accuracy and efficiency of this computational method is found to be good.

Keywords: Convective boundary, radiative boundary, electrical simulation method, nonlinear heat conduction, spherical coordinate.

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Authors: Panagiotis Kyratsis, Dr. Ing. Nikolaos Bilalis, Dr. Ing. Aristomenis Antoniadis

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Twist drills are geometrical complex tools and thus various researchers have adopted different mathematical and experimental approaches for their simulation. The present paper acknowledges the increasing use of modern CAD systems and using the API (Application Programming Interface) of a CAD system, drilling simulations are carried out. The developed DRILL3D software routine, creates parametrically controlled tool geometries and using different cutting conditions, achieves the generation of solid models for all the relevant data involved (drilling tool, cut workpiece, undeformed chip). The final data derived, consist a platform for further direct simulations regarding the determination of cutting forces, tool wear, drilling optimizations etc.

Keywords: Drilling, CAD based simulation, 3D-modelling.

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Authors: Akhilesh Khapre, Basudeb Munshi

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A computational fluid dynamics simulation is done for non-Newtonian fluid in a baffled stirred tank. The CMC solution is taken as non-Newtonian shear thinning fluid for simulation. The Reynolds Average Navier Stocks equation with steady state multi reference frame approach is used to simulate flow in the stirred tank. The turbulent flow field is modelled using realizable k-ε turbulence model. The simulated velocity profiles of Rushton turbine is validated with literature data. Then, the simulated flow field of CD-6 impeller is compared with the Rushton turbine. The flow field generated by CD-6 impeller is less in magnitude than the Rushton turbine. The impeller global parameter, power number and flow number, and entropy generation due to viscous dissipation rate is also reported.

Keywords: Computational fluid dynamics, non-Newtonian, Rushton turbine, CD-6 impeller, power number, flow number, viscous dissipation rate.

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

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

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

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Authors: Azam Marjani, Saeed Shirazian

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This work deals with modeling and simulation of SO2 removal in a ceramic membrane by means of FEM. A mass transfer model was developed to predict the performance of SO2 absorption in a chemical solvent. The model was based on solving conservation equations for gas component in the membrane. Computational fluid dynamics (CFD) of mass and momentum were used to solve the model equations. The simulations aimed to obtain the distribution of gas concentration in the absorption process. The effect of the operating parameters on the efficiency of the ceramic membrane was evaluated. The modeling findings showed that the gas phase velocity has significant effect on the removal of gas whereas the liquid phase does not affect the SO2 removal significantly. It is also indicated that the main mass transfer resistance is placed in the membrane and gas phase because of high tortuosity of the ceramic membrane.

Keywords: Gas separation, finite element, ceramic, sulphur dioxide, simulation.

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

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

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

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

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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.

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Authors: Anto Antony Samy, Atefeh Golbang, Edward Archer, Alistair McIlhagger

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Fused Deposition Modelling (FDM) is one of the additive manufacturing techniques that has become highly attractive in the industrial and academic sectors. However, parts fabricated through FDM are highly susceptible to geometrical defects such as warpage, shrinkage, and delamination that can severely affect their function. Among the thermoplastic polymer feedstock for FDM, semi-crystalline polymers are highly prone to part distortion due to polymer crystallization. In this study, the influence of FDM processing conditions such as chamber temperature and print bed temperature on the induced thermal residual stress and resulting warpage are investigated using 3D transient thermal model for a semi-crystalline polymer. The thermo-mechanical properties and the viscoelasticity of the polymer, as well as the crystallization physics which considers the crystallinity of the polymer, are coupled with the evolving temperature gradient of the print model. From the results it was observed that increasing the chamber temperature from 25 °C to 75 °C leads to a decrease of 3.3% residual stress and increase of 0.4% warpage, while decreasing bed temperature from 100 °C to 60 °C resulted in 27% increase in residual stress and a significant rise of 137% in warpage. The simulated warpage data are validated by comparing it with the measured warpage values of the samples using 3D scanning.

Keywords: Finite Element Analysis, FEA, Fused Deposition Modelling, residual stress, warpage.

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Authors: Gamal Abd El-Nasser A. Said, El-Sayed M. El-Horbaty

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Container handling problems at container terminals are NP-hard problems. This paper presents an approach using discrete-event simulation modeling to optimize solution for storage space allocation problem, taking into account all various interrelated container terminal handling activities. The proposed approach is applied on a real case study data of container terminal at Alexandria port. The computational results show the effectiveness of the proposed model for optimization of storage space allocation in container terminal where 54% reduction in containers handling time in port is achieved.

Keywords: Container terminal, discrete-event simulation, optimization, storage space allocation.

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Authors: David J. Chato, John B. McQuillen, Brian J.Motil, David F. Chao, Nengli Zhang

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In order to better understand the performance of screen channel liquid acquisition devices (LADs) in liquid oxygen (LOX), a computational fluid dynamics (CFD) simulation of LOX passing through a LAD screen channel was conducted. In the simulation, the screen is taken as a 'porous jump' where the pressure drop across the screen depends on the incoming velocity and is formulated by Δp = Av + Bv2 . The CFD simulation reveals the importance of the pressure losses due to the flow entering from across the screen and impacting and merging with the channel flow and the vortices in the channel to the cumulative flow resistance. In fact, both the flow resistance of flows impact and mergence and the resistance created by vortices are much larger than the friction and dynamic pressure losses in the channel and are comparable to the flow resistance across the screen. Therefore, these resistances in the channel must be considered as part of the evaluation for the LAD channel performance. For proper operation of a LAD in LOX these resistances must be less than the bubble point pressure for the screen channel in LOX. The simulation also presents the pressure and velocity distributions within the LAD screen channel, expanding the understanding of the fluid flow characteristics within the channel.

Keywords: Liquid acquisition devices, liquid oxygen, pressure drop, vortex, bubble point, flow rate limitation.

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Authors: A. Youseef, F. Liu

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The existing information system (IS) developments methods are not met the requirements to resolve the security related IS problems and they fail to provide a successful integration of security and systems engineering during all development process stages. Hence, the security should be considered during the whole software development process and identified with the requirements specification. This paper aims to propose an integrated security and IS engineering approach in all software development process stages by using i* language. This proposed framework categorizes into three separate parts: modelling business environment part, modelling information technology system part and modelling IS security part. The results show that considering security IS goals in the whole system development process can have a positive influence on system implementation and better meet business expectations.

Keywords: Business Process Modelling (BPM), Information System Security, Software Development Process, Requirement Engineering.

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Authors: I. Oloyede

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The COVID-19 dataset is obtained by extracting weather, longitude, latitude, ISO3666, cases and death of coronavirus patients across the globe. The data were extracted for a period of eight day choosing uniform time within the specified period. Then mapping of cases and deaths with reverence to continents were obtained. Bayesian Geostastical modelling was carried out on the dataset. The study found out that countries in the tropical region suffered less deaths/attacks compared to countries in the temperate region, this is due to high temperature in the tropical region.

Keywords: COVID-19, Bayesian, geostastical modelling, prior, posterior.

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Authors: Daniel Micallef, Damien Bounaudet, Robert N. Farrugia, Simon P. Borg, Vincent Buhagiar, Tonio Sant

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The physical effects of upstream flow obstructions such as vegetation on cross-ventilation phenomena of a building are important for issues such as indoor thermal comfort. Modelling such effects in Computational Fluid Dynamics simulations may also be challenging. The aim of this work is to establish the cross-ventilation jet behaviour in such complex terrain conditions as well as to provide guidelines on the implementation of CFD numerical simulations in order to model complex terrain features such as vegetation in an efficient manner. The methodology consists of onsite measurements on a test cell coupled with numerical simulations. It was found that the cross-ventilation flow is highly turbulent despite the very low velocities encountered internally within the test cells. While no direct measurement of the jet direction was made, the measurements indicate that flow tends to be reversed from the leeward to the windward side. Modelling such a phenomenon proves challenging and is strongly influenced by how vegetation is modelled. A solid vegetation tends to predict better the direction and magnitude of the flow than a porous vegetation approach. A simplified terrain model was also shown to provide good comparisons with observation. The findings have important implications on the study of cross-ventilation in complex terrain conditions since the flow direction does not remain trivial, as with the traditional isolated building case.

Keywords: Complex terrain, cross-ventilation, wind driven ventilation, Computational Fluid Dynamics (CFD), wind resource.

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Authors: Keny Ordaz-Hernandez, Xavier Fischer, Fouad Bennis

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In a particular case of behavioural model reduction by ANNs, a validity domain shortening has been found. In mechanics, as in other domains, the notion of validity domain allows the engineer to choose a valid model for a particular analysis or simulation. In the study of mechanical behaviour for a cantilever beam (using linear and non-linear models), Multi-Layer Perceptron (MLP) Backpropagation (BP) networks have been applied as model reduction technique. This reduced model is constructed to be more efficient than the non-reduced model. Within a less extended domain, the ANN reduced model estimates correctly the non-linear response, with a lower computational cost. It has been found that the neural network model is not able to approximate the linear behaviour while it does approximate the non-linear behaviour very well. The details of the case are provided with an example of the cantilever beam behaviour modelling.

Keywords: artificial neural network, validity domain, cantileverbeam, non-linear behaviour, model reduction.

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Authors: Mohamed Elghorab, Vendra C. Madhav Rao, Jennifer X. Wen

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Turbulence modelling is still evolving, and efforts are on to improve and develop numerical methods to simulate the real turbulence structures by using the empirical and experimental information. The monotonically integrated large eddy simulation (MILES) is an attractive approach for modelling turbulence in high Re flows, which is based on the solving of the unfiltered flow equations with no explicit sub-grid scale (SGS) model. In the current work, this approach has been used, and the action of the SGS model has been included implicitly by intrinsic nonlinear high-frequency filters built into the convection discretization schemes. The MILES solver is developed using the opensource CFD OpenFOAM libraries. The role of flux limiters schemes namely, Gamma, superBee, van-Albada and van-Leer, is studied in predicting turbulent statistical quantities for a fully developed channel flow with a friction Reynolds number, Re_T = 180, and compared the numerical predictions with the well-established Direct Numerical Simulation (DNS) results for studying the wall generated turbulence. It is inferred from the numerical predictions that Gamma, van-Leer and van-Albada limiters produced more diffusion and overpredicted the velocity profiles, while superBee scheme reproduced velocity profiles and turbulence statistical quantities in good agreement with the reference DNS data in the streamwise direction although it deviated slightly in the spanwise and normal to the wall directions. The simulation results are further discussed in terms of the turbulence intensities and Reynolds stresses averaged in time and space to draw conclusion on the flux limiter schemes performance in OpenFOAM context.

Keywords: Flux limiters, MILES, OpenFOAM, turbulence structures, TVD schemes.

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Authors: Seong-Su Jeon, Seong-Jin Kim, Goon-Cherl Park

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In this study, direct numerical simulation for the bubble condensation in the subcooled boiling flow was performed. The main goal was to develop the CFD modeling for the bubble condensation and to evaluate the accuracy of the VOF model with the developed CFD modeling. CFD modeling for the bubble condensation was developed by modeling the source terms in the governing equations of VOF model using UDF. In the modeling, the amount of condensation was determined using the interfacial heat transfer coefficient obtained from the bubble velocity, liquid temperature and bubble diameter every time step. To evaluate the VOF model using the CFD modeling for the bubble condensation, CFD simulation results were compared with SNU experimental results such as bubble volume and shape, interfacial area, bubble diameter and bubble velocity. Simulation results predicted well the behavior of the actual condensing bubble. Therefore, it can be concluded that the VOF model using the CFD modeling for the bubble condensation will be a useful computational fluid dynamics tool for analyzing the behavior of the condensing bubble in a wide range of the subcooled boiling flow.

Keywords: Bubble condensation, CFD modeling, Subcooled boiling flow, VOF model.

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Authors: Malik I. Al-Amayreh, Mohammad I. Kilani, Ahmed S. Al-Salaymeh

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This work presents a Computational Fluid Dynamics (CFD) simulation of a butterfly valve used to control the flow of combustible gas mixture in an industrial process setting.The work uses CFD simulation to analyze the flow characteristics in the vicinity of the valve, including the pressure distributions and Frequency spectrum of the pressure pulsations downstream the valves and the vortex shedding allow predicting the torque fluctuations acting on the valve shaft and the possibility of generating mechanical vibration and resonance.These fluctuations are due to aerodynamic torque resulting from fluid turbulence and vortex shedding in the valve vicinity. The valve analyzed is located in a pipeline between two opposing 90o elbows, which exposes the valve and the surrounding structure to the turbulence generated upstream and downstream the elbows at either end of the pipe.CFD simulations show that the best location for the valve from a vibration point of view is in the middle of the pipe joining the elbows.

Keywords: Butterfly Valve Vibration Analysis, Computational Fluid Dynamics, Fluid Flow Circuit Design, Fluid Mechanics.

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Authors: T. Esmaeili, A. A. Dehghani, A. R. Zahiri, K. Suzuki

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Due to the three- dimensional flow pattern interacting with bed material, the process of local scour around bridge piers is complex. Modeling 3D flow field and scour hole evolution around a bridge pier is more feasible nowadays because the computational cost and computational time have significantly decreased. In order to evaluate local flow and scouring around a bridge pier, a completely three-dimensional numerical model, SSIIM program, was used. The model solves 3-D Navier-Stokes equations and a bed load conservation equation. The model was applied to simulate local flow and scouring around a bridge pier in a large natural river with four piers. Computation for 1 day of flood condition was carried out to predict the maximum local scour depth. The results show that the SSIIM program can be used efficiently for simulating the scouring in natural rivers. The results also showed that among the various turbulence models, the k-ω model gives more reasonable results.

Keywords: Bridge piers, flood, numerical simulation, SSIIM.

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Authors: J. Mbihi

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This paper presents a dynamic architecture of digital duty-cycle modulation control drivers. Compared to most oversampling digital modulation schemes encountered in industrial electronics, its novelty is founded on a number of relevant merits including; embedded positive and negative feedback loops, internal modulation clock, structural simplicity, elementary building operators, no explicit need of samples of the nonlinear duty-cycle function when computing the switching modulated signal, and minimum number of design parameters. A prototyping digital control driver is synthesized and well tested within MATLAB/Simulink workspace. Then, the virtual simulation results and performance obtained under a sample of relevant instrumentation and control systems are presented, in order to show the feasibility, the reliability, and the versatility of target applications, of the proposed class of low cost and high quality digital control drivers in industrial electronics.

Keywords: Dynamic architecture, virtual simulation, duty-cycle modulation, digital control drivers, industrial electronics.

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Authors: M. Stewart, Ameer Al-Khaykan, J. M. Counsell

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Emissions are a consequence of electricity generation. A major option for low carbon generation, local energy systems featuring Combined Heat and Power with solar PV (CHPV) has significant potential to increase energy performance, increase resilience, and offer greater control of local energy prices while complementing the UK’s emissions standards and targets. Recent advances in dynamic modelling and simulation of buildings and clusters of buildings using the IDEAS framework have successfully validated a novel multi-vector (simultaneous control of both heat and electricity) approach to integrating the wide range of primary and secondary plant typical of local energy systems designs including CHP, solar PV, gas boilers, absorption chillers and thermal energy storage, and associated electrical and hot water networks, all operating under a single unified control strategy. Results from this work indicate through simulation that integrated control of thermal storage can have a pivotal role in optimizing system performance well beyond the present expectations. Environmental impact analysis and reporting of all energy systems including CHPV LES presently employ a static annual average carbon emissions intensity for grid supplied electricity. This paper focuses on establishing and validating CHPV environmental performance against conventional emissions values and assessment benchmarks to analyze emissions performance without and with an active thermal store in a notional group of non-domestic buildings. Results of this analysis are presented and discussed in context of performance validation and quantifying the reduced environmental impact of CHPV systems with active energy storage in comparison with conventional LES designs.

Keywords: CHPV, thermal storage, control, dynamic simulation.

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Authors: Zhao Jing, Bai Yongqing, Shi Qiaofang, Zang Yang, Zhang Huaihao

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Advances in software technology enable the computational chemistry to be commonly applied in various research fields, especially in pedagogy. Thus, in order to expand and improve experimental instructions of computational chemistry for undergraduates, we designed an introductory experiment—research on acrylamide molecular structure and physicochemical properties. Initially, students construct molecular models of acrylamide and polyacrylamide in Gaussian and Materials Studio software respectively. Then, the infrared spectral data, atomic charge and molecular orbitals of acrylamide as well as solvation effect of polyacrylamide are calculated to predict their physicochemical performance. At last, rheological experiments are used to validate these predictions. Through the combination of molecular simulation (performed on Gaussian, Materials Studio) with experimental verification (rheology experiment), learners have deeply comprehended the chemical nature of acrylamide and polyacrylamide, achieving good learning outcomes.

Keywords: Upper-division undergraduate, computer-based learning, laboratory instruction, amides, molecular modeling, spectroscopy.

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Authors: Bao Jinsong, Hu Xiaofeng, Wang Wei, Yu Dili, Jin Ye

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The paper researched and presented a virtual simulation system based on a full-digital lunar terrain, integrated with kinematics and dynamics module as well as autonomous navigation simulation module. The system simulation models are established. Enabling technologies such as digital lunar surface module, kinematics and dynamics simulation, Autonomous navigation are investigated. A prototype system for lunar rover locomotion simulation is developed based on these technologies. Autonomous navigation is a key echnology in lunar rover system, but rarely involved in virtual simulation system. An autonomous navigation simulation module have been integrated in this prototype system, which was proved by the simulation results that the synthetic simulation and visualizing analysis system are established in the system, and the system can provide efficient support for research on the autonomous navigation of lunar rover.

Keywords: Lunar rover, virtual simulation, autonomous navigation, full-digital lunar terrain

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Authors: Dalila Hamami, Baghdad Atmani

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Modelling is a widely used tool to facilitate the evaluation of disease management. The interest of epidemiological models lies in their ability to explore hypothetical scenarios and provide decision makers with evidence to anticipate the consequences of disease incursion and impact of intervention strategies.

All models are, by nature, simplification of more complex systems. Models that involve diseases can be classified into different categories depending on how they treat the variability, time, space, and structure of the population. Approaches may be different from simple deterministic mathematical models, to complex stochastic simulations spatially explicit.

Thus, epidemiological modelling is now a necessity for epidemiological investigations, surveillance, testing hypotheses and generating follow-up activities necessary to perform complete and appropriate analysis.

The state of the art presented in the following, allows us to position itself to the most appropriate approaches in the epidemiological study.

Keywords: Bio-PEPA, Cellular automata, Epidemiological modelling, multi agent system, ordinary differential equations, PEPA, Process Algebra, Tuberculosis.

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Authors: A. El Amri, M. El Yakhloufi Haddou, A. Khamlichi

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The numerical simulation based on the Finite Element Method (FEM) is widely used in academic institutes and in the industry. It is a useful tool to predict many phenomena present in the classical manufacturing forming processes such as fracture. But, the results of such numerical model depend strongly on the parameters of the constitutive behavior model. The influences of thermal and mechanical loads cause damage. The temperature and strain rate dependent materials’ properties and their modelling are discussed. A Johnson-Cook Model of damage has been selected for the numerical simulations. Virtual software called the ABAQUS 6.11 is used for finite element analysis. This model was introduced in order to give information concerning crack initiation during thermal and mechanical loads.

Keywords: Thermomechanical fatigue, failure, numerical simulation, fracture, damages.

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Authors: Aldrin R. Logdat, Marianne Christine Jane B. Capio

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The study aimed to investigate the impact of modelling techniques on the self-efficacy of first year Bachelor of Science Major in Hospitality Management (BSHM) college students at City College of Calapan, Oriental Mindoro. The research utilized a ten-point general self-efficacy scale and collected responses from a sample of 107 students across five BSHM sections. The study found that the majority of students had a moderate level of self-efficacy, with 49.53% of total respondents falling within this category. However, 35.51% of students had high self-efficacy, and 14.95% had low self-efficacy levels. The two-tailed t-test for independent samples indicated a significant difference between the mean post-test scores of the experimental and control groups. Furthermore, Wilcoxon test showed that there were significant differences in the experimental group's self-efficacy before and after treatment, while no such difference was observed in the control group. Thus, the modelling technique proved to be effective in improving the self-efficacy levels of first year BSHM college students. Ultimately, the use of modelling techniques helped to elevate students’ self-efficacy levels into higher categories.

Keywords: Self-efficacy, counselling, modelling techniques, hospitality management.

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Authors: Anand B. Desamala, Anjali Dasari, Vinayak Vijayan, Bharath K. Goshika, Ashok K. Dasmahapatra, Tapas K. Mandal

Abstract:

In the present study, computational fluid dynamics (CFD) simulation has been executed to investigate the transition boundaries of different flow patterns for moderately viscous oil-water (viscosity ratio 107, density ratio 0.89 and interfacial tension of 0.032 N/m.) two-phase flow through a horizontal pipeline with internal diameter and length of 0.025 m and 7.16 m respectively. Volume of Fluid (VOF) approach including effect of surface tension has been employed to predict the flow pattern. Geometry and meshing of the present problem has been drawn using GAMBIT and ANSYS FLUENT has been used for simulation. A total of 47037 quadrilateral elements are chosen for the geometry of horizontal pipeline. The computation has been performed by assuming unsteady flow, immiscible liquid pair, constant liquid properties, co-axial flow and a T-junction as entry section. The simulation correctly predicts the transition boundaries of wavy stratified to stratified mixed flow. Other transition boundaries are yet to be simulated. Simulated data has been validated with our own experimental results.

Keywords: CFD simulation, flow pattern transition, moderately viscous oil-water flow, prediction of flow transition boundary, VOF technique.

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