Search results for: swab analysis

Authors: Mohamed A. Abou-Shouk, Mahamoud M. Hewedi

Abstract:

This study extends technology acceptance model (TAM) to investigate the antecedents and consequences of social media adoption by tourists and travel agents. It compares their perceptions on social media adoption and its consequences. Online survey was addressed to tourists and travel agents for data collection purposes. Structural equation modelling was employed for analysis purposes. The findings revealed that the majority of tourists and travel agents involved in the study believe in the usefulness of social media adoption for travel planning and marketing purposes. They agree that adopting social media could change the attitude of tourists towards specific destination or attraction and influence their purchasing decisions. This study contributes to knowledge by extending TAM and provides some managerial implication to marketers.

Keywords: TAM, social media, travel, tourism, travel agents.

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Authors: Martin Klepek

Abstract:

This paper presents results of primary quantitative research on viral advertising with focus on popularity and willingness to share viral video among Czech Internet population. It starts with brief theoretical debate on viral advertising, which is used for the comparison of the results. For purpose of collecting data, online questionnaire survey was given to 384 respondents. Statistics utilized in this research included frequency, percentage, correlation and Pearson’s Chi-square test. Data was evaluated using SPSS software. The research analysis disclosed high popularity of viral advertising video among Czech Internet population but implies lower willingness to share it. Significant relationship between likability of viral video technique and age of the viewer was found.

Keywords: Internet advertising, Internet population, promotion, marketing communication, viral advertising, viral video.

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Authors: Ahmed Z. Gabr, Ahmed A. Helal, Hussein E. Said

Abstract:

With the incessant increase of power systems capacity and voltage grade, the safety of grounding grid becomes more and more prominent. In this paper, the designing substation grounding grid is presented by means of genetic algorithm (GA). This approach purposes to control the grounding cost of the power system with the aid of controlling grounding rod number and conductor lengths under the same safety limitations. The proposed technique is used for the design of the substation grounding grid in Khalda Petroleum Company “El-Qasr” power plant and the design was simulated by using CYMGRD software for results verification. The result of the design is highly complying with IEEE 80-2000 standard requirements.

Keywords: Genetic algorithm, optimum grounding grid design, power system analysis, power system protection, single layer model, substation.

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Authors: War War Min Swe, Aung Myat Thu, Khin Cho Thet, Zaw Moe Htet, Thuzar Mon

Abstract:

The main parameter of the orifice hole diameter was designed according to the range of throttle diameter ratio which gave the required discharge coefficient. The discharge coefficient is determined by difference diameter ratios. The value of discharge coefficient is 0.958 occurred at throttle diameter ratio 0.5. The throttle hole diameter is 80 mm. The flow analysis is done numerically using ANSYS 17.0, computational fluid dynamics. The flow velocity was analyzed in the upstream and downstream of the orifice meter. The downstream velocity of non-standard orifice meter is 2.5% greater than that of standard orifice meter. The differential pressure is 515.379 Pa in standard orifice.

Keywords: CFD-CFX, discharge coefficients, flow characteristics, inclined.

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Authors: A.F. Salarashayeri, M. Siosemarde

Abstract:

Hydraulic conductivity is one parameter important for predicting the movement of water and contaminants dissolved in the water through the soil. The hydraulic conductivity is measured on soil samples in the lab and sometimes tests carried out in the field. The hydraulic conductivity has been related to soil particle diameter by a number of investigators. In this study, 25 set of soil samples with sand texture. The results show approximately success in predicting hydraulic conductivity from particle diameters data. The following relationship obtained from multiple linear regressions on data (R2 = 0.52): Where d10, d50 and d60, are the soil particle diameter (mm) that 10%, 50% and 60% of all soil particles are finer (smaller) by weight and Ks, saturated hydraulic conductivity is expressed in m/day. The results of regression analysis showed that d10 play a more significant role with respect to Ks, saturated hydraulic conductivity (m/day), and has been named as the effective parameter in Ks calculation.

Keywords: hydraulic conductivity, particle diameter, particle-size distribution and soil

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Authors: C. Rajan, K. Geetha, S. Geetha

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The motivation of image compression technique is to reduce the irrelevance and redundancy of the image data in order to store or pass data in an efficient way from one place to another place. There are several types of compression methods available. Without the help of compression technique, the file size is knowingly larger, usually several megabytes, but by doing the compression technique, it is possible to reduce file size up to 10% as of the original without noticeable loss in quality. Image compression can be lossless or lossy. The compression technique can be applied to images, audio, video and text data. This research work mainly concentrates on methods of encoding, DCT, compression methods, security, etc. Different methodologies and network simulations have been analyzed here. Various methods of compression methodologies and its performance metrics has been investigated and presented in a table manner.

Keywords: Image compression techniques, encoding, DCT, lossy compression, lossless compression, JPEG.

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Authors: Suzana Basaruddin, Haryani Haron, Siti Arpah Noodin

Abstract:

Managing knowledge of research is one way to ensure just in time information and knowledge to support research strategist and activities. Unfortunately researcher found the vital research knowledge in IHL (Institutions of Higher Learning) are scattered, unstructured and unorganized. Aiming on lay aside conceptual foundations for understanding and developing OMS (Organizational Memory System) to facilitate research in IHL, this research revealed ten factors contributed to the needs of research in the IHL and seven internal challenges of IHL in promoting research to their academic members. This study then suggested a comprehensive support of managing research knowledge using Organizational Memory System (OMS). Eight OMS characteristics to support research were identified. Finally the initial work in designing OMS was projected using knowledge taxonomy. All analysis is derived from pertinent research paper related to research in IHL and OMS. Further study can be conducted to validate and verify results presented.

Keywords: corporate memory, Institutions of Higher Learning, organizational memory system, research

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Authors: S. Berjozkina, A. Sauhats, V. Bargels, E. Vanzovichs

Abstract:

There are various solutions for improving existing overhead line systems with the general purpose of increasing their limited capacity. The capacity reserve of the existing overhead lines is an important problem that must be considered from different aspects. The paper contains a comparative analysis of the mechanical and thermal limitations of an existing overhead line based on certain calculation conditions characterizing the examined variants. The methodology of the proposed estimation of the permissible conductor temperature and maximum load current is described in detail. The transmission line model consists of specific information of an existing overhead line of the Latvian power network. The main purpose of the simulation tasks is to find an additional capacity reserve by using accurate mathematical models. The results of the obtained data are presented.

Keywords: capacity of an overhead line, mechanical conditions, permissible conductor temperature, thermal conditions.

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Authors: Amin Mojiri, Akiyoshi Ohashi, Tomonori Kindaichi

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Synthetic domestic wastewater was treated via combining treatment methods, including electrochemical oxidation, adsorption, and sequencing batch reactor (SBR). In the upper part of the reactor, an anode and a cathode (Ti/RuO₂-IrO₂) were organized in parallel for the electrochemical oxidation procedure. Sodium sulfate (Na₂SO₄) with a concentration of 2.5 g/L was applied as the electrolyte. The voltage and current were fixed on 7.50 V and 0.40 A, respectively. Then, 15% working value of the reactor was filled by activated sludge, and 85% working value of the reactor was added with synthetic wastewater. Powdered cockleshell, 1.5 g/L, was added in the reactor to do ion-exchange. Response surface methodology was employed for statistical analysis. Reaction time (h) and pH were considered as independent factors. A total of 97.0% biochemical oxygen demand, 99.9% phosphorous and 88.6% cadmium were eliminated at the optimum reaction time (80.0 min) and pH (6.4).

Keywords: Adsorption, electrochemical oxidation, metals, sequencing batch reactor.

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Authors: Johannes T. Tsoku, Teboho J. Mosikari, Diteboho Xaba, Thatoyaone Modise

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This paper examines the relationship between manufacturing growth and economic growth in South Africa using quarterly data ranging from 2001 to 2014. The paper employed the Johansen cointegration to test the Kaldor’s hypothesis. The Johansen cointegration results revealed that there is a long run relationship between GDP, manufacturing, service and employment. The Granger causality results revealed that there is a unidirectional causality running from manufacturing growth to GDP growth. The overall findings of the study confirm that Kaldor’s first law of growth is applicable in South African economy. Therefore, investment strategies and policies should be alignment towards promoting growth in the manufacturing sector in order to boost the economic growth of South Africa.

Keywords: Cointegration, economic growth, Kaldor’s law, manufacturing growth.

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Authors: Hsuan-Chia Yang, Yan-Jhih Haung, Yu-Chuan Li

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Researchers of drug-drug interaction alert systems have often suggested that there were high overridden rate for alerts and also too false alerts. However, research about decreasing false alerts is scant. Therefore, the aim of this article attempts to proactive identification of false alert for drug-drug interaction and provide solution to decrease false alerts. This research involved retrospective analysis prescribing database and calculated false alert rate by using MYSQL and JAVA. Results of this study showed 17% of false alerts and the false alert rate in the hospitals (37%) was more than in the clinics. To conclude, this study described the importance that drug-drug interaction alert system should not only detect drug name but also detect frequency or route, as well as in providing solution to decrease false alerts.

Keywords: drug-drug interaction, proactive identification, false alert

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Authors: Yongkun Li, Meng Hu

Abstract:

A stage-structured predator-prey system with two time delays is considered. By analyzing the corresponding characteristic equation, the local stability of a positive equilibrium is investigated and the existence of Hopf bifurcations is established. Formulae are derived to determine the direction of bifurcations and the stability of bifurcating periodic solutions by using the normal form theory and center manifold theorem. Numerical simulations are carried out to illustrate the theoretical results. Based on the global Hopf bifurcation theorem for general functional differential equations, the global existence of periodic solutions is established.

Keywords: Predator-prey system, stage structure, time delay, HOPF bifurcation, periodic solution, stability.

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Authors: Axel Panning, Robert Niese, Ayoub Al-Hamadi, Bernd Michaelis

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The segmentation of mouth and lips is a fundamental problem in facial image analyisis. In this paper we propose a method for lip segmentation based on rg-color histogram. Statistical analysis shows, using the rg-color-space is optimal for this purpose of a pure color based segmentation. Initially a rough adaptive threshold selects a histogram region, that assures that all pixels in that region are skin pixels. Based on that pixels we build a gaussian model which represents the skin pixels distribution and is utilized to obtain a refined, optimal threshold. We are not incorporating shape or edge information. In experiments we show the performance of our lip pixel segmentation method compared to the ground truth of our dataset and a conventional watershed algorithm.

Keywords: Feature extraction, Segmentation, Image processing, Application

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Authors: Sinchul Back, Sun Ho Kim, Jennifer LaPrade, Ilju Seong

Abstract:

Due to the advantage of using the Internet, cybercriminals can reach target(s) without border controls. Prior research on criminology and crime science has largely been void of empirical studies on journey-to-cybercrime and crime opportunity. Thus, the purpose of this study is to understand more about cyber offender spatial decision making associated with crime opportunity factors (i.e., co-offending, offender-stranger). Data utilized in this study were derived from 306 U.S. Federal court cases of cybercrime. The findings of this study indicated that there was a positive relationship between co-offending and journey-to-cybercrime, whereas there was no link between offender-stranger and journey-to-cybercrime. Also, the results showed that there was no relationship between cybercriminal sex, age, and journey-to-cybercrime. The policy implications and limitations of this study are discussed.

Keywords: Co-offending, crime opportunity, journey-to-cybercrime, offender-stranger.

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Authors: Anam Azam, Muhammad Rafiq

Abstract:

The study identified the socio-economic and demographic factors of both married and unmarried females in third world countries. Almost all the countries have same problems but we have selected Pakistan as a sample country. The main purpose of this study was to examine which factors forced women to participate in labor market. So the best technique of data collection was survey of both married and unmarried females between the ages of 20 to 49. Two models (probit and logit) were used to analyze the factors which effect on FLFP. The result showed that some factors e.g. age; education and marital status have significant effect on FLFP. The findings showed that educated women and those who belong to joint families are more participate because of financial pressure.

Keywords: Education, Financial status, Family pressure Labor Market participation.

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Authors: Avadhesh Yadav, Manoj Kumar, Balram

Abstract:

A solar powered air heating system using parabolic trough collector was experimentally investigated. In this experimental setup, the reflected solar radiations were focused on absorber tube which was placed at focal length of the parabolic trough. In this setup, air was used as working fluid which collects the heat from absorber tube. To enhance the performance of parabolic trough, collector with different type of reflectors were used. It was observed For Aluminum sheet maximum temperature is 52.3ºC, which 24.22% more than steel sheet as reflector and 8.5% more than Aluminum foil as reflector, also efficiency by using Aluminum sheet as reflector compared to steel sheet as reflector is 61.18% more. Efficiency by using Aluminum sheet as reflector compared to Aluminum foil as reflector is 18.98% more.

Keywords: Parabolic trough collector, Reflectors, Air flow rates.

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Authors: G. Meccariello, L. Della Ragione

Abstract:

The exposure to outdoor air pollution causes lung cancer and increases the risk of bladder cancer. Because air pollution in urban areas is mainly caused by transportation, it is necessary to evaluate pollutant exhaust emissions from vehicles during their realworld use. Nevertheless their evaluation and reduction is a key problem, especially in the cities, that account for more than 50% of world population. A particular attention was given to the slope variability along the streets during each journey performed by the instrumented vehicle. In this paper we dealt with the problem of describing a quantitatively approach for the reconstruction of GPS coordinates and altitude, in the context of correlation study between driving cycles / emission / geographical location, during an experimental campaign realized with some instrumented cars. Finally the slope analysis can be correlated to the emission and consumption values in a specific road position, and it could be evaluated its influence on their behaviour.

Keywords: Air pollution, Driving cycles, GPS signal, Slope, Emission factor, fuel consumption.

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Authors: C. Ardil

Abstract:

The selection of an Unmanned Aerial Vehicle (UAV) involves complex decision-making due to the evaluation of numerous alternatives and criteria simultaneously. This process necessitates the consideration of various factors such as payload capacity, maximum speed, endurance, altitude, avionics systems, price, economic life, and maximum range. This study aims to determine the most suitable UAV by taking these criteria into account. To achieve this, the standard fuzzy set methodology is employed, enabling decision-makers to define linguistic terms as references. A practical numerical example is provided to demonstrate the applicability of the proposed approach. Through a successful application, a comparison of different UAVs is conducted, culminating in the selection of the most appropriate vehicle during the final stage.

Keywords: Standard fuzzy sets (SFSs), Unmanned Aerial Vehicle (UAV) selection, multiple criteria decision making, MCDM

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Authors: G. Lindemann, D. Schmidt, T. Schrader, M. Beil, T. Schaaf, H.-D. Burkhard

Abstract:

The amount and heterogeneity of data in biomedical research, notably in interdisciplinary research, requires new methods for the collection, presentation and analysis of information. Important data from laboratory experiments as well as patient trials are available but come out of distributed resources. The Charite Medical School in Berlin has established together with the German Research Foundation (DFG) a new information service center for kidney diseases and transplantation (Open European Nephrology Science Centre - OpEN.SC). The system is based on a service-oriented architecture (SOA) with main and auxiliary modules arranged in four layers. To improve the reuse and efficient arrangement of the services the functionalities are described as business processes using the standardised Business Process Execution Language (BPEL).

Keywords: Software development management, Business dataprocessing, Knowledge based systems in medicine

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Authors: Vitoldas Vaitkevičius, Evaldas Šerelis

Abstract:

Silica fume, also known as microsilica (MS) or  condensed silica fume is a by-product of the production of silicon  metal or ferrosilicon alloys. Silica fume is one of the most effective  pozzolanic additives which could be used for ultrahigh performance  and other types of concrete. Despite the fact, however is not entirely  clear, which amount of silica fume is most optimal for UHPC. Main  objective of this experiment was to find optimal amount of silica  fume for UHPC with and without thermal treatment, when different  amount of quartz powder is substituted by silica fume. In this work  were investigated four different composition of UHPC with different  amount of silica fume. Silica fume were added 0, 10, 15 and 20% of  cement (by weight) to UHPC mixture. Optimal amount of silica fume  was determined by slump, viscosity, qualitative and quantitative  XRD analysis and compression strength tests methods.

Keywords: Compressive strength, silica fume, ultrahigh performance concrete, XRD.

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Authors: Jeevan Malayan, Aparna Warrier, Padmasani Venkat Ramanan, Sanjeeva Reddy N, Elanchezhiyan Manickan

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MMR vaccine failure had been reported globally and here we report that it occurs now in India. Samples were collected from clinically suspected mumps cases were subjected for anti mumps antibodies, virus isolation, RT-PCR, sequencing and phylogenetic tree analysis. 56 samples collected from men and women belonging to various age groups. 30 had been vaccinated and the status of 26 patients was unknown. 28 out of 30 samples were found to be symptomatic and positive for Mumps IgM, indicating active mumps infection in 93.4% of the vaccinated population. A phylogenetic tree comparison of the clinical isolate is shown to be genotype C which is distinct from vaccine strain. Our study clearly sending warning signs that MMR vaccine is a failure and it needs to be revamped for the human use by increasing its efficacy and efficiency.

Keywords: Genotype C, Mumps virus, MMR vaccine, Sero types.

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Authors: M. Behbahani-Nejad, Y. Shekari

Abstract:

A reduced order modeling approach for natural gas transient flow in pipelines is presented. The Euler equations are considered as the governing equations and solved numerically using the implicit Steger-Warming flux vector splitting method. Next, the linearized form of the equations is derived and the corresponding eigensystem is obtained. Then, a few dominant flow eigenmodes are used to construct an efficient reduced-order model. A well-known test case is presented to demonstrate the accuracy and the computational efficiency of the proposed method. The results obtained are in good agreement with those of the direct numerical method and field data. Moreover, it is shown that the present reduced-order model is more efficient than the conventional numerical techniques for transient flow analysis of natural gas in pipelines.

Keywords: Eigenmode, Natural Gas, Reduced Order Modeling, Transient Flow.

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Authors: Jiří Barta

Abstract:

The paper deals with results of a project “Interoperability Workplaces to Support Teaching of Security Management in a Computer Network". This project is focused on the perspectives and possibilities of "new approaches" to education, training and crisis communication of rescue teams in the Czech Republic. It means that common technologies considering new perspectives are used to educate selected members of crisis management. The main part concentrates on possibilities of application of new technology and computer-aided tools to education and training of Integrated Rescue System teams.This project uses the COST principle for the creation of specialized centers and for all communication between these workplaces.

Keywords: Communication of Crisis Management, Information System, Interoperability, specializedcenter, Security Oriented Information System.

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Authors: S. H. R. Lo

Abstract:

Virtual engineering technology has undergone rapid progress in recent years and is being adopted increasingly by manufacturing companies of many engineering disciplines. There is an increasing demand from industry for qualified virtual engineers. The qualified virtual engineers should have the ability of applying engineering principles and mechanical design methods within the commercial software package environment. It is a challenge to the engineering education in universities which traditionally tends to lack the integration of knowledge and skills required for solving real world problems. In this paper, a case study shows some recent development of a MSc Mechanical Engineering course at Department of Engineering and Technology in MMU, and in particular, two units Simulation of Mechanical Systems(SMS) and Computer Aided Fatigue Analysis(CAFA) that emphasize virtual engineering education and promote integration of knowledge acquisition, skill training and industrial application.

Keywords: Computational modelling and simulation, mechanical engineering education.

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Authors: B. Kuiper

Abstract:

When Dwight D. Eisenhower delivered his final Presidential speech in 1961, he was using the opportunity to bid farewell to America, but he was also trying to warn his fellow countrymen about deeper challenges threatening the country. In this analysis, Eisenhower’s speech is examined in light of the impact it had on American culture, communication concepts, and political ramifications. The paper initially highlights the previous literature on the speech, especially in light of its 50^th anniversary, and reveals a man whose main concern was how the speech’s words would affect his beloved country. The painstaking approach to the wording of the speech to reveal the intent is key, particularly in light of analyzing the motivations according to “virtuous communication.” This philosophical construct indicates that Eisenhower’s Farewell Address was crafted carefully according to a departing President’s deepest values and concerns, concepts that he wanted to pass along to his successor, to his country, and even to the world.

Keywords: Eisenhower, mass communication, political speech, rhetoric.

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Authors: Duangsamorn Rungsawanpho

Abstract:

The objectives of this paper are to explore the corporate cultures management as determinants of employee retention company in Thailand. This study using mixed method methodology. Data collection using questionnaires and in-depth interviews. The statistics used for data analysis were percentage, mean, standard deviation and inferential statistics will include. The results show that the corporate management culture is perfect for any organization but it depends on the business and the industry because the situations or circumstances that corporate executives are met is different. Because the finding explained that the employees of the company determine the achievement of value-oriented by the corporate culture and international relations is perceived most value for their organizations. In additional we found the employees perceiving with participation can be interpreted as a positive example, many employees feel that they are part of management because they care about their opinions or ideas related with their work.

Keywords: Corporate culture, employee retention, retention of employees, management approaches.

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Authors: Bishnupriya Sahoo, Prasad K. Bhaskaran

Abstract:

Tropical cyclone is one among the worst natural hazards that results in a trail of destruction causing enormous damage to life, property, and coastal infrastructures. In a global perspective, the Indian Ocean is considered as one of the cyclone prone basins in the world. Specifically, the frequency of cyclogenesis in the Bay of Bengal is higher compared to the Arabian Sea. Out of the four maritime states in the East coast of India, Odisha is highly susceptible to tropical cyclone landfall. Historical records clearly decipher the fact that the frequency of cyclones have reduced in this basin. However, in the recent decades, the intensity and size of tropical cyclones have increased. This is a matter of concern as the risk and vulnerability level of Odisha coast exposed to high wind speed and gusts during cyclone landfall have increased. In this context, there is a need to assess and evaluate the severity of coastal risk, area of exposure under risk, and associated vulnerability with a higher dimension in a multi-risk perspective. Changing climate can result in the emergence of a new hazard and vulnerability over a region with differential spatial and socio-economic impact. Hence there is a need to have coastal vulnerability projections in a changing climate scenario. With this motivation, the present study attempts to estimate the destructiveness of tropical cyclones based on Power Dissipation Index (PDI) for those cyclones that made landfall along Odisha coast that exhibits an increasing trend based on historical data. The study also covers the futuristic scenarios of integral coastal vulnerability based on the trends in PDI for the Odisha coast. This study considers 11 essential and important parameters; the cyclone intensity, storm surge, onshore inundation, mean tidal range, continental shelf slope, topo-graphic elevation onshore, rate of shoreline change, maximum wave height, relative sea level rise, rainfall distribution, and coastal geomorphology. The study signifies that over a decadal scale, the coastal vulnerability index (CVI) depends largely on the incremental change in variables such as cyclone intensity, storm surge, and associated inundation. In addition, the study also performs a critical analysis on the modulation of PDI on storm surge and inundation characteristics for the entire coastal belt of Odisha State. Interestingly, the study brings to light that a linear correlation exists between the storm-tide with PDI. The trend analysis of PDI and its projection for coastal Odisha have direct practical applications in effective coastal zone management and vulnerability assessment.

Keywords: Bay of Bengal, coastal vulnerability index, power dissipation index, tropical cyclone.

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Authors: M. B. El_Mashade, I. I. Mahamoud, M. S. El_Tokhy

Abstract:

Improving the performance of the QCL through block diagram as well as mathematical models is the main scope of this paper. In order to enhance the performance of the underlined device, the mathematical model parameters are used in a reliable manner in such a way that the optimum behavior was achieved. These parameters play the central role in specifying the optical characteristics of the considered laser source. Moreover, it is important to have a large amount of radiated power, where increasing the amount of radiated power represents the main hopping process that can be predicted from the behavior of quantum laser devices. It was found that there is a good agreement between the calculated values from our mathematical model and those obtained with VisSim and experimental results. These demonstrate the strength of mplementation of both mathematical and block diagram models.

Keywords: Quantum Cascaded Lasers (QCLs), Modeling, Block Diagram Programming, Intersubband transitions

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Authors: Dalibor Štys, Dalibor Štys Jr., Jana Pečenková, Kryštof M. Štys, Maryia Chkalova, Petr Kouba, Aliaksandr Pautsina, Denis Durniev, Tomáš Náhlík, Petr Císař

Abstract:

In this article is reported a construction and some properties of the 5iD viewer, the system recording simultaneously 5 views of a given experimental object. Properties of the system are demonstrated on the analysis of fish schooling behaviour. It is demonstrated the method of instrument calibration which allows inclusion of image distortion and it is proposed and partly tested also the method of distance assessment in the case that only two opposite cameras are available. Finally, we demonstrate how the state trajectory of the behaviour of the fish school may be constructed from the entropy of the system.

Keywords: 3D positioning, school behavior, distance calibration, space vision, space distortion.

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Authors: Salem El-tohami Ashoor

Abstract:

Here, we have shown the reaction of [Cr(ArN(CH2)3NAr)2Cl2] (1) where (Ar = 2,6-Pri 2C6H3) and in presence of NaCp (2) (Cp= C5H5 = cyclopentadien), with a center coordination η5 interaction between Cp as co-ligand and chromium metal center, for optimization we used density functional theory (DFT), under methods, explicitly including electrons correlations, for the final calculations as MB3LYP (Becke) (Lee–Yang–Parr) level of theory we used to obtain more exact results. This complex was calculated as electronic energy for molecular system, because the calculation accounting all electrons correlations interactions. The optimised of [Cr(ArN(CH2)3NAr)2(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp = C5H5) was found to be thermally stable. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Chromium (III) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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