Search results for: system dynamics modelling

Authors: Khaleed Alsufyyan

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This doctoral research has been successfully approved by a specialist upgrade panel, and it presents the proposition that the KSA policy for combating maritime terrorism is inadequate and current governance frameworks, including laws, are insufficiently developed to respond effectively and fairly to maritime terrorism. It will examine the legal system in the KSA in terms of effectiveness fairness, as well as investigate this proposition to determine what factors have contributed to such a deficiency. The main focus of this research will draw upon the policies, laws, and practices of the KSA, as well as UK and international laws and policies, to assess whether it is feasible to apply them in the context of the KSA. This thesis will recommend strategies regarding maritime terrorism to enrich the legal and policy frameworks and address the current and future dynamics of maritime terrorism adequately. To derive suitable improvements, UK policies, laws, and practices will be considered for policy transfer purposes. As for studies focused on the KSA, since the KSA is a Muslim state, it will be important to assess the impact of Islamic Law or Sharia Law subject to the doctrines of fairness and effectiveness to comprehend how the KSA’s legal system operates and determine the boundaries it sets for the response to maritime terrorism. This thesis will propose that more reforms are needed to effectively and fairly deal with maritime terrorism based on the prevailing understanding of Sharia law. The research will address the international perspectives on the problem of maritime terrorism and international cooperation of the KSA regarding maritime terrorism and consider the need for further developments.

Keywords: maritime terrorism, maritime security, combat maritime terrorism in the KSA, protecting maritime transport against terrorism

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Authors: Lablali Mohammed, Mes-Adi Hassan, Mazroui M’Hammed

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To tackle the complexity of grasping atomic-scale structures and unraveling the factors affecting the development of thin films. In our work, we perform the deposition of Nb atoms on Cu substrates using the molecular dynamics simulation combined with the embedded atom method to describe the interaction between different atoms. We investigated the impact of varying deposition rates and thermal annealing processes on the microstructural, morphological, and mechanical characteristics of the deposited Nb film. Our findings reveal that Nb atom growth on the Cu substrate occurs in island mode, accompanied by the presence of nucleation phenomena during growth. On the other hand, mixing behavior was observed at the interface between the film and the substrate, where Nb penetration is initially limited to the first Cu layer, whereas Cu atoms diffuse until reaching the third layer in the Nb film. Furthermore, Nb exhibits a BCC structure, with a significant concentration observed at a rate of 5 atoms/ps, and annealing further amplifies these percentages. Deposition at different rates leads to distinct levels of compressive normal and biaxial stress.

Keywords: molecular dynamics, Nb thin film, structure and morphology, atomic penetration

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Authors: Allen Yushark Fosu, Ndue Kanari, James Vaughan, Alexandre Changes

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Spodumene is a lithium-bearing mineral of great interest due to increasing demand of lithium in emerging electric and hybrid vehicles. The conventional method of processing the mineral for the metal requires inevitable thermal transformation of α-phase to the β-phase followed by roasting with suitable reagents to produce lithium salts for downstream processes. The selection of appropriate reagent for roasting is key for the success of the process and overall lithium recovery. Several researches have been conducted to identify good reagents for the process efficiency, leading to sulfation, alkaline, chlorination, fluorination, and carbonizing as the methods of lithium recovery from the mineral.HSC Chemistry is a thermochemical software that can be used to model metallurgical process feasibility and predict possible reaction products prior to experimental investigation. The software was employed to investigate and explain the various reagent characteristics as employed in literature during spodumene roasting up to 1200°C. The simulation indicated that all used reagents for sulfation and alkaline were feasible in the direction of lithium salt production. Chlorination was only feasible when Cl2 and CaCl2 were used as chlorination agents but not NaCl nor KCl. Depending on the kind of lithium salt formed during carbonizing and fluorination, the process was either spontaneous or nonspontaneous throughout the temperature range investigated. The HSC software was further used to simulate and predict some promising reagents which may be equally good for roasting the mineral for efficient lithium extraction but have not yet been considered by researchers.

Keywords: thermochemical modelling, HSC chemistry software, lithium, spodumene, roasting

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Authors: Ahmed Bensreti, Mohamed Gouarsha

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This paper presents a review of the pressure surge simulations carried out for Phase III of the Man Made River project in Libya with particular emphasis on the transient generated by simultaneous pump trips at Al Gardabiya Pump Station. The omission of the surge vessel check valve and bypass system on the grounds of cost, ease of design, and construction will result in, as expected, increased surge fluctuations as the damping effect in the form was removed. From the hydraulic and control requirements, it is recommended for Al Gardabiya Pump station that the check valve and check valve bypass be included in the final surge vessel design.

Keywords: computational fluid dynamics, surge vessel design, transient surge analysis, water pipe hydraulics

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Authors: Xie Kai, Laith K. Abbas, Chen Dongyang, Yang Fufeng, Rui Xiaoting

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Effect of plunging motion on the pitch oscillating NACA0012 airfoil is investigated using computational fluid dynamics (CFD). A simulation model based on overset grid technology and k - ω shear stress transport (SST) turbulence model is established, and the numerical simulation results are compared with available experimental data and other simulations. Two cases of phase angle φ = 0, μ which represents the phase difference between the pitching and plunging motions of an airfoil are performed. Airfoil vortex generation, moving, and shedding are discussed in detail. Good agreements have been achieved with the available literature. The upward plunging motion made the equivalent angle of attack less than the actual one during pitching analysis. It is observed that the formation of the stall vortex is suppressed, resulting in a decrease in the lift coefficient and a delay of the stall angle. However, the downward plunging motion made the equivalent angle of attack higher the actual one.

Keywords: dynamic stall, pitching-plunging, computational fluid dynamics, helicopter blade rotor, airfoil

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Authors: Ebuwa Osagie, Vasilije Manovic

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Exergy analysis provides the identification of the location, sources of thermodynamic inefficiencies, and magnitude in a thermal system. Thus, both the qualitative and quantitative assessment can be evaluated with exergy, unlike energy which is based on quantitative assessment only. The main purpose of exergy analysis is to identify where exergy is destroyed. Thus, reduction of the exergy destruction and losses associated with the capture plant systems can improve work potential. Furthermore, thermodynamic analysis of different configurations of the process helps to identify opportunities for reducing the steam requirements for each of the configurations. This paper presents steady-state simulation and exergy analysis of the 2-amino-2-methyl-1-propanol (AMP)-based post-combustion capture (PCC) plant. Exergy analysis performed for the AMP-based plant and the different configurations revealed that the rich split with intercooling configuration gave the highest exergy efficiency of 73.6%, while that of the intercooling and the reference AMP-based plant were 57.3% and 55.8% respectively.

Keywords: 2-amino-2-methyl-1-propanol, modelling, and simulation, post-combustion capture plant, exergy analysis, flowsheeting configurations

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Authors: Lakhoua Najeh

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Aims of the work: After a presentation of the functionality of an example of a mechatronic system which is a paint mixer system, we present the concepts of modeling and safe operation. This paper briefly discusses how to model and protect the functioning of a mechatronic system relying mainly on functional analysis and safe operation techniques. Methods: For the study of an example of a mechatronic system, we use methods for external functional analysis that illustrate the relationships between a mechatronic system and its external environment. Thus, we present the Safe-Structured Analysis Design Technique method (Safe-SADT) which allows the representation of a mechatronic system. A model of operating safety and automation is proposed. This model enables us to use a functional analysis technique of the mechatronic system based on the GRAFCET (Graphe Fonctionnel de Commande des Etapes et Transitions: Step Transition Function Chart) method; study of the safe operation of the mechatronic system based on the Safe-SADT method; automation of the mechatronic system based on a software tool. Results: The expected results are to propose a model and safe operation of a mechatronic system. This methodology enables us to analyze the relevance of the different models based on Safe-SADT and GRAFCET in relation to the control and monitoring functions and to study the means allowing exploiting their synergy. Conclusion: In order to propose a general model of a mechatronic system, a model of analysis, safety operation and automation of a mechatronic system has been developed. This is how we propose to validate this methodology through a case study of a paint mixer system.

Keywords: mechatronic systems, system modeling, safe operation, Safe-SADT

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Authors: A. Hossein Madadi-Najafabadi, Masoud Nasiri

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The discrete element method is a powerful technique for numerical modeling the flow of granular materials such as direct reduced iron. It would enable us to study processes and equipment related to the production and handling of the material. However, the characteristics and properties of the granules have to be adjusted precisely to achieve reliable results in a DEM simulation. The main properties for DEM simulation are size distribution, density, Young's modulus, Poisson's ratio and the contact coefficients of restitution, rolling friction and sliding friction. In the present paper, the mentioned properties are determined for DEM simulation of DRI pellets. A reliable DEM simulation would contribute to optimizing the handling system of DRIs in an iron-making plant. Among the mentioned properties, Young's modulus is the most important parameter, which is usually hard to get for particulate solids. Here, an especial method is utilized to precisely determine this parameter for DRI.

Keywords: discrete element method, direct reduced iron, simulation parameters, granular material

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Authors: Shubham Jaiswal

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In the present article, a drive is taken to compute the solution of spatial fractional order advection-dispersion equation having source/sink term with given initial and boundary conditions. The equation is converted to a system of ordinary differential equations using second-kind shifted Chebyshev polynomials, which have finally been solved using finite difference method. The striking feature of the article is the fast transportation of solute concentration as and when the system approaches fractional order from standard order for specified values of the parameters of the system.

Keywords: spatial fractional order advection-dispersion equation, second-kind shifted Chebyshev polynomial, collocation method, conservative system, non-conservative system

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Authors: Endrik Mifta Shaiful, Firman Riyudha

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Acquired Immunodeficiency Syndrome (AIDS) is one of the world's deadliest diseases caused by the Human Immunodeficiency Virus (HIV) that infects white blood cells and cause a decline in the immune system. AIDS quickly became a world epidemic disease that affects almost all countries. Therefore, mathematical modeling approach to the spread of HIV and AIDS is needed to anticipate the spread of HIV and AIDS which are widespread. The purpose of this study is to determine the parameter estimation on mathematical models of HIV transmission and AIDS using cumulative data of people with HIV and AIDS each year in Indonesia. In this model, there are parameters of r ∈ [0,1) which is the effectiveness of the treatment in patients with HIV. If the value of r is close to 1, the number of people with HIV and AIDS will decline toward zero. The estimation results indicate when the value of r is close to unity, there will be a significant decline in HIV patients, whereas in AIDS patients constantly decreases towards zero.

Keywords: HIV, AIDS, parameter estimation, mathematical models

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Authors: Umarov Jamshid, Ju-Su Kim, Hak-Jun Lee, Man-Kyo Han, Ryum-Duck Oh

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Recently, it becomes convenient to identify the location information of cargos by using GPS and wireless communication technologies. The development of IoT technologies and tracking system allows us to confirm site situation on an ad hoc basis in all the industries and social environments. Moreover, it allows us to apply IT technologies to a manageable extent. However, there have been many limitations for using the system due to the difficulty of identifying location information in real time and also due to the simple features. To globalize the logistics related tracking system, it is required to conduct a study to resolve the aforementioned problem. On that account, this paper designed and developed the IoT and RTLS based intelligent multi tracking agent system for more secure, accurate and reliable transportation in relation to logistics.

Keywords: GPS, tracking agent system, IoT, RTLS, Logistics

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Authors: Y. L. Hor, H. S. Chu, V. P. Bui

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Composite material is widely used to replace conventional material, especially in the aerospace industry to reduce the weight of the devices. It is formed by combining reinforced materials together via adhesive bonding to produce a bulk material with alternated macroscopic properties. In bulk composites, degradation may occur in microscopic scale, which is in each individual reinforced fiber layer or especially in its matrix layer such as delamination, inclusion, disbond, void, cracks, and porosity. In this paper, we focus on the detection of defect in matrix layer which the adhesion between the composite plies is in contact but coupled through a weak bond. In fact, the adhesive defects are tested through various nondestructive methods. Among them, pulsed phase thermography (PPT) has shown some advantages providing improved sensitivity, large-area coverage, and high-speed testing. The aim of this work is to develop an efficient numerical model to study the application of PPT to the nondestructive inspection of weak bonding in composite material. The resulting thermal evolution field is comprised of internal reflections between the interfaces of defects and the specimen, and the important key-features of the defects presented in the material can be obtained from the investigation of the thermal evolution of the field distribution. Computational simulation of such inspections has allowed the improvement of the techniques to apply in various inspections, such as materials with high thermal conductivity and more complex structures.

Keywords: pulsed phase thermography, weak bond, composite, CFRP, computational modelling, optimization

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Authors: Wu Xingchun, Chen Xi

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Nowadays, China's building energy consumption constitutes 25% of the total energy consumption, half of which was caused by air conditioning in both summer and winter. The ventilation system in Chinese traditional residence, which is totally passive and environmentally friendly, works effectively to create comfortable indoor environment. The research on the ventilation system in Chinese traditional residence can provide advancements to architecture design and energy savings to the society. Through field investigation, case analysis, strategy proposing and other methods, it comes out that the location and layout, the structure system and the design of atrium are the most important elements for a good ventilation system. Taking every factor into consideration, techniques are deployed extensively such as the organization of draught, the design of the thermal pressure ventilation system and the application of modern materials. With the enlightenment of the ventilation system in Chinese traditional residence, we can take effective measures to achieve low energy consumption and sustainable architecture.

Keywords: ventilation system, chinese traditional residence, energy consumption, sustainable architecture

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Authors: Ibrahim M. Elmojtaba, Rayan M. Altayeb

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Visceral leishmaniasis (VL) is a vector-borne disease caused by the protozoa parasite of the genus leishmania. The transmission of the parasite to humans and animals occurs via the bite of adult female sandflies previously infected by biting and sucking blood of an infectious humans or animals. In this paper we use a previously proposed model, and then applied two optimal controls, namely treatment and vaccination to that model to investigate optimal strategies for controlling the spread of the disease using treatment and vaccination as the system control variables. The possible impact of using combinations of the two controls, either one at a time or two at a time on the spread of the disease is also examined. Our results provide a framework for vaccination and treatment strategies to reduce susceptible and infection individuals of VL in five years.

Keywords: visceral leishmaniasis, treatment, vaccination, optimal control, numerical simulation

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Authors: István János Molnár

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Hungary has a legal system that is primarily based on statutory legislation, which means that statutes are the main source of law. However, in a surprising move, the Hungarian Parliament introduced a "limited" precedent system on 1 April 2020. This reform requires Hungarian courts to consider not only statutes but also the interpretation of those statutes in decisions made by the highest court in the country, the Curia. While judge-made customary law is not completely unfamiliar in Hungarian legal practice, the introduction of this new system presents several theoretical and practical challenges that may take time to resolve.

Keywords: civil procedure, hungary, judicial practice, precedent system, sources of law

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Authors: Adil Loya, Kamran Maqsood, Muhammad Duraid

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Aerodynamic stability coefficients are necessary to be known before any unmanned aircraft flight is performed. This requires expertise on aerodynamics and stability control of the aircraft. To enable efficacious performance of aircraft requires that a well-defined flight path and aerodynamics should be defined beforehand. This paper presents a study on the aerodynamics of an unmanned aero vehicle (UAV) during flight conditions. Current research holds comparative studies of different parameters for flight aerodynamic, measured using two different open source analytical software programs. These software packages are DATCOM and XLRF5, which help in depicting the flight aerodynamic variables. Computational fluid dynamics (CFD) was also used to perform aerodynamic analysis for which Star CCM+ was used. Output trends of the study demonstrate high accuracies between the two software programs with that of CFD. It can be seen that the Coefficient of Lift (CL) obtained from DATCOM and XFLR is similar to CL of CFD simulation. In the similar manner, other potential aerodynamic stability parameters obtained from analytical software are in good agreement with CFD.

Keywords: XFLR5, DATCOM, computational fluid dynamic, unmanned aero vehicle

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Authors: Adeniran Adetunji, Babalola M. Florence, Akande Ademola

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In this paper, we made an overview on the concept of adaptive e-Learning system, enumerates the elements of adaptive learning concepts e.g. A pedagogical framework, multiple learning strategies and pathways, continuous monitoring and feedback on student performance, statistical inference to reach final learning strategy that works for an individual learner by “mass-customization”. Briefly highlights the motivation of this new system proposed for effective learning teaching. E-Review literature on the concept of adaptive e-learning system and emphasises on the Item Response Calibration, which is an important approach to developing an adaptive e-Learning system. This paper write-up is concluded on the justification of item response calibration/estimation towards designing a successful and effective adaptive e-Learning system.

Keywords: adaptive e-learning system, pedagogical framework, item response, computer applications

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Authors: Vedat Coskun, Fahri Soylemezgiller, Busra Ozdenizci, Kerem Ok

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In recent years, several smart card solutions for transportation services of cities with different technical infrastructures and business models has emerged considerably, which triggers new business and technical opportunities. In order to create a unique system, we present a novel, promising system called Multifunctional City Smart Card System to be used in all cities that provides transportation and loyalty services based on the MasterCard M/Chip Advance standards. The proposed system provides a unique solution for transportation services of large cities over the world, aiming to answer all transportation needs of citizens. In this paper, development of the Multifunctional City Smart Card System and system requirements are briefly described. Moreover, performance analysis results of M/Chip Advance Compatible Validators which is the system's most important component are presented.

Keywords: smart card, m/chip advance standard, city transportation, performance analysis

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Authors: Riaz Ahmad, Jiazhong Zhang, Asma Farooqi

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In this study, mass transport between separation bubbles and the flow around a two-dimensional airfoil are numerically investigated using Lagrangian Coherent Structures (LCSs). Finite Time Lyapunov Exponent (FTLE) technique is used for the computation to identify invariant manifolds and LCSs. Moreover, the Characteristic Base Split (CBS) scheme combined with dual time stepping technique is applied to simulate such transient flow at low Reynolds number. We then investigate the evolution of vortex structures during the transport process with the aid of LCSs. To explore the vortex formation at the surface of the airfoil, the dynamics of separatrix is also taken into account which is formed by the combination of stable-unstable manifolds. The Lagrangian analysis gives a detailed understanding of vortex dynamics and separation bubbles which plays a significant role to explore the performance of the unsteady flow generated by the airfoil. Transport process and flow separation phenomena are studied extensively to analyze the flow pattern by Lagrangian point of view.

Keywords: transport phenomena, CBS Method, vortex formation, Lagrangian Coherent Structures

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Authors: Rui Sun, Tamer M. Ismail, Xiaohan Ren, M. Abd El-Salam

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Incineration of municipal solid waste (MSW) is one of the key scopes in the global clean energy strategy. A computational fluid dynamics (CFD) model was established. In order to reveal these features of the combustion process in a fixed porous bed of MSW. Transporting equations and process rate equations of the waste bed were modeled and set up to describe the incineration process, according to the local thermal conditions and waste property characters. Gas phase turbulence was modeled using k-ε turbulent model and the particle phase was modeled using the kinetic theory of granular flow. The heterogeneous reaction rates were determined using Arrhenius eddy dissipation and the Arrhenius-diffusion reaction rates. The effects of primary air flow rate and temperature in the burning process of simulated MSW are investigated experimentally and numerically. The simulation results in bed are accordant with experimental data well. The model provides detailed information on burning processes in the fixed bed, which is otherwise very difficult to obtain by conventional experimental techniques.

Keywords: computational fluid dynamics (CFD) model, waste incineration, municipal solid waste (MSW), fixed bed, primary air

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Authors: Evangelos G. Karvelas, Christos Liosis, Andreas Theodorakakos, Theodoros E. Karakasidis

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In the present work, a numerical method for the estimation of the appropriate gradient magnetic fields for optimum driving of the particles into the desired area inside the human body is presented. The proposed method combines Computational Fluid Dynamics (CFD), Discrete Element Method (DEM) and Covariance Matrix Adaptation (CMA) evolution strategy for the magnetic navigation of nanoparticles. It is based on an iteration procedure that intents to eliminate the deviation of the nanoparticles from a desired path. Hence, the gradient magnetic field is constantly adjusted in a suitable way so that the particles’ follow as close as possible to a desired trajectory. Using the proposed method, it is obvious that the diameter of particles is crucial parameter for an efficient navigation. In addition, increase of particles' diameter decreases their deviation from the desired path. Moreover, the navigation method can navigate nanoparticles into the desired areas with efficiency approximately 99%.

Keywords: computational fluid dynamics, CFD, covariance matrix adaptation evolution strategy, discrete element method, DEM, magnetic navigation, spherical particles

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Authors: Ravi Gujjula, Chinna Eranna, Narasimha Mangadoddy

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Hydrodynamic study of gas and solid flow in an internally circulating fluidized bed with draft tube is made in this paper using high speed camera and pressure probes for the laboratory ICFB test rig 3.0 m X 2.7 m column having a draft tube located in the center of ICFB. Experiments were conducted using different sized sand particles with varying particle size distribution. At each experimental run the standard pressure-flow curves for both draft tube and annular region beds measured and the same time downward particles velocity in the annular bed region were also measured. The effect of superficial gas velocity, static bed height (40, 50 & 60 cm) and the draft tube gap height (10.5 & 14.5 cm) on pressure drop profiles, solid circulation pattern, and gas bypassing dynamics for the ICFB investigated extensively. The mechanism of governing solid recirculation and the pressure losses in an ICFB has been eluded based on gas and solid dynamics obtained from the experimental data. 3D ICFB CFD simulation runs conducted and extracted data validated with ICFB experimental data.

Keywords: icfb, cfd, pressure drop, solids recirculation, bed height, draft tube

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Authors: Kawai Nobuaki

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This paper describes the design and implementation of web system for continuable and viable collaboration. This study proposes the improvement of the system based on a result of a certain practice. As contemporary higher education information environments transform, this study highlights the significance of university identity and college identity that are formed continuously through independent activities of the students. Based on these discussions, the present study proposes a practical media environment design which facilitates the processes of organizational identity formation based on a continuous and cyclical model. Even if users change by this system, the communication system continues operation and cooperation. The activity becomes the archive and produces new activity. Based on the result, this study elaborates a plan with a re-design by a system from the viewpoint of second-order cybernetics. Systems theory is a theoretical foundation for our study.

Keywords: collaborative work, learning management system, second-order cybernetics, systems theory, user generated contents, viable system model

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Authors: Nuruddeen Usman, Mohammad Sani

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The performance of project delivery methods has been an issue of concern to various stakeholders in the construction industry. The contracting system of project delivery is the traditional system used in the delivery of most public projects in Nigeria. The direct labor system is used most times as an alternative to the traditional system. There were so many complain about the performance of contracting system and the suitability of direct labor as an alternative to the delivery of public projects. Therefore, this paper is aimed at investigating the effect of project size on the project delivery methods in the completed public buildings. Questionnaires were self-administered to managerial staff in the study area and analyzed using descriptive statistics. The findings reveals that contracting system was choosing for large size building construction project delivery with higher frequency (F) of 40 (76.9%) against direct labor with 12 (23.1%). While the small size project, the result revealed a frequency (F) of 26 (50%) for contracting system and direct labor system respectively. Base on the research findings, the contracting system, was recommended for all sizes of building construction project delivery while direct labor system can only use as an alternative for small size building construction projects delivery.

Keywords: construction size, contracting system, direct labour, effect

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Authors: Yansong Zhang, Xueyuan Li, Junjie Zhou, Xufeng Yin, Shihua Yuan, Shuxian Liu

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Aiming at the verification of control algorithms for skid-steering vehicles, a vehicle simulation model of 6×6 electric skid-steering unmanned vehicle was established based on Trucksim and Simulink. The original transmission and steering mechanism of Trucksim are removed, and the electric skid-steering model and a closed-loop controller for the vehicle speed and yaw rate are built in Simulink. The simulation results are compared with the ones got by theoretical formulas. The results show that the predicted tire mechanics and vehicle kinematics of Trucksim-Simulink simulation model are closed to the theoretical results. Therefore, it can be used as an effective approach to study the dynamic performance and control algorithm of skid-steering vehicle. In this paper, a method of motion control based on feed forward control is also designed. The simulation results show that the feed forward control strategy can make the vehicle follow the target yaw rate more quickly and accurately, which makes the vehicle have more maneuverability.

Keywords: skid-steering, Trucksim-Simulink, feedforward control, dynamics

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Authors: Diego Luján Villarreal

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Retinal prosthetic devices aim to repair some vision in visual impairment patients by stimulating electrically neural cells in the visual system. In this study, the 3D linear electrode carrier is presented. A simulation framework was developed by placing the 3D carrier 1 mm away from the fovea center at the highest-density cell. Cell stimulation is verified in COMSOL Multiphysics by developing a 3D computational model which includes the relevant retinal interface elements and dynamics of the voltage-gated ionic channels. Current distribution resulting from low threshold amplitudes produces a small volume equivalent to the volume confined by individual cells at the highest-density cell using small-sized electrodes. Delicate retinal tissue is protected by excessive charge density

Keywords: retinal prosthetic devices, visual devices, retinal implants., visual prosthetic devices

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Authors: Mircea Ivanescu, Nirvana Popescu, Decebal Popescu, Dorin Popescu

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This paper addresses the control problem of a class of hyper-redundant arms. In order to avoid discrepancy between the mathematical model and the actual dynamics, the dynamic model with uncertain parameters of this class of manipulators is inferred. A procedure to design a feedback controller which stabilizes the uncertain system has been proposed. A PD boundary control algorithm is used in order to control the desired position of the manipulator. This controller is easy to implement from the point of view of measuring techniques and actuation. Numerical simulations verify the effectiveness of the presented methods. In order to verify the suitability of the control algorithm, a platform with a 3D flexible manipulator has been employed for testing. Experimental tests on this platform illustrate the applications of the techniques developed in the paper.

Keywords: distributed model, flexible manipulator, observer, robot control

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Authors: S. Altmeyer, B. Hof, F. Marques, J. M. Lopez

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We present numerical simulations concerning the reversal of spiraling vortices in short highly counter-rotating cylinders. Increasing the differential cylinder rotation results in global flow-inversion is which develops various different and complex flow dynamics of several quasi-periodic solutions that differ in their number of vortex cells in the bulk. The dynamics change from being dominated of the inner cylinder boundary layer with ’passive’ only responding outer one to be dominated by the outer cylinder boundary layer with only responding inner one. Solutions exist on either two or three tori invariant manifolds whereby they appear as symmetric or asymmetric states. We find for either moderate and high inner cylinder rotation speed the quasiperiodic flow to consist of only two vortex cells but differ as the vortices has opposite spiraling direction. These both flows live on 2-tori but differ in number of symmetries. While for the quasi-periodic flow (q^a_2) at lower rotation speed a pair of symmetrically related 2-tori T2 exists the quasi-periodic flow (q^s_2) at higher rotation speeds is symmetric living on a single 2-torus T2. In addition these both flows differ due to their dominant azimuthal m modes. The first is dominated by m=1 whereas for the latter m=3 contribution is largest. The 2-tori states are separated by a further quasi-periodic flow (q^a_3) living on pair of symmetrically related 3-tori T3. This flow offers a ’periodical’ competition between a two and three vortex cell states in the bulk. This flow is also an m=1 solution as for the quasiperiodic flows living on the pair of symmetrically-related 2-tori states. Moreover we find hysteresis resulting in coexisting regions of different quasiperiodic flows q^s_2 and q^a_3 with increasing and decreasing the differential rotation.

Keywords: transition, bifurcation, torus, symmetries

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Authors: Ali Isapour, Ramin Nateghi

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— Markov parameters are unique parameters of the system and remain unchanged under similarity transformations. Markov parameters from a power series that is convergent only if the system matrix’s eigenvalues are inside the unity circle. Therefore, Markov parameters of a stable discrete-time system are convergent. In this study, we aim to realize the system based on Markov parameters by using Artificial Neural Networks (ANN), and this end, we use Flexible Neural Networks. Realization means determining the elements of matrices A, B, C, and D.

Keywords: Markov parameters, realization, activation function, flexible neural network

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Authors: Sundaram Arulmozhiraja, Kanade Shimizu, Yuta Yamamoto, Satoshi Ichikawa, Maenaka Katsumi, Hiroaki Tokiwa

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Drug discovery is shifting from small molecule based drugs targeting local active site to middle molecules (MM) targeting large, flat, and groove-shaped binding sites, for example, protein-protein interface because at least half of all targets assumed to be involved in human disease have been classified as “difficult to drug” with traditional small molecules. Hence, MMs such as peptides, natural products, glycans, nucleic acids with various high potent bioactivities become important targets for drug discovery programs in the recent years as they could be used for ‘undruggable” intracellular targets. Cell membrane permeability is one of the key properties of pharmacodynamically active MM drug compounds and so evaluating this property for the potential MMs is crucial. Computational prediction for cell membrane permeability of molecules is very challenging; however, recent advancement in the molecular dynamics simulations help to solve this issue partially. It is expected that MMs with high membrane permeability will enable drug discovery research to expand its borders towards intracellular targets. Further to understand the chemistry behind the permeability of MMs, it is necessary to investigate their conformational changes during the permeation through membrane and for that their interactions with the membrane field should be studied reliably because these interactions involve various non-bonding interactions such as hydrogen bonding, -stacking, charge-transfer, polarization dispersion, and non-classical weak hydrogen bonding. Therefore, parameters-based classical mechanics calculations are hardly sufficient to investigate these interactions rather, quantum mechanical (QM) calculations are essential. Fragment molecular orbital (FMO) method could be used for such purpose as it performs ab initio QM calculations by dividing the system into fragments. The present work is aimed to study the cell permeability of middle molecules using molecular dynamics simulations and FMO-QM calculations. For this purpose, a natural compound syringolin and its analogues were considered in this study. Molecular simulations were performed using NAMD and Gromacs programs with CHARMM force field. FMO calculations were performed using the PAICS program at the correlated Resolution-of-Identity second-order Moller Plesset (RI-MP2) level with the cc-pVDZ basis set. The simulations clearly show that while syringolin could not permeate the membrane, its selected analogues go through the medium in nano second scale. These correlates well with the existing experimental evidences that these syringolin analogues are membrane-permeable compounds. Further analyses indicate that intramolecular -stacking interactions in the syringolin analogues influenced their permeability positively. These intramolecular interactions reduce the polarity of these analogues so that they could permeate the lipophilic cell membrane. Conclusively, the cell membrane permeability of various middle molecules with potent bioactivities is efficiently studied using molecular dynamics simulations. Insight of this behavior is thoroughly investigated using FMO-QM calculations. Results obtained in the present study indicate that non-bonding intramolecular interactions such as hydrogen-bonding and -stacking along with the conformational flexibility of MMs are essential for amicable membrane permeation. These results are interesting and are nice example for this theoretical calculation approach that could be used to study the permeability of other middle molecules. This work was supported by Japan Agency for Medical Research and Development (AMED) under Grant Number 18ae0101047.

Keywords: fragment molecular orbital theory, membrane permeability, middle molecules, molecular dynamics simulation

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