Search results for: Impurities and Electronic Transport

Authors: Soon-Tai Park, Jong-Whoi Shin, Bog-Ki Min, Ik-Sub Lee, Gang-Shin Lee, Jae-Il Lee

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As the information age matures, major social infrastructures such as communication, finance, military and energy, have become ever more dependent on information communication systems. And since these infrastructures are connected to the Internet, electronic intrusions such as hacking and viruses have become a new security threat. Especially, disturbance or neutralization of a major social infrastructure can result in extensive material damage and social disorder. To address this issue, many nations around the world are researching and developing various techniques and information security policies as a government-wide effort to protect their infrastructures from newly emerging threats. This paper proposes an evaluation method for information security levels of CIIP (Critical Information Infrastructure Protection), which can enhance the security level of critical information infrastructure by checking the current security status and establish security measures accordingly to protect infrastructures effectively.

Keywords: Information Security Evaluation Methodology, Critical Information Infrastructure Protection.

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Authors: A. Roukouni, S. Basbas, M. Giannopoulou

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Transport and land use are two systems that are mutually influenced. Their interaction is a complex process associated with continuous feedback. The paper examines the existing land use around an under construction metro station of the new metro network of Thessaloniki, Greece, through the use of field investigations, around the station-s predefined location. Moreover, except from the analytical land use recording, a sampling questionnaire survey is addressed to several selected enterprises of the study area. The survey aims to specify the characteristics of the enterprises, the trip patterns of their employees and clients, as well as the stated preferences towards the changes the new metro station is considered to bring to the area. The interpretation of the interrelationships among selected data from the questionnaire survey takes place using the method of Principal Components Analysis for Categorical Data. The followed methodology and the survey-s results contribute to the enrichment of the relevant bibliography concerning the way the creation of a new metro station can have an impact on the land use pattern of an area, by examining the situation before the operation of the station.

Keywords: land use, metro station, questionnaire survey

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Authors: Phuoc Si Nguyen

Abstract:

Frequency transformation with Pascal matrix equations is a method for transforming an electronic filter (analogue or digital) into another filter. The technique is based on frequency transformation in the s-domain, bilinear z-transform with pre-warping frequency, inverse bilinear transformation and a very useful application of the Pascal’s triangle that simplifies computing and enables calculation by hand when transforming from one filter to another. This paper will introduce two methods to transform a filter into a digital filter: frequency transformation from the s-domain into the z-domain; and frequency transformation in the z-domain. Further, two Pascal matrix equations are derived: an analogue to digital filter Pascal matrix equation and a digital to digital filter Pascal matrix equation. These are used to design a desired digital filter from a given filter.

Keywords: Frequency transformation, Bilinear z-transformation, Pre-warping frequency, Digital filters, Analog filters, Pascal’s triangle.

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Authors: M. Morri, A. Soualmia, P. Belleudy

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Vegetation affects the mean and turbulent flow structure. It may increase flood risks and sediment transport. Therefore, it is important to develop analytical approaches for the bed shear stress on vegetated bed, to predict resistance caused by vegetation. In the recent years, experimental and numerical models have both been developed to model the effects of submerged vegetation on open-channel flow. In this paper, different analytic models are compared and tested using the criteria of deviation, to explore their capacity for predicting the mean velocity and select the suitable one that will be applied in real case of rivers. The comparison between the measured data in vegetated flume and simulated mean velocities indicated, a good performance, in the case of rigid vegetation, whereas, Huthoff model shows the best agreement with a high coefficient of determination (R2=80%) and the smallest error in the prediction of the average velocities.

Keywords: Analytic Models, Comparison, Mean Velocity, Vegetation.

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Authors: S. M. Abbas, M. A. Hannan, S. A. Samad, A. Hussain

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This paper presented a modified efficient inductive powering link based on ASK modulator and proposed efficient class- E power amplifier. The design presents the external part which is located outside the body to transfer power and data to the implanted devices such as implanted Microsystems to stimulate and monitoring the nerves and muscles. The system operated with low band frequency 10MHZ according to industrial- scientific – medical (ISM) band to avoid the tissue heating. For external part, the modulation index is 11.1% and the modulation rate 7.2% with data rate 1 Mbit/s assuming Tbit = 1us. The system has been designed using 0.35-μm fabricated CMOS technology. The mathematical model is given and the design is simulated using OrCAD P Spice 16.2 software tool and for real-time simulation, the electronic workbench MULISIM 11 has been used.

Keywords: Implanted devices, ASK techniques, Class-E power amplifier, Inductive powering and low-frequency ISM band.

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Authors: W. Adi, Khaled E. A. Negm, A. Mabrouk, H. Ghraieb

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In the current study we present a system that is capable to deliver proxy based differentiated service. It will help the carrier service node to sell a prepaid service to clients and limit the use to a particular mobile device or devices for a certain time. The system includes software and hardware architecture for a mobile device with moderate computational power, and a secure protocol for communication between it and its carrier service node. On the carrier service node a proxy runs on a centralized server to be capable of implementing cryptographic algorithms, while the mobile device contains a simple embedded processor capable of executing simple algorithms. One prerequisite is needed for the system to run efficiently that is a presence of Global Trusted Verification Authority (GTVA) which is equivalent to certifying authority in IP networks. This system appears to be of great interest for many commercial transactions, business to business electronic and mobile commerce, and military applications.

Keywords: Mobile Device Security, Identity Authentication, Mobile Commerce Security.

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Authors: P. Ahern, D. Collery

Abstract:

The implementation of lean thinking in the manufacturing industry revolutionized the traditional approach to large-scale production through the process of identifying the waste in each task and putting in place mitigation measures to eliminate the waste in all its forms. The Irish construction industry, however, has been much slower to adopt the principles of lean, opting instead to stick with the traditional approach to construction project delivery which is inherently wasteful. Lean thinking holds the potential to revolutionize the construction industry in a similar manner to the adoption of lean manufacturing. Lean principles present opportunities for reduced project duration, reduced project cost, improved quality, and elimination of re-works and non-value-added activities. This research has been designed to accumulate research data through available literature, electronic surveys, and interviews. The results show an industry reluctant to accept change and an undefined path to successful lean construction implementation.

Keywords: Barriers, lean construction, lean implementation, lean manufacturing, lean philosophy.

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Authors: A. Jomartov, A. Tuleshov, B. Tultaev

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One of the main tasks in the development of textile machinery is to increase the rapidity of automatic looms, and consequently, their productivity. With increasing automatic loom speeds, the dynamic loads on their separate mechanisms and moving joints sharply increase. Dynamic research allows us to determine the weakest mechanisms of the automatic loom. The modern automatic loom consists of a large number of structurally different mechanisms. These are cam, lever, gear, friction and combined cyclic mechanisms. The modern automatic loom contains various mechatronic devices: A device for the automatic removal of faulty weft, electromechanical drive warp yarns, electronic controllers, servos, etc. In the paper, we consider the multibody dynamic model of the automatic loom on the software complex SimulationX. SimulationX is multidisciplinary software for modeling complex physical and technical facilities and systems. The multibody dynamic model of the automatic loom allows consideration of: The transition processes, backlash at the joints and nodes, the force of resistance and electric motor performance.

Keywords: Automatic loom, dynamics, model, multibody, SimulationX.

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Authors: Md. Aftabuzzaman, Md. Kamruzzaman

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Road-related expenditure and building construction activity are two significant drivers of the Victorian economy. This paper investigates the relationship between building construction activity and road-related expenditure. Data for construction activities were collected from Victorian Building Authority, and road-related expenditure data were explored by the Bureau of Infrastructure and Transport Research Economics. The trend between these two sectors was compared. The analysis found a strong relationship between road-related expenditure and the volume of construction activity, i.e., the more construction activities, the greater the requirement of road-related expenditure, or vice-versa. The road-related expenditure has a two-year lag period, suggesting that the road sector requires two years to respond to the growth in the building sector.

Keywords: Building construction activity, infrastructure, road expenditure, Victorian building authority.

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Authors: Omer Mahmood, Selvakennedy Selvadurai

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“Web of Trust" is one of the recognized goals for Web 2.0. It aims to make it possible for the people to take responsibility for what they publish on the web, including organizations, businesses and individual users. These objectives, among others, drive most of the technologies and protocols recently standardized by the governing bodies. One of the great advantages of Web infrastructure is decentralization of publication. The primary motivation behind Web 2.0 is to assist the people to add contents for Collective Intelligence (CI) while providing mechanisms to link content with people for evaluations and accountability of information. Such structure of contents will interconnect users and contents so that users can use contents to find participants and vice versa. This paper proposes conceptual information storage and linking model, based on decentralized information structure, that links contents and people together. The model uses FOAF, Atom, RDF and RDFS and can be used as a blueprint to develop Web 2.0 applications for any e-domain. However, primary target for this paper is online trust evaluation domain. The proposed model targets to assist the individuals to establish “Web of Trust" in online trust domain.

Keywords: Web of Trust, Semantic Web, Electronic SocialNetworks, Information Management

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Authors: M. Mottaghi, F. Ghalichi, H. Badri Ghavifekr, H. Niroomand Oskui

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This paper presents design and characterization of a microaccelerometer designated for integration into cataract surgical probe to detect hardness of different eye tissues during cataract surgery. Soft posterior lens capsule of eye can be easily damaged in comparison with hard opaque lens since the surgeon can not see directly behind cutting needle during the surgery. Presence of microsensor helps the surgeon to avoid rupturing posterior lens capsule which if occurs leads to severe complications such as glaucoma, infection, or even blindness. The microsensor having overall dimensions of 480 μm x 395 μm is able to deliver significant capacitance variations during encountered vibration situations which makes it capable to distinguish between different types of tissue. Integration of electronic components on chip ensures high level of reliability and noise immunity while minimizes space and power requirements. Physical characteristics and results on performance testing, proves integration of microsensor as an effective tool to aid the surgeon during this procedure.

Keywords: Cataract surgery, MEMS, Microsensor, Phacoemulsification.

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Authors: Saeed Rahmani Bagha, Mohammad Mirzahosseinian, Sonatkhatoon Kashanimotlagh

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Nowadays, under developed countries for progress in science and technology and decreasing the technologic gap with developed countries, increasing the capacities and technology transfer from developed countries. To remain competitive, industry is continually searching for new methods to evolve their products. Business model is one of the latest buzzwords in the Internet and electronic business world. To be successful, organizations must look into the needs and wants of their customers. This research attempts to identify a specific feature of the company with a strong competitive advantage by analyzing the cause of Customer satisfaction. Due to the rapid development of knowledge and information technology, business environments have become much more complicated. Information technology can help a firm aiming to gain a competitive advantage. This study explores the role and effect of Information Communication Technology in Business Models and Customer satisfaction on firms and also relationships between ICTs and Outsourcing strategic.

Keywords: Information Communication Technology, Outsourcing, Customer Satisfaction, Business Plan

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Authors: Karandeep Singh, Baibing Li

Abstract:

Traffic density, an indicator of traffic conditions, is one of the most critical characteristics to Intelligent Transport Systems (ITS). This paper investigates recursive traffic density estimation using the information provided from inductive loop detectors. On the basis of the phenomenological relationship between speed and density, the existing studies incorporate a state space model and update the density estimate using vehicular speed observations via the extended Kalman filter, where an approximation is made because of the linearization of the nonlinear observation equation. In practice, this may lead to substantial estimation errors. This paper incorporates a suitable transformation to deal with the nonlinear observation equation so that the approximation is avoided when using Kalman filter to estimate the traffic density. A numerical study is conducted. It is shown that the developed method outperforms the existing methods for traffic density estimation.

Keywords: Density estimation, Kalman filter, speed-densityrelationship, Traffic surveillance.

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Authors: Jatinderkumar R. Saini

Abstract:

E-mail has become a key mechanism of electronic communication. This is true for professional organizations that like to communicate with their subjects online and are slowly shifting to paper-less office. The current paper focuses specifically on academic institutions offering Engineering course in Gujarat state and attempts for textual analysis of the usernames of the institutional e-mail addresses. We found that the institutions tend to design the username segment of their e-mail addresses by choosing words or combination of words from specific categories. The paper also highlights the use of special characters, digits and random words in designing the usernames. On the sidelines, the paper lists the style of employing department names and designations for the design process. To the best of our knowledge, this is the first formal attempt to analyze the selection of words employed for designing username segment of e-mail addresses of engineering institutions.

Keywords: E-mail address, Institute, Engineering, Username.

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Authors: D. I. De Souza, G. P. Azevedo, D. R. Fonseca

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In this paper we will develop further the sequential life test approach presented in a previous article by [1] using an underlying two parameter Inverse Weibull sampling distribution. The location parameter or minimum life will be considered equal to zero. Once again we will provide rules for making one of the three possible decisions as each observation becomes available; that is: accept the null hypothesis H0; reject the null hypothesis H0; or obtain additional information by making another observation. The product being analyzed is a new electronic component. There is little information available about the possible values the parameters of the corresponding Inverse Weibull underlying sampling distribution could have.To estimate the shape and the scale parameters of the underlying Inverse Weibull model we will use a maximum likelihood approach for censored failure data. A new example will further develop the proposed sequential life testing approach.

Keywords: Sequential Life Testing, Inverse Weibull Model, Maximum Likelihood Approach, Hypothesis Testing.

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Authors: Hamid Barati, Ali Movaghar, Ali Barati, Arash Azizi Mazreah

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The special constraints of sensor networks impose a number of technical challenges for employing them. In this review, we study the issues and existing protocols in three areas: coverage and routing. We present two types of coverage problems: to determine the minimum number of sensor nodes that need to perform active sensing in order to monitor a certain area; and to decide the quality of service that can be provided by a given sensor network. While most routing protocols in sensor networks are data-centric, there are other types of routing protocols as well, such as hierarchical, location-based, and QoS-aware. We describe and compare several protocols in each group. We present several multipath routing protocols and single-path with local repair routing protocols, which are proposed for recovering from sensor node crashes. We also discuss some transport layer schemes for reliable data transmission in lossy wireless channels.

Keywords: Sensor networks, Coverage, Routing, Robustness.

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Authors: M. E. Marwan, A. R. Madar, N. Fuad

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Mobile learning (m-learning) is a new method in teaching and learning process which combines technology of mobile device with learning materials. It can enhance student's engagement in learning activities and facilitate them to access the learning materials at anytime and anywhere. In Kolej Poly-Tech Mara (KPTM), this method is seen as an important effort in teaching practice and to improve student learning performance. The aim of this paper is to discuss the development of m-learning application called Mobile EEF Learning System (MEEFLS) to be implemented for Electric and Electronic Fundamentals course using Flash, XML (Extensible Markup Language) and J2ME (Java 2 micro edition). System Development Life Cycle (SDLC) was used as an application development approach. It has three modules in this application such as notes or course material, exercises and video. MEELFS development is seen as a tool or a pilot test for m-learning in KPTM.

Keywords: Flash, mobile device, mobile learning, teaching and learning, SDLC, XML.

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Authors: Charmaine du Plessis

Abstract:

The brand storytelling themes and emotional appeals of three major global brands were analysed by means of visual rhetoric in a digital environment focusing on the ethos communication technique. A well-known framework of five basic brand personality dimensions was used to delineate the analysis. Brand storytelling as a branding technique is becoming increasingly popular, especially since all brands can tell a story to connect and engage with consumers on an emotional level. Social media have changed the way in which brand stories are shared with online consumers, while social video networking sites in particular create an opportunity to share brand stories with a much greater target audience through electronic word of mouth (eWOM). The findings not only confirm three dimensions in the traditional brand personality framework, but can also serve as a heuristic tool for other researchers analyzing brand storytelling in a social video sharing network environment.

Keywords: Communication technique, visual rhetoric, social video sharing network, brand storytelling.

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Authors: Gopu Sreenivasulu, Bimlesh Kumar, Achanta Ramakrishna Rao

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To define or predict incipient motion in an alluvial channel, most of the investigators use a standard or modified form of Shields- diagram. Shields- diagram does give a process to determine the incipient motion parameters but an iterative one. To design properly (without iteration), one should have another equation for resistance. Absence of a universal resistance equation also magnifies the difficulties in defining the model. Neural network technique, which is particularly useful in modeling a complex processes, is presented as a tool complimentary to modeling incipient motion. Present work develops a neural network model employing the RBF network to predict the average velocity u and water depth y based on the experimental data on incipient condition. Based on the model, design curves have been presented for the field application.

Keywords: Incipient motion, Prediction error, Radial-Basisfunction, Sediment transport, Shields' diagram.

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Authors: Augustine C. Azubogu, Victor E. Idigo, Schola U. Nnebe, Obinna S. Oguejiofor, Simon E.

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The main goal of this seminal paper is to introduce the application of Wireless Sensor Networks (WSN) in long distance infrastructure monitoring (in particular in pipeline infrastructure monitoring) – one of the on-going research projects by the Wireless Communication Research Group at the department of Electronic and Computer Engineering, Nnamdi Azikiwe University, Awka. The current sensor network architectures for monitoring long distance pipeline infrastructures are previewed. These are wired sensor networks, RF wireless sensor networks, integrated wired and wireless sensor networks. The reliability of these architectures is discussed. Three reliability factors are used to compare the architectures in terms of network connectivity, continuity of power supply for the network, and the maintainability of the network. The constraints and challenges of wireless sensor networks for monitoring and protecting long distance pipeline infrastructure are discussed.

Keywords: Connectivity, maintainability, reliability, wireless sensor networks.

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Authors: Mihai Duguleana, Florin Girbacia, Cristian Postelnicu, Raffaello Brodi, Marcello Carrozzino

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Augmented Reality (AR) has taken a big leap with the introduction of mobile applications which co-locate bi-dimensional (e.g. photo, video, text) and tridimensional information with the location of the user enriching his/her experience. This study presents the advantages of using Mobile Augmented Reality (MAR) technologies in traveling applications, improving cultural heritage exploration. We propose a location-based AR application which combines co-location with the augmented visual information about Pisa monuments to establish a friendly navigation in this historic city. AR was used to render contextual visual information in the outdoor environment. The developed Android-based application offers two different options: it provides the ability to identify the monuments positioned close to the user’s position and it offers location information for getting near the key touristic objectives. We present the process of creating the monuments’ 3D map database and the navigation algorithm.

Keywords: Augmented reality, electronic compass, GPS, location-based service.

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Authors: C. M. M. Paschoal, D. do N. Souza, L. A. P. Santos

Abstract:

In this study three commercial semiconductor devices were characterized in the laboratory for computed tomography dosimetry: one photodiode and two phototransistors. It was evaluated four responses to the irradiation: dose linearity, energy dependence, angular dependence and loss of sensitivity after X ray exposure. The results showed that the three devices have proportional response with the air kerma; the energy dependence displayed for each device suggests that some calibration factors would be applied for each one; the angular dependence showed a similar pattern among the three electronic components. In respect to the fourth parameter analyzed, one phototransistor has the highest sensitivity however it also showed the greatest loss of sensitivity with the accumulated dose. The photodiode was the device with the smaller sensitivity to radiation, on the other hand, the loss of sensitivity after irradiation is negligible. Since high accuracy is a desired feature for a dosimeter, the photodiode can be the most suitable of the three devices for dosimetry in tomography. The phototransistors can also be used for CT dosimetry, however it would be necessary a correction factor due to loss of sensitivity with accumulated dose.

Keywords: Dosimetry, computed tomography, phototransistor, photodiode

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Authors: M. Rahmati, S.M. Mirzababaei

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With the advance of information technology in the new era the applications of Internet to access data resources has steadily increased and huge amount of data have become accessible in various forms. Obviously, the network providers and agencies, look after to prevent electronic attacks that may be harmful or may be related to terrorist applications. Thus, these have facilitated the authorities to under take a variety of methods to protect the special regions from harmful data. One of the most important approaches is to use firewall in the network facilities. The main objectives of firewalls are to stop the transfer of suspicious packets in several ways. However because of its blind packet stopping, high process power requirements and expensive prices some of the providers are reluctant to use the firewall. In this paper we proposed a method to find a discriminate function to distinguish between usual packets and harmful ones by the statistical processing on the network router logs. By discriminating these data, an administrator may take an approach action against the user. This method is very fast and can be used simply in adjacent with the Internet routers.

Keywords: Data Mining, Firewall, Optimization, Packetclassification, Statistical Pattern Recognition.

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Authors: Danupun Visuwan, Pongchanun Luangpaiboon

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This paper presents the determination of the proper quality costs parameters which provide the optimum return. The system dynamics simulation was applied. The simulation model was constructed by the real data from a case of the electronic devices manufacturer in Thailand. The Steepest Descent algorithm was employed to optimise. The experimental results show that the company should spend on prevention and appraisal activities for 850 and 10 Baht/day respectively. It provides minimum cumulative total quality cost, which is 258,000 Baht in twelve months. The effect of the step size in the stage of improving the variables to the optimum was also investigated. It can be stated that the smaller step size provided a better result with more experimental runs. However, the different yield in this case is not significant in practice. Therefore, the greater step size is recommended because the region of optima could be reached more easily and rapidly.

Keywords: Quality costs, Steepest Descent Algorithm, StepSize, System Dynamics Simulation

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Authors: Z. Pavlík, H. Benešová, P. Matiašovský, M. Pavlíková

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In this paper, study on carbonation process of several types of advanced plasters on lime basis is presented. The movement of carbonation head was measured by colorimetric method using phenolphtalein. The rate of carbonation was accessed also by gravimetric method. Samples of studied materials were placed into the climatic chamber for simulation of environment with high concentration of CO2. The particular samples were on all lateral sides and on the bottom side provided by epoxy resin in order to arrange 1-D transport of CO2 into the studied samples. The carbonation rates of particular materials pointed to the time dependence of diffusion process of CO2 for all the studied plasters. From the quantitative point of view, the carbonation of advanced modified plasters was much faster than for the reference lime plaster, what is beneficial for the practical application of the tested newly developed materials.

Keywords: Carbonation, colorimetric method, gravimetric method, lime-based plasters, pozzolana admixtures.

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Authors: Lalith Edirisinghe, Zhihong Jin, A.W. Wijeratne, Hansa Edirisinghe, Lakshmi Ranwala Rashika Mudunkotuwa

Abstract:

A paradigm shift in container inventory management (CIM) is a long-awaited industry need. Virtual container yard (VCY) is a concept developed in 2013 and its primary objective is to minimize shipping transport cost through implementing container exchange between carriers. Shipping lines always try to maintain lower container idle time and provide higher customer satisfaction. However, it is disappointing to note that carriers turn a blind eye to the escalating cost resulted from the present inefficient CIM mechanism. The cost of empty container management is simply transferred to the importers and exporters as freight adjustments. It also creates an environmental hazard. Therefore, it has now become a problem for the society. Therefore, a paradigm shift may be required as the present CIM system is not working for common interests of human beings as it should be.

Keywords: Virtual container yard, imbalance, management, inventory, container inventory management.

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Authors: A. López–Vásquez, D. Santamaría, M. Tibatá, C. Gómez

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A study concerning the photocatalytic decolourization of Congo red (CR) dye, over artificial UV irradiation is presented. Photocatalysts based on a commercial titanium dioxide (TiO2) modified with transition metals (Ni, Cu and Zn) were used. The dopage method used was wet impregnation. A TiO2 sample without salt was subjected to the same hydrothermal treatment to be used as reference. Congo red solutions to several pH conditions (natural and basic) were used to evaluate photocatalytic performance of each doped catalysts. Photodecolourization percentage was measured spectrofotrometically after 3 h of treatment to 499 nm as response variable. Kinetics investigations of photodegradation indicated that reactions obey to Langmuir-Hinshelwood model and pseudo–first order law. The rate constant studies of photocatalytic decolourization reactions for Zn–TiO2 and Cu–TiO2 photocatalysts indicated that in all cases the rate constant of the reaction was higher than that of TiO2 undoped. These results show that nature of the metal modifying the TiO2 influence on the efficiency of the photocatalyst evaluated in process. Ni does not present an additional effect compared with TiO2, while Zn enhances the photoactivity due to its electronic properties.

Keywords: Congo red, Dopage, Photodecolourization, Titanium dioxide.

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Authors: Khin Sandar Win

Abstract:

In multi hop wireless systems, such as ad hoc and sensor networks, mobile ad hoc network applications are deployed, security emerges as a central requirement. A particularly devastating attack is known as the wormhole attack, where two or more malicious colluding nodes create a higher level virtual tunnel in the network, which is employed to transport packets between the tunnel end points. These tunnels emulate shorter links in the network. In which adversary records transmitted packets at one location in the network, tunnels them to another location, and retransmits them into the network. The wormhole attack is possible even if the attacker has not compromised any hosts and even if all communication provides authenticity and confidentiality. In this paper, we analyze wormhole attack nature in ad hoc and sensor networks and existing methods of the defending mechanism to detect wormhole attacks without require any specialized hardware. This analysis able to provide in establishing a method to reduce the rate of refresh time and the response time to become more faster.

Keywords: Ad hoc network, Sensor network, Wormhole attack, defending mechanism.

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Authors: Debesh R. Roy

Abstract:

The fundamental issue in understanding the origin and growth mechanism of nanomaterials, from a fundamental unit is a big challenging problem to the scientists. Recently, an immense attention is generated to the researchers for prediction of exceptionally stable atomic cluster units as the building units for future smart materials. The present study is a systematic investigation on the stability and electronic properties of a series of bimetallic (semiconductor-alkaline earth) clusters, viz., BxMg3 (x=1-5) is performed, in search for exceptional and/ or unusual stable motifs. A very popular hybrid exchange-correlation functional, B3LYP along with a higher basis set, viz., 6-31+G[d,p] is employed for this purpose under the density functional formalism. The magic stability among the concerned clusters is explained using the jellium model. It is evident from the present study that the magic stability of B4Mg3 cluster arises due to the jellium shell closure.

Keywords: Atomic Clusters, Density Functional Theory, Jellium Model, Magic Clusters, Smart Nanomaterials.

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Authors: A.Seif, H.Aghaie, K.Majlesi

Abstract:

A computational study at the level density functional theory (DFT) was carried out to investigate the influences of Si and C-doping on the 14N and 27Al quadrupole coupling constant in the (10, 0) zigzag single ? walled Aluminum-Nitride nanotube (AlNNT). To this aim, a 1.16nm, length of AlNNT consisting of 40 Al atoms and 40 N atoms were selected where the end atoms are capped by hydrogen atom. To follow the purpose, three Si atoms and three C atoms were doped instead of three Al atoms and three N atoms as a central ring in the surface of the Si and C-doped AlNNT. At first both of systems optimized at the level of BLYP method and 6-31G (d) basis set and after that, the NQR parameters were calculated at the level BLYP method and 6-311+G** basis set in two optimized forms. The calculate CQ values for both optimized AlNNT systems, raw and Si and C-doped, reveal different electronic environments in the mentioned systems. It was also demonstrated that the end nuclei have the largest CQ values in both considered AlNNT systems. All the calculations were carried out using Gaussian 98 package of program.

Keywords: DFT, Quadrupole Coupling Constant, Si and CDoping, Single-Walled AlN nanotubes.

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