Search results for: molecular dynamic simulation.

Authors: Shamsuddin Ahmed, Francis Amagoh

Abstract:

This paper presents a case study that uses processoriented simulation to identify bottlenecks in the service delivery system in an emergency department of a hospital in the United Arab Emirates. Using results of the simulation, response surface models were developed to explain patient waiting time and the total time patients spend in the hospital system. Results of the study could be used as a service improvement tool to help hospital management in improving patient throughput and service quality in the hospital system.

Keywords: Simulation, Hospital Service, Resource Utilization, United Arab Emirates.

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Authors: Sidhartha Panda, N.P.Padhy

Abstract:

Wind power is among the most actively developing distributed generation (DG) technology. Majority of the wind power based DG technologies employ wind turbine induction generators (WTIG) instead of synchronous generators, for the technical advantages like: reduced size, increased robustness, lower cost, and increased electromechanical damping. However, dynamic changes of wind speed make the amount of active/reactive power injected/drawn to a WTIG embedded distribution network highly variable. This paper analyzes the effect of wind speed changes on the active and reactive power penetration to the wind energy embedded distribution network. Four types of wind speed changes namely; constant, linear change, gust change and random change of wind speed are considered in the analysis. The study is carried out by three-phase, non-linear, dynamic simulation of distribution system component models. Results obtained from the investigation are presented and discussed.

Keywords: Wind turbine induction generator, distribution network, active and reactive power, wind speed.

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Authors: E. Yosry, W. Fikry, A. El-henawy, M. Marzouk

Abstract:

This work offers a study of new simple compact model of dual-drain Magnetic Field Effect Transistor (MAGFET) including geometrical effects and biasing dependency. An explanation of the sensitivity is investigated, involving carrier deflection as the dominant operating principle. Finally, model verification with simulation results is introduced to ensure that acceptable error of 2% is achieved.

Keywords: MAGFET, Modeling, Simulation, Split-drain.

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Authors: Jonmichael A. Weaver, David A. Miller

Abstract:

Ultra High Molecular Weight Polyethylene (UHMWPE) presents several distinct advantages as a material with a high strength to weight ratio, durability, and neutron stability. Understanding the change in the mechanical performance of UHMWPE due to environmental exposure is key to safety for future applications. Dyneema® HB-210, a 15 µm diameter UHMWPE multi-filament fiber laid up in a polyurethane matrix in [0/ 90]2, with a thickness of 0.17 mm is compared to the same fiber and orientation system, HB-212, with a rubber-based matrix under UV aging conditions. UV aging tests according to ASTM-G154 were performed on both HB-210 and HB-212 to interrogate the change in mechanical properties, as measured through dynamic mechanical analysis and imaged using a scanning electron microscope. These results showed a decrease in both the storage modulus and loss modulus of the aged material compared to the unaged, even though the tan δ slightly increased. Material degradation occurred at a higher rate in Dyneema® HB-212 compared to HB-210. The HB-210 was characterized for the effects of 100 hours of UV aging via dynamic mechanical analysis. Scanning electron microscope images were taken of the HB-210 and HB-212 to identify the primary damage mechanisms in the matrix. Embrittlement and matrix spall were the products of prolonged UV exposure and erosion, resulting in decreased mechanical properties.

Keywords: Composite materials, material characterization, UV aging, UHMWPE.

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Authors: Abdel Ilah Alshabtat, Liang Dong

Abstract:

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

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

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Authors: Gkolfo I. Smani, Vasileios Megalooikonomou

Abstract:

Influence and influence diffusion have been studied extensively in social networks. However, most existing literature on this task are limited on static networks, ignoring the fact that the interactions between users change over time. In this paper, the problem of maximizing influence diffusion in dynamic social networks, i.e., the case of networks that change over time is studied. The DM algorithm is an extension of Matrix Influence (MATI) algorithm and solves the Influence Maximization (IM) problem in dynamic networks and is proposed under the Linear Threshold (LT) and Independent Cascade (IC) models. Experimental results show that our proposed algorithm achieves a diffusion performance better by 1.5 times than several state-of-the-art algorithms and comparable results in diffusion scale with the Greedy algorithm. Also, the proposed algorithm is 2.4 times faster than previous methods.

Keywords: Influence maximization, dynamic social networks, diffusion, social influence.

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Authors: B. A. A. Paixão, J. V. B. Gomide

Abstract:

This work aims to analyze the locative structure used by the locative games of the company Niantic. To fulfill this objective, a literature review on the representation and simulation of cities was developed; interviews with Ingress players and playing Ingress. Relating these data, it was possible to deepen the relationship between the virtual and the real to create the simulation of cities and their cultural objects in locative games. Cities representation associates geo-location provided by the Global Positioning System (GPS), with augmented reality and digital image, and provides a new paradigm in the city interaction with its parts and real and virtual world elements, homeomorphic to real world. Bibliographic review of papers related to the representation and simulation study and their application in locative games was carried out and is presented in the present paper. The cities representation and simulation concepts in locative games, and how this setting enables the flow and immersion in urban space, are analyzed. Some examples of games are discussed for this new setting development, which is a mix of real and virtual world. Finally, it was proposed a Locative Structure for electronic games using the concepts of heterotrophic representations and isotropic representations conjoined with immediacy and hypermediacy.

Keywords: Cities representation, city simulation, games simulation, locative games.

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Authors: Yasmin Yahya, Roslan Ismail, Samreth Vanna, Khorn Saret

Abstract:

The study on the tree growth for four species groups of commercial timber in Koh Kong province, Cambodia-s tropical rainforest is described. The simulation for these four groups had been successfully developed in the 5-year interval through year-60. Data were obtained from twenty permanent sample plots in the duration of thirteen years. The aim for this study was to develop stand table simulation system of tree growth by the species group. There were five steps involved in the development of the tree growth simulation: aggregate the tree species into meaningful groups by using cluster analysis; allocate the trees in the diameter classes by the species group; observe the diameter movement of the species group. The diameter growth rate, mortality rate and recruitment rate were calculated by using some mathematical formula. Simulation equation had been created by combining those parameters. Result showed the dissimilarity of the diameter growth among species groups.

Keywords: cluster analysis, diameter growth, simulation

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Authors: Sh. Shahhosseini, S. Alinia, M. Irani

Abstract:

In this paper 2D Simulation of catalytic Fixed Bed Reactor in Fischer-Tropsch Synthesis of GTL technology has been performed utilizing computational fluid dynamics (CFD). Synthesis gas (a mixture of carbon monoxide and hydrogen) has been used as feedstock. The reactor was modeled and the model equations were solved employing finite volume method. The model was validated against the experimental data reported in literature. The comparison showed a good agreement between simulation results and the experimental data. In addition, the model was applied to predict the concentration contours of the reactants and products along the length of reactor.

Keywords: GTL, Fischer–Tropsch synthesis, Fixed Bed Reactor, CFD simulation.

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Authors: Johan Segeborn, Johan S. Carlson, Robert Bohlin, Rikard Söderberg

Abstract:

This paper presents a method to support dynamic packing in cases when no collision-free path can be found. The method, which is primarily based on path planning and shrinking of geometries, suggests a minimal geometry design change that results in a collision-free assembly path. A supplementing approach to optimize geometry design change with respect to redesign cost is described. Supporting this dynamic packing method, a new method to shrink geometry based on vertex translation, interweaved with retriangulation, is suggested. The shrinking method requires neither tetrahedralization nor calculation of medial axis and it preserves the topology of the geometry, i.e. holes are neither lost nor introduced. The proposed methods are successfully applied on industrial geometries.

Keywords: Dynamic packing, path planning, shrinking.

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Authors: Ali Raad Hassan

Abstract:

Natural frequencies and dynamic response of a spur gear sector are investigated using a two dimensional finite element model that offers significant advantages for dynamic gear analyses. The gear teeth are analyzed for different operating speeds. A primary feature of this modeling is determination of mesh forces using a detailed contact analysis for each time step as the gears roll through the mesh. ANSYS software has been used on the proposed model to find the natural frequencies by Block Lanczos technique and displacements and dynamic stresses by transient mode super position method. The effect of rotational speed of the gear on the dynamic response of gear tooth has been studied and design limits have been discussed.

Keywords: Spur gear, Natural frequency, transient analysis, Mode super position technique.

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Authors: Pramod Goyal, S. K. Saxena

Abstract:

The convergence of heterogeneous wireless access technologies characterizes the 4G wireless networks. In such converged systems, the seamless and efficient handoff between different access technologies (vertical handoff) is essential and remains a challenging problem. The heterogeneous co-existence of access technologies with largely different characteristics creates a decision problem of determining the “best" available network at “best" time to reduce the unnecessary handoffs. This paper proposes a dynamic decision model to decide the “best" network at “best" time moment to handoffs. The proposed dynamic decision model make the right vertical handoff decisions by determining the “best" network at “best" time among available networks based on, dynamic factors such as “Received Signal Strength(RSS)" of network and “velocity" of mobile station simultaneously with static factors like Usage Expense, Link capacity(offered bandwidth) and power consumption. This model not only meets the individual user needs but also improve the whole system performance by reducing the unnecessary handoffs.

Keywords: Dynamic decision model, Seamless handoff, Vertical handoff, Wireless networks

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Authors: Jui P. Hung, Yuan L. Lai, Tzuo L. Luo, Hsi H. Hsiao

Abstract:

The machining performance is determined by the frequency characteristics of the machine-tool structure and the dynamics of the cutting process. Therefore, the prediction of dynamic vibration behavior of spindle tool system is of great importance for the design of a machine tool capable of high-precision and high-speed machining. The aim of this study is to develop a finite element model to predict the dynamic characteristics of milling machine tool and hence evaluate the influence of the preload of the spindle bearings. To this purpose, a three dimensional spindle bearing model of a high speed engraving spindle tool was created. In this model, the rolling interfaces with contact stiffness defined by Harris model were used to simulate the spindle bearing components. Then a full finite element model of a vertical milling machine was established by coupling the spindle tool unit with the machine frame structure. Using this model, the vibration mode that had a dominant influence on the dynamic stiffness was determined. The results of the finite element simulations reveal that spindle bearing with different preloads greatly affect the dynamic behavior of the spindle tool unit and hence the dynamic responses of the vertical column milling system. These results were validated by performing vibration on the individual spindle tool unit and the milling machine prototype, respectively. We conclude that preload of the spindle bearings is an important component affecting the dynamic characteristics and machining performance of the entire vertical column structure of the milling machine.

Keywords: Dynamic compliance, Milling machine, Spindle unit, Bearing preload.

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Authors: Seif Dalilsafaei

Abstract:

Crawling movement as a motive mode seen in nature of some animals such as snakes possesses a specific syntactic and dynamic analysis. Serpentine robot designed by inspiration from nature and snake-s crawling motion, is regarded as a crawling robot. In this paper, a serpentine robot with spiral motion model will be analyzed. The purpose of this analysis is to calculate the vertical and tangential forces along snake-s body and to determine the parameters affecting on these forces. Two types of serpentine robots have been designed in order to examine the achieved relations explained below.

Keywords: Force, Dynamic analyze, Joint and Snake robot.

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Authors: K. T. Huynh, I. Gibson, W. F. Lu, B. N. Jagdish

Abstract:

In this paper, the construction of a detailed spine model is presented using the LifeMOD Biomechanics Modeler. The detailed spine model is obtained by refining spine segments in cervical, thoracic and lumbar regions into individual vertebra segments, using bushing elements representing the intervertebral discs, and building various ligamentous soft tissues between vertebrae. In the sagittal plane of the spine, constant force will be applied from the posterior to anterior during simulation to determine dynamic characteristics of the spine. The force magnitude is gradually increased in subsequent simulations. Based on these recorded dynamic properties, graphs of displacement-force relationships will be established in terms of polynomial functions by using the least-squares method and imported into a haptic integrated graphic environment. A thoracolumbar spine model with complex geometry of vertebrae, which is digitized from a resin spine prototype, will be utilized in this environment. By using the haptic technique, surgeons can touch as well as apply forces to the spine model through haptic devices to observe the locomotion of the spine which is computed from the displacement-force relationship graphs. This current study provides a preliminary picture of our ongoing work towards building and simulating bio-fidelity scoliotic spine models in a haptic integrated graphic environment whose dynamic properties are obtained from LifeMOD. These models can be helpful for surgeons to examine kinematic behaviors of scoliotic spines and to propose possible surgical plans before spine correction operations.

Keywords: Haptic interface, LifeMOD, spine modeling.

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Authors: Shinji Oouchi, Hajime Nomura, Kung-Da Wu, Yong-Run Chen, Jui-Pin Hung

Abstract:

This paper presents the variation of the dynamic characteristics of a spindle with the change of bearing preload. The correlations between the variation of bearing preload and fundamental modal parameters were first examined by conducting vibration tests on physical spindle units. Experimental measurements show that the dynamic compliance and damping ratio associated with the dominating modes were affected to vary with variation of the bearing preload. When the bearing preload was slightly deviated from a standard value, the modal frequency and damping ability also vary to different extent, which further enable the spindle to perform with different compliance. For the spindle used in this study, a standard preload value set on bearings would enable the spindle to behave a higher stiffness as compared with others with a preload variation. This characteristic can be served as a reference to examine the variation of bearing preload of spindle in assemblage or operation.

Keywords: Dynamic compliance, Bearing preload, Modal damping.

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Authors: P. Sowa

Abstract:

The new idea of analyze of power system failure with use of artificial neural network is proposed. An analysis of the possibility of simulating phenomena accompanying system faults and restitution is described. It was indicated that the universal model for the simulation of phenomena in whole analyzed range does not exist. The main classic method of search of optimal structure and parameter identification are described shortly. The example with results of calculation is shown.

Keywords: Dynamic equivalents, Network reduction, Neural networks, Power system analysis.

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Authors: Ellips Masehian, Yalda Katebi

Abstract:

This paper presents a new sensor-based online method for generating collision-free near-optimal paths for mobile robots pursuing a moving target amidst dynamic and static obstacles. At each iteration, first the set of all collision-free directions are calculated using velocity vectors of the robot relative to each obstacle and target, forming the Directive Circle (DC), which is a novel concept. Then, a direction close to the shortest path to the target is selected from feasible directions in DC. The DC prevents the robot from being trapped in deadlocks or local minima. It is assumed that the target's velocity is known, while the speeds of dynamic obstacles, as well as the locations of static obstacles, are to be calculated online. Extensive simulations and experimental results demonstrated the efficiency of the proposed method and its success in coping with complex environments and obstacles.

Keywords: Dynamic Environment, Moving Target, RobotMotion Planning.

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Authors: Ethar H. Khalil, Bahaa I. Kazem

Abstract:

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

Keywords: Mobile robot, path planning, Bezier curve.

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Authors: Abdullah M. Almeshal, Mohammad R. Alenezi, Talal H. Alzanki

Abstract:

This paper presents a hybrid fuzzy logic control strategy for a unicycle trajectory following robot on irregular terrains. In literature, researchers have presented the design of path tracking controllers of mobile robots on non-frictional surface. In this work, the robot is simulated to drive on irregular terrains with contrasting frictional profiles of peat and rough gravel. A hybrid fuzzy logic controller is utilised to stabilise and drive the robot precisely with the predefined trajectory and overcome the frictional impact. The controller gains and scaling factors were optimised using spiral dynamics optimisation algorithm to minimise the mean square error of the linear and angular velocities of the unicycle robot. The robot was simulated on various frictional surfaces and terrains and the controller was able to stabilise the robot with a superior performance that is shown via simulation results.

Keywords: Fuzzy logic control, mobile robot, trajectory tracking, spiral dynamic algorithm.

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Authors: U. P. L. Wijayarathne, K. C. Wasalathilake

Abstract:

This work presents the modelling and simulation of saponification of ethyl acetate in the presence of sodium hydroxide in a plug flow reactor using Aspen Plus simulation software. Plug flow reactors are widely used in the industry due to the non-mixing property. The use of plug flow reactors becomes significant when there is a need for continuous large scale reaction or fast reaction. Plug flow reactors have a high volumetric unit conversion as the occurrence for side reactions is minimum. In this research Aspen Plus V8.0 has been successfully used to simulate the plug flow reactor. In order to simulate the process as accurately as possible HYSYS Peng- Robinson EOS package was used as the property method. The results obtained from the simulation were verified by the experiment carried out in the EDIBON plug flow reactor module. The correlation coefficient (r2) was 0.98 and it proved that simulation results satisfactorily fit for the experimental model. The developed model can be used as a guide for understanding the reaction kinetics of a plug flow reactor.

Keywords: Aspen Plus, Modelling, Plug Flow Reactor, Simulation.

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Authors: H. Mohammadipanah, H. Zohoor

Abstract:

This paper presents kinematic and dynamic analysis of a novel 8-DOF hybrid robot manipulator. The hybrid robot manipulator under consideration consists of a parallel robot which is followed by a serial mechanism. The parallel mechanism has three translational DOF, and the serial mechanism has five DOF so that the overall degree of freedom is eight. The introduced manipulator has a wide workspace and a high capability to reduce the actuating energy. The inverse and forward kinematic solutions are described in closed form. The theoretical results are verified by a numerical example. Inverse dynamic analysis of the robot is presented by utilizing the Iterative Newton-Euler and Lagrange dynamic formulation methods. Finally, for performing a multi-step arc welding process, results have indicated that the introduced manipulator is highly capable of reducing the actuating energy.

Keywords: hybrid robot, closed form, inverse dynamic, actuating energy, arc welding

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Authors: Markéta Gregušová, Vladimíra Schindlerová, Ivana Šajdlerová, Petr Mohyla, Jan Kedroň

Abstract:

Company managers are always looking for more and more opportunities to succeed in today's fiercely competitive market. To maintain your place among the successful companies on the market today or to come up with a revolutionary business idea is much more difficult than before. Each new or improved method, tool, or approach that can improve the functioning of business processes or even of the entire system is worth checking and verification. The use of simulation in the design of manufacturing systems and their management in practice is one of the ways without increased risk, which makes it possible to find the optimal parameters of manufacturing processes and systems. The paper presents an example of use of simulation for solution of the bottleneck problem in the concrete company.

Keywords: Practical applications, business processes, systems, simulation.

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Authors: He Chao, Zhang Lei, Liu Ran, Li Ang

Abstract:

Temperature regulating system by gaseous nitrogen is of importance to the space environment simulator, which keeps the shrouds in the temperature range from -150°C to +150°C. Liquid nitrogen spray equipment is one of the most critical parts in the temperature regulating system by gaseous nitrogen. Y type jet atomizer and internal mixing atomizer of the liquid nitrogen spray equipment are studied in this paper, 2D/3D atomizer model was established and grid division was conducted respectively by the software of Catia and ICEM. Based on the above preparation, numerical simulation on the spraying process of the atomizer by FLUENT is performed. Using air and water as the medium, comparison between the tests and numerical simulation was conducted and the results of two ways match well. Hence, it can be conclude that this atomizer model can be applied in the numerical simulation of liquid nitrogen spray equipment.

Keywords: Space environmental simulator, liquid nitrogen spray, Y type jet atomizer, internal mixing atomizer, numerical simulation, fluent.

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Authors: Parvinder Singh Sandhu, Gurdev Singh

Abstract:

Metrics is the process by which numbers or symbols are assigned to attributes of entities in the real world in such a way as to describe them according to clearly defined rules. Software metrics are instruments or ways to measuring all the aspect of software product. These metrics are used throughout a software project to assist in estimation, quality control, productivity assessment, and project control. Object oriented software metrics focus on measurements that are applied to the class and other characteristics. These measurements convey the software engineer to the behavior of the software and how changes can be made that will reduce complexity and improve the continuing capability of the software. Object oriented software metric can be classified in two types static and dynamic. Static metrics are concerned with all the aspects of measuring by static analysis of software and dynamic metrics are concerned with all the measuring aspect of the software at run time. Major work done before, was focusing on static metric. Also some work has been done in the field of dynamic nature of the software measurements. But research in this area is demanding for more work. In this paper we give a set of dynamic metrics specifically for polymorphism in object oriented system.

Keywords: Metrics, Software, Quality, Object oriented system, Polymorphism.

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Authors: Javid Iqbal, Zhu Shifan

Abstract:

The development in the construction of unconventional ships and the implementation of lightweight materials have shown a large impulse towards finite element (FE) method, making it a general tool for ship design. This paper briefly presents the modeling and analysis techniques of ship structures using FE method for complex boundary conditions which are difficult to analyze by existing Ship Classification Societies rules. During operation, all ships experience complex loading conditions. These loads are general categories into thermal loads, linear static, dynamic and non-linear loads. General strength of the ship structure is analyzed using static FE analysis. FE method is also suitable to consider the local loads generated by ballast tanks and cargo in addition to hydrostatic and hydrodynamic loads. Vibration analysis of a ship structure and its components can be performed using FE method which helps in obtaining the dynamic stability of the ship. FE method has developed better techniques for calculation of natural frequencies and different mode shapes of ship structure to avoid resonance both globally and locally. There is a lot of development towards the ideal design in ship industry over the past few years for solving complex engineering problems by employing the data stored in the FE model. This paper provides an overview of ship modeling methodology for FE analysis and its general application. Historical background, the basic concept of FE, advantages, and disadvantages of FE analysis are also reported along with examples related to hull strength and structural components.

Keywords: Dynamic analysis, finite element methods, ship structure, vibration analysis.

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Authors: Sihana Ahmeti Lika, Merita Dauti, Ledjan Malaj

Abstract:

The objective of this study is to analyze the prophylactic usage of low molecular weight heparin (LMWH) along pregnancy and the correlation between their usage and month/week of pregnancy, in the Department of Gynecology and Obstetrics, at Clinical Hospital in Tetovo. A retrospective study was undertaken during 01 January – 31 December 2012. Over of one year, the total number of patients was 4636. Among the 1447 (32.21%) pregnant women, 298 (20.59%) of them were prescribed LMWH. The majority of patients given LMWH, 119 (39.93%) were diagnosed hypercoagulable. The age group with the highest attendance was 25- 35, 141 patients (47.32%). For 195 (65.44%) patients, this was their first pregnancy. Earliest stage of using LMWH was the second month of pregnancy 4 (1.34%) cases. The most common patients were 70 women along the seventh month (23.49%), followed by 68 in the ninth month of pregnancy (22.81%). Women in the 28th gestational week, were found to be the most affected, a total of 55 (78.57%) were in that week. Clexane 2000 and Fraxiparine 0.3 were the most common for which low molecular weight heparin was prescribed. The number of patients which received Clexane 2000 was 84 (28.19%), followed by those with Fraxiparine 0.3 81 (27.18%). The administration of LMWH is associated with long hospitalization (median 14,6 days).

Keywords: Hypercoagulable state, low molecular weight heparin, month of pregnancy, pregnant women.

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Authors: Michael Todinov, Eberechi Weli

Abstract:

The paper suggests for the first time the use of dynamic programming techniques for optimal risk reduction in the railway industry. It is shown that by using the concept ‘amount of removed risk by a risk reduction option’, the problem related to optimal allocation of a fixed budget to achieve a maximum risk reduction in the railway industry can be reduced to an optimisation problem from dynamic programming. For n risk reduction options and size of the available risk reduction budget B (expressed as integer number), the worst-case running time of the proposed algorithm is O (n x (B+1)), which makes the proposed method a very efficient tool for solving the optimal risk reduction problem in the railway industry. 

Keywords: Optimisation, railway risk reduction, budget constraints, dynamic programming.

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Authors: Fabrice Poirion, Benedicte Puig

Abstract:

Mathematical justifications are given for a simulation technique of multivariate nonGaussian random processes and fields based on Rosenblatt-s transformation of Gaussian processes. Different types of convergences are given for the approaching sequence. Moreover an original numerical method is proposed in order to solve the functional equation yielding the underlying Gaussian process autocorrelation function.

Keywords: Simulation, nonGaussian, random field, multivariate, stochastic process.

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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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