Search results for: Monte-Carlo simulations

Authors: Sanwu Wang, Hongli Dang, Wenhua Xue, Darwin Shields, Xin Liu, Friederike C. Jentoft, Daniel E. Resasco

Abstract:

The bonding configuration and the heat of adsorption of a furfural molecule on the Pd(111) surface were determined by ab initio density-functional-theory calculations. The dynamics of pure liquid water, the liquid-solid interface formed by liquid water and the Pd(111) surface, as well as furfural at the water-Pd interface, were investigated by ab initio molecular dynamics simulations at finite temperatures. Calculations and simulations suggest that the bonding configurations at the water-Pd interface promote decarbonylation of furfural.

Keywords: Ab initio molecular dynamics simulations, bio-fuels, density functional theory, liquid-solid interfaces.

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Authors: Thomas Fiedler, Irina V. Belova, Graeme E. Murch

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Lattice Monte Carlo methods are an excellent choice for the simulation of non-linear thermal diffusion problems. In this paper, and for the first time, Lattice Monte Carlo analysis is performed on thermal diffusion combined with convective heat transfer. Laminar flow of water modeled as an incompressible fluid inside a copper pipe with a constant surface temperature is considered. For the simulation of thermal conduction, the temperature dependence of the thermal conductivity of the water is accounted for. Using the novel Lattice Monte Carlo approach, temperature distributions and energy fluxes are obtained.

Keywords: Coupled Analysis, Laminar Flow, Lattice MonteCarlo, Thermal Diffusion

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Authors: An-Shik Yang, Chih-Yung Wen, Chiang-Ho Cheng, Yu-Hsuan Juan

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The objective of this study is to conduct computational fluid dynamic (CFD) simulations for evaluating the cooling efficacy from vegetation implanted in a public park in the Taipei, Taiwan. To probe the impacts of park renewal by means of adding three pavilions and supplementary green areas on urban microclimates, the simulated results have revealed that the park having a higher percentage of green coverage ratio (GCR) tended to experience a better cooling effect. These findings can be used to explore the effects of different greening modifications on urban environments for achieving an effective thermal comfort in urban public spaces.

Keywords: CFD simulations, green coverage ratio, urban heat island, urban public park.

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Authors: Shoji Katagiri

Abstract:

This paper is to clarify the relationship between ICT and income inequality. To do so, we develop the general equilibrium model with ICT investment, obtain the equilibrium solutions, and then simulate the model with these solutions for some OECD countries. As a result, generally, during the corresponding periods we confirm that the relationship between ICT investment and income inequality is positive. In this mode, the increment of the ratio of ICT investment to the aggregated investment in stock enhances the capital’s share of income, and finally leads to income inequality such as the increase of the share of the top decile income. Although we confirm the positive relationship between ICT investment and income inequality, the upward trend for that relationship depends on the values of parameters for the making use of the simulations and these parameters are not deterministic in the magnitudes on the calculated results for the simulations.

Keywords: ICT, inequality, capital accumulation, technology.

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Authors: An-Shik Yang, Chiang-Ho Cheng, Jen-Hao Wu, Yu-Hsuan Juan

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Natural ventilation has played an important role for many low energy-building designs. It has been also noticed as a essential subject to persistently bring the fresh cool air from the outside into a building. This study carried out the computational fluid dynamics (CFD)-based simulations to examine the natural ventilation development of a work area in a public building. The simulated results can be useful to better understand the indoor microclimate and the interaction of wind with buildings. Besides, this CFD simulation procedure can serve as an effective analysis tool to characterize the airing performance, and thereby optimize the building ventilation for strengthening the architects, planners and other decision makers on improving the natural ventilation design of public buildings.

Keywords: CFD simulations, Natural ventilation, Microclimate, Wind environment.

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Authors: Kasthurirangan Gopalakrishnan, Naga Shashidhar, Xiaoxiong Zhong

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During the process of compaction in Hot-Mix Asphalt (HMA) mixtures, the distance between aggregate particles decreases as they come together and eliminate air-voids. By measuring the inter-particle distances in a cut-section of a HMA sample the degree of compaction can be estimated. For this, a calibration curve is generated by computer simulation technique when the gradation and asphalt content of the HMA mixture are known. A two-dimensional cross section of HMA specimen was simulated using the mixture design information (gradation, asphalt content and air-void content). Nearest neighbor distance methods such as Delaunay triangulation were used to study the changes in inter-particle distance and area distribution during the process of compaction in HMA. Such computer simulations would enable making several hundreds of repetitions in a short period of time without the necessity to compact and analyze laboratory specimens in order to obtain good statistics on the parameters defined. The distributions for the statistical parameters based on computer simulations showed similar trends as those of laboratory specimens.

Keywords: Computer simulations, Hot-Mix Asphalt (HMA), inter-particle distance, image analysis, nearest neighbor

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Authors: Mohammad Najafi, Hossein Roghani-Mamaqani, Mehdi Salami-Kalajahi, Vahid Haddadi-Asl

Abstract:

A high-performance Monte Carlo simulation, which simultaneously takes diffusion-controlled and chain-length-dependent bimolecular termination reactions into account, is developed to simulate atom transfer radical copolymerization of styrene and nbutyl acrylate. As expected, increasing initial feed fraction of styrene raises the fraction of styrene-styrene dyads (fAA) and reduces that of n-butyl acrylate dyads (fBB). The trend of variation in randomness parameter (fAB) during the copolymerization also varies significantly. Also, there is a drift in copolymer heterogeneity and the highest drift occurs in the initial feeds containing lower percentages of styrene, i.e. 20% and 5%.

Keywords: Atom Transfer Radical Copolymerization, MonteCarlo Simulation, Copolymer Heterogeneity, Styrene n-ButylAcrylate

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Authors: C. Copilusi, C. Ploscaru

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This paper addresses attention to a research regarding the design of a knee orthosis in a modular form used on children walking rehabilitation. This research is focused on the human lower limb kinematic analysis which will be used as input data on virtual simulations and prototype validation. From this analysis, important data will be obtained and used as input for virtual simulations of the knee modular orthosis. Thus, a knee orthosis concept was obtained and validated through virtual simulations by using MSC Adams software. Based on the obtained results, the modular orthosis prototype will be manufactured and presented in this article.

Keywords: Human lower limb, children orthoses, kinematic analysis, knee orthosis.

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Authors: Sara Soltanpour, Adolfo Foriero

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Frost heave is arguably the most problematic adverse phenomenon in cold region areas. It is a complex process that depends on heat and water transfer. The coupled physical fields generate considerable heave stresses as well as deformations. In the present study, a coupled Thermal-Hydraulic-Mechanical (THM) model using COMSOL Multiphysics in frozen unsaturated soils, such as fine sand, is investigated. Particular attention to the frost heave and temperature distribution, as well as the water migrating during soil freezing, is assessed. The results obtained from the numerical simulations are consistent with the results measured in the full-scale tests conducted by Cold Regions Research and Engineering Laboratory (CRREL).

Keywords: Frost heave, numerical simulations, COMSOL software, unsaturated freezing soil.

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Authors: Pablo Enrique Sartor Del Giudice

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Penalty shootouts often decide the outcome of important soccer matches. Although usually referred to as ”lotteries”, there is evidence that some national teams and clubs consistently perform better than others. The outcomes are therefore not explained just by mere luck, and therefore there are ways to improve the average performance of players, naturally at the expense of some sort of effort. In this article we study the payoff of player performance improvements in terms of the performance of the team as a whole. To do so we develop an analytical model with static individual performances, as well as Monte Carlo models that take into account the known influence of partial score and round number on individual performances. We find that within a range of usual values, the team performance improves above 70% faster than individual performances do. Using these models, we also estimate that the new ABBA penalty shootout ordering under test reduces almost all the known bias in favor of the first-shooting team under the current ABAB system.

Keywords: Football, penalty shootouts, Montecarlo simulation, ABBA.

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Authors: Susan J. Simmons, Fang Fang, Qijun Fang, Karl Ricanek

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Quantitative trait loci (QTL) experiments have yielded important biological and biochemical information necessary for understanding the relationship between genetic markers and quantitative traits. For many years, most QTL algorithms only allowed one observation per genotype. Recently, there has been an increasing demand for QTL algorithms that can accommodate more than one observation per genotypic distribution. The Bayesian hierarchical model is very flexible and can easily incorporate this information into the model. Herein a methodology is presented that uses a Bayesian hierarchical model to capture the complexity of the data. Furthermore, the Markov chain Monte Carlo model composition (MC3) algorithm is used to search and identify important markers. An extensive simulation study illustrates that the method captures the true QTL, even under nonnormal noise and up to 6 QTL.

Keywords: Bayesian hierarchical model, Markov chain MonteCarlo model composition, quantitative trait loci.

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Authors: Tomoaki Hashimoto

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Model predictive control is a kind of optimal feedback control in which control performance over a finite future is optimized with a performance index that has a moving initial time and a moving terminal time. This paper examines the stability of model predictive control for linear discrete-time systems with additive stochastic disturbances. A sufficient condition for the stability of the closed-loop system with model predictive control is derived by means of a linear matrix inequality. The objective of this paper is to show the results of computational simulations in order to verify the effectiveness of the obtained stability condition.

Keywords: Computational simulations, optimal control, predictive control, stochastic systems, discrete-time systems.

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Authors: Buntara Sthenly Gan, Naohiro Kawada

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A simple and easy algorithm is presented for a fast calculation of kernel functions which required in fluid simulations using the Smoothed Particle Hydrodynamic (SPH) method. Present proposed algorithm improves the Linked-list algorithm and adopts the Pair-Wise Interaction technique, which are widely used for evaluating kernel functions in fluid simulations using the SPH method. The algorithm is easy to be implemented without any complexities in programming. Some benchmark examples are used to show the simulation time saved by using the proposed algorithm. Parametric studies on the number of divisions for sub-domains, smoothing length and total amount of particles are conducted to show the effectiveness of the present technique. A compact formulation is proposed for practical usage.

Keywords: Technique, fluid simulation, smoothing particle hydrodynamic (SPH), particle interaction.

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Authors: Mohammed Bilal

Abstract:

The precise prediction of aerodynamic behavior is necessary for the design and optimization of airfoils for a variety of applications. Turbulence, a phenomenon of complex and irregular flow, significantly affects the aerodynamic properties of airfoils. Therefore, turbulence modeling is essential for accurately predicting the behavior of airfoils in simulations. This study investigates five commonly employed turbulence models: Spalart-Allmaras (SA) model, k-epsilon model, k-omega model, Reynolds Stress Model (RSM), and Large Eddy Simulation (LES) model. The paper includes a comparison of the models' precision, computational expense, and applicability to various flow conditions. The strengths and weaknesses of each model are highlighted, allowing researchers and engineers to make informed decisions regarding simulations of specific airfoils. Unquestionably, the continuous development of turbulence modeling will contribute to further improvements in airfoil design and optimization, which will be advantageous to numerous industries.

Keywords: Computational fluid dynamics, airfoil, turbulence, aircraft.

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Authors: A. Ruimi, S. Goyal, B. M. Nour

Abstract:

Interactive web-based computer simulations are needed by the medical community to replicate the experience of surgical procedures as closely and realistically as possible without the need to practice on corpses, animals and/or plastic models. In this paper, we offer a review on current state of the research on simulations of surgical threads, identify future needs and present our proposed plans to meet them. Our goal is to create a physics-based simulator, which will predict the behavior of surgical thread when subjected to conditions commonly encountered during surgery. To that end, we will i) develop three dimensional finite element models based on the Cosserat theory of elasticity ii) test and feedback results with the medical community and iii) develop a web-based user interface to run/command our simulator and visualize the results. The impacts of our research are that i) it will contribute to the development of a new generation of training for medical school students and ii) the simulator will be useful to expert surgeons in developing new, better and less risky procedures.

Keywords: Cosserat rod-theory, FEM simulations, Modeling, Surgical thread.

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Authors: C.Kia, M.R.Arshad, A.H.Adom, P.A.Wilson

Abstract:

This paper presents recent work on the improvement of the robotics vision based control strategy for underwater pipeline tracking system. The study focuses on developing image processing algorithms and a fuzzy inference system for the analysis of the terrain. The main goal is to implement the supervisory fuzzy learning control technique to reduce the errors on navigation decision due to the pipeline occlusion problem. The system developed is capable of interpreting underwater images containing occluded pipeline, seabed and other unwanted noise. The algorithm proposed in previous work does not explore the cooperation between fuzzy controllers, knowledge and learnt data to improve the outputs for underwater pipeline tracking. Computer simulations and prototype simulations demonstrate the effectiveness of this approach. The system accuracy level has also been discussed.

Keywords: Fuzzy logic, Underwater target tracking, Autonomous underwater vehicles, Artificial intelligence, Simulations, Robot navigation, Vision system.

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Authors: John B. McQuillen, David F. Chao, Nancy R. Hall, Brian J. Motil, Nengli Zhang

Abstract:

Future space vehicles will require the use of non-toxic, cryogenic propellants, because of the performance advantages over the toxic hypergolic propellants and also because of the environmental and handling concerns. A prototypical capillary flow liquid acquisition device (LAD) for cryogenic propellants was fabricated with a mesh screen, covering a rectangular flow channel with a cylindrical outlet tube, and was tested with liquid oxygen (LOX). In order to better understand the performance in various gravity environments and orientations with different submersion depths of the LAD, a series of computational fluid dynamics (CFD) simulations of LOX flow through the LAD screen channel, including horizontally and vertically submersions of the LAD channel assembly at normal gravity environment was conducted. Gravity effects on the flow field in LAD channel are inspected and analyzed through comparing the simulations.

Keywords: Liquid acquisition device, cryogenic propellants, CFD simulation, vertically submerged screen channel, gravity effects.

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Authors: Shabnam Ladan, M. S. Abrishamian

Abstract:

In this paper we have developed a FDTD simulation code which can treat wave propagation of a monopole antenna in a metallic case which covers with PML, and performed a series of three dimensional FDTD simulations of electromagnetic wave propagation in this space .We also provide a measurement set up in antenna lab and fortunately the simulations and measurements show good agreement. According to simulation and measurement results, we confirmed that the computer program which had been written in FORTRAN, works correctly.

Keywords: FDTD, EMC, monopole antenna.

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Authors: L. Nguyen, V. Golubev, R. Mankbadi

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We consider here the subsonic impinging jet representing the flow field of a vertical take-off aircraft or the initial stage of rocket launching. Implicit Large-Eddy Simulation (ILES) is used to calculate the time-dependent flow field and the radiate sound pressure associated with jet impinging. With proper boundary treatments and high-order numerical scheme, the near field sound pressure is successfully obtained. Results are presented for both a rectangular as well a circular jet.

Keywords: Aeroacoustics, Large-Eddy Simulations, Jets, Fluid Dynamics.

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Authors: J. Georgiou, K. Dimitropoulos, A. Manitsaris

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Simulations play a major role in education not only because they provide realistic models with which students can interact to acquire real world experiences, but also because they constitute safe environments in which students can repeat processes without any risk in order to perceive easier concepts and theories. Virtual reality is widely recognized as a significant technological advance that can facilitate learning process through the development of highly realistic 3D simulations supporting immersive and interactive features. The objective of this paper is to analyze the influence of virtual reality-s use in chemistry instruction as well as to present an integrated web-based learning environment for the simulation of chemical experiments. The proposed application constitutes a cost-effective solution for both schools and universities without appropriate infrastructure and a valuable tool for distance learning and life-long education in chemistry. Its educational objectives are the familiarization of students with the equipment of a real chemical laboratory and the execution of virtual volumetric analysis experiments with the active participation of students.

Keywords: Chemistry, simulations, experiments, virtual reality.

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Authors: Anish H. Gandhi, Harit K. Raval

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Carbon steel is used in boilers, pressure vessels, heat exchangers, piping, structural elements and other moderatetemperature service systems in which good strength and ductility are desired. ASME Boiler and Pressure Vessel Code, Section II Part A (2004) provides specifications of ferrous materials for construction of pressure equipment, covering wide range of mechanical properties including high strength materials for power plants application. However, increased level of springback is one of the major problems in fabricating components of high strength steel using bending. Presented work discuss the springback simulations for five different steels (i.e. SA-36, SA-299, SA-515 grade 70, SA-612 and SA-724 grade B) using finite element analysis of air V-bending. Analytical springback simulations of hypothetical layered materials are presented. Result shows that; (i) combination of the material property parameters controls the springback, (ii) layer of the high ductility steel on the high strength steel greatly suppresses the springback.

Keywords: Carbon steel, Finite element analysis, Layeredmaterial, Springback

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Authors: M. Abdulkadir, V. Hernandez-Perez

Abstract:

The characteristics of fluid flow and phase separation in an oil-water separator were numerically analysed as part of the work presented herein. Simulations were performed for different velocities and droplet diameters, and the way this parameters can influence the separator geometry was studied. The simulations were carried out using the software package Fluent 6.2, which is designed for numerical simulation of fluid flow and mass transfer. The model consisted of a cylindrical horizontal separator. A tetrahedral mesh was employed in the computational domain. The condition of two-phase flow was simulated with the two-fluid model, taking into consideration turbulence effects using the k-ε model. The results showed that there is a strong dependency of phase separation on mixture velocity and droplet diameter. An increase in mixture velocity will bring about a slow down in phase separation and as a consequence will require a weir of greater height. An increase in droplet diameter will produce a better phase separation. The simulations are in agreement with results reported in literature and show that CFD can be a useful tool in studying a horizontal oilwater separator.

Keywords: CFD, droplet diameter, mixture velocity

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Authors: C. Recommandé, J.C. Blind, A. Clavel, R. Gourichon, V. Le Gal

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Simulations are developed in this paper with usual DSGE model equations. The model is based on simplified version of Smets-Wouters equations in use at European Central Bank which implies 10 macro-economic variables: consumption, investment, wages, inflation, capital stock, interest rates, production, capital accumulation, labour and credit rate, and allows take into consideration the banking system. Throughout the simulations, this model will be used to evaluate the impact of rate shocks recounting the actions of the European Central Bank during 2008.

Keywords: CC-LM, Central Bank, DSGE, Liquidity Shock, Non-standard Intervention.

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Authors: Thomas M. Prinz Wilhelm R. Rossak, Kai Gebhardt

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A straightforward and intuitive combination of single simulations into an aggregated master-simulation is not trivial. There are lots of problems, which trigger-specific difficulties during the modeling and execution of such a simulation. In this paper we identify these problems and aim to solve them by mapping the task to the field of multi agent systems. The solution is a new meta-model named AGENTMAP, which is able to mitigate most of the problems and to support intuitive modeling at the same time. This meta-model will be introduced and explained on basis of an example from the e-commerce domain.

Keywords: Multi Agent System, Agent-based Simulation, Distributed Systems, Meta-models.

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Authors: Odón R. Sánchez-Ccoyllo, Elizabeth Ayma-Choque, Alan Llacza

Abstract:

Sulphur dioxide (SO₂) and surface-ozone (O₃) concentrations are associated with diseases. The objective of this research is to evaluate the effectiveness of the air-quality Weather Research and Forecasting model coupled to Chemistry (WRF-Chem) model with a horizontal resolution of 5 km x 5 km. For this purpose, the measurements of the hourly SO₂ and O₃ concentrations available in three air quality monitoring stations in Lima, Peru were used for the purpose of validating the simulations of the SO₂ and O₃ concentrations obtained with the WRF-Chem model in February 2018. For the quantitative evaluation of the simulations of these gases, statistical techniques were implemented, such as the average of the simulations; the average of the measurements; the Mean Bias (MeB); the Mean Error (MeE); and the Root Mean Square Error (RMSE). The results of these statistical metrics indicated that the simulated SO₂ and O₃ values over-predicted the SO₂ and O₃ measurements. For the SO₂ concentration, the MeB values varied from 0.58 to 26.35 µg/m³; the MeE values varied from 8.75 to 26.5 µg/m³; the RMSE values varied from 13.3 to 31.79 µg/m³; while for O₃ concentrations the statistical values of the MeB varied from 37.52 to 56.29 µg/m³; the MeE values varied from 37.54 to 56.70 µg/m³; the RMSE values varied from 43.05 to 69.56 µg/m³.

Keywords: Ground-ozone, Lima, Sulphur dioxide, WRF-Chem.

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Authors: Wenyu Song, Bingxi Li, Zhongbin Fu, Baocheng Jiang

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Full - Scale Accelerated Loading System, one part of “the Eleventh - Five - Year National Grand Technology Infrastructure Program" is a facility to evaluate the performance and service life of different kinds of pavements subjected to traffic loading under full - controlled environment. While simulating the environments of frigid zone and permafrost zone, the accurate control of air temperature, road temperature and roadbed temperature are the key points and also aporias for the designment. In this paper, numerical simulations are used to determine the design parameters of the frozen soil simulation system. At first, a brief introduction of the Full - Scale Accelerate Loading System was given. Then, the temperature control method of frozen soil simulation system was proposed. Finally, by using finite element simulations, the optimal design of frozen soil simulation system was obtained. This proposed design, which was obtained by finite element simulations, provided significant referents to the ultimate design of the environment simulation system.

Keywords: China, finite element simulation, frozen soilsimulation system, preliminary design.

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Authors: Sajith Sajeev, Brenton McLaury, Siamack Shirazi

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In the petroleum industry, solid particles are often present along with the produced fluids. It is imperative to keep particles from accumulating in flow lines. In this study, various experiments are conducted to study sand particle transport, where critical velocity is defined as the average fluid velocity to keep particles continuously moving. Many parameters related to the fluid, particles and pipe affect the transport process. Experimental results are presented varying the particle concentration. Additionally, CFD simulations using a discrete element modeling (DEM) approach are presented to compare with experimental result.

Keywords: Particle transport, critical velocity, CFD, DEM.

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Authors: Mustafa Bin Yusof, Mohammad Amirul Affiz Bin Afripin

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Safety of bus journey is a fundamental concern. Risk of injuries and fatalities is severe when bus superstructure fails during rollover accident. Adequate design and sufficient strength of bus superstructure can reduce the number of injuries and fatalities. This paper deals with structural analysis of bus superstructure undergoes rollover event. Several value of mass will be varied in multiple simulations. The purpose of this work is to analyze structural response of bus superstructure in terms of deformation, stress and strain under several loading and constraining conditions. A complete bus superstructure with forty four passenger-s capability was developed using finite element analysis software. Simulations have been conducted to observe the effect of total mass of bus on the strength of superstructure. These simulations are following United Nation Economic Commission of Europe regulation 66 which focuses on strength of large vehicle superstructure. Validation process had been done using simple box model experiment and results obtained are comparing with simulation results. Inputs data from validation process had been used in full scale simulation. Analyses suggested that, the failure of bus superstructure during rollover situation is basically dependent on the total mass of bus and on the strength of bus superstructure.

Keywords: Bus, rollover, superstructure strength, UNECE regulation 66.

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Authors: Mohamed H. Elhsnawi, Mesbah M. Salem, Saleh B. Mohamed

Abstract:

Numerical simulation performed to investigate the behavior of the high pressure hydrogen jetting of air. High pressure hydrogen (30–40 MPa) was injected to air at atmospheric pressure through 2mm orifice. Numerical simulations were performed with Kiva3V code with 2D axisymmetric geometry. Numerical simulations showed that auto ignition of high pressure hydrogen to air are possible due to molecular diffusion. Auto ignition was predicted at hydrogen-air contact surface due to mass and energy exchange between high temperature hydrogen and air heated by shock wave.

Keywords: Spontaneous Ignition, Diffusion Ignition, Hydrogen ignition, Hydrogen Jet.

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Authors: Petter Eklund, Jonathan Sjölund, Sandra Eriksson, Mats Leijon

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The spoke type rotor can be used to obtain magnetic flux concentration in permanent magnet machines. This allows the air gap magnetic flux density to exceed the remanent flux density of the permanent magnets but gives problems with leakage fluxes in the magnetic circuit. The end leakage flux of one spoke type permanent magnet rotor design is studied through measurements and finite element simulations. The measurements are performed in the end regions of a 12 kW prototype generator for a vertical axis wind turbine. The simulations are made using three dimensional finite elements to calculate the magnetic field distribution in the end regions of the machine. Also two dimensional finite element simulations are performed and the impact of the two dimensional approximation is studied. It is found that the magnetic leakage flux in the end regions of the machine is equal to about 20% of the flux in the permanent magnets. The overestimation of the performance by the two dimensional approximation is quantified and a curve-fitted expression for its behavior is suggested.

Keywords: End effects, end leakage flux, permanent magnet machine, spoke type rotor.

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