Search results for: print and electronic media

Authors: Makhlouf Mourad, Medkour Mihoub, Bouchher Omar, Messabih Sidi Mohamed, Benrachedi Khaled

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This work is the modeling and simulation of fluid flow (liquid) through porous media. This type of flow occurs in many situations of interest in applied sciences and engineering, fluid (oil) consists of several individual substances in pure, single-phase flow is incompressible and isothermal. The porous medium is isotropic, homogeneous optionally, with the rectangular format and the flow is two-dimensional. Modeling of hydrodynamic phenomena incorporates Darcy's law and the equation of mass conservation. Correlations are used to model the density and viscosity of the fluid. A finite volume code is used in the discretization of differential equations. The nonlinearity is treated by Newton's method with relaxation coefficient. The results of the simulation of the pressure and the mobility of liquid flowing through porous media are presented, analyzed, and illustrated.

Keywords: Darcy equation, middle porous, continuity equation, Peng Robinson equation, mobility.

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Authors: Gavin J. Baxter, Mark H. Stansfield

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This paper reviews the internal use of blogs and their potential effectiveness as organisational learning tools. Since the emergence of the concept of ‘Enterprise 2.0’ there remains a lack of empirical evidence associated with how organisations are applying social media tools and whether they are effective towards supporting organisational learning. Surprisingly, blogs, one of the more traditional social media tools, still remains under-researched in the context of ‘Enterprise 2.0’ and organisational learning. The aim of this paper is to identify the theoretical linkage between blogs and organisational learning in addition to reviewing prior research on organisational blogging exploring why this area remains underresearched. Through a literature review, one of the principal findings of this paper is that organisational blogs have a mutual compatibility with the interpretivist aspect of organisational learning. This paper further advocates that further empirical work in this subject area is required to substantiate this theoretical assumption.

Keywords: Blogs, Enterprise 2.0, Organisational Learning, Social Media Tools.

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Authors: Ayşe Eldem, Fatih Başçiftçi

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Braille alphabet is an important tool that enables visually impaired individuals to have a comfortable life like those who have normal vision. For this reason, new applications related to the Braille alphabet are being developed. In this study, a new Refreshable Braille Display was developed to help visually impaired individuals learn the Braille alphabet easier. By means of this system, any text downloaded on a computer can be read by the visually impaired individual at that moment by feeling it by his/her hands. Through this electronic device, it was aimed to make learning the Braille alphabet easier for visually impaired individuals with whom the necessary tests were conducted.

Keywords: Visually Impaired Individual, Braille, Braille Display, Refreshable Braille Display, USB.

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Authors: Nasser Alkorbi, Manuel Hernández-Pérez, Seamus Simpson

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Twitter is a platform service that has quickly risen to prominence as the social media platform most preferred for strategic communication campaigns. It is used by most of the Non-Profit Organizations (NPO) in Saudi Arabia, making it the most popular social media platform in the country. Non-Profit Organizations (NPOs) use Twitter to raise awareness of social issues and to communicate with stakeholders. Despite the features Twitter has recently introduced, this paper investigates how NPOs (Foodbanks) in Saudi Arabia use Twitter to raise awareness of food waste, as well as their posting behaviour over a two-year period. By the end of the research, we were able to provide a framework for using Twitter which new or existing NPOs can adopt, as well as helping NPOs (Foodbanks) to recognize and become aware of the impact of Twitter.

Keywords: Awareness, food banks, food waste, Saudi Arabia, social media, Twitter.

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Authors: Chih-Hsiang Chang, Pei-Shan Kao

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This paper discusses the reaction of investors in the Taiwan stock market to the most probable unknown earnings-related information and the most probable known earnings-related information. As compared with the previous literature regarding the effect of an official announcement of earnings forecast revision, this paper further analyzes investors’ cognitive bias toward the unknown and known earnings-related information, and the role of media during the investors' reactions to the foresaid information shocks. The empirical results show that both the unknown and known earnings-related information provides useful information content for a stock market. In addition, cognitive bias and disposition effect are the behavioral pitfalls that commonly occur in the process of the investors' reactions to the earnings-related information. Finally, media coverage has a remarkable influence upon the investors' trading decisions.

Keywords: Cognitive bias, role of media, disposition effect, earnings-related information, behavioral pitfall.

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Authors: Martin H¨ausl, Maximilian Auch, Johannes Forster, Peter Mandl, Alexander Schill

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In order to survive on the market, companies must constantly develop improved and new products. These products are designed to serve the needs of their customers in the best possible way. The creation of new products is also called innovation and is primarily driven by a company’s internal research and development department. However, a new approach has been taking place for some years now, involving external knowledge in the innovation process. This approach is called open innovation and identifies customer knowledge as the most important source in the innovation process. This paper presents a concept of using social media posts as an external source to support the open innovation approach in its initial phase, the Ideation phase. For this purpose, the social media posts are semantically structured with the help of an ontology and the authors are evaluated using graph-theoretical metrics such as density. For the structuring and evaluation of relevant social media posts, we also use the findings of Natural Language Processing, e. g. Named Entity Recognition, specific dictionaries, Triple Tagger and Part-of-Speech-Tagger. The selection and evaluation of the tools used are discussed in this paper. Using our ontology and metrics to structure social media posts enables users to semantically search these posts for new product ideas and thus gain an improved insight into the external sources such as customer needs.

Keywords: Idea ontology, innovation management, open innovation, semantic search.

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Authors: Iva Nedelcheva

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This study is part of a doctoral thesis on the topic of Hyperfiction: Past, Present and Future of Storytelling through Hypertext. It explores in depth the impact of transmedia storytelling and the role of hypertext in the realm of the currently popular social media phenomenon Pokémon GO. Storytelling is a powerful method to engage and unite people. Moreover, the technology progress adds a whole new angle to the method, with hypertext and cross-platform sharing that enhance the traditional storytelling so much that transmedia storytelling gives unlimited opportunities to affect the everyday life of people across the globe. This research aims at examining the transmedia storytelling approach in Pokémon GO, and explaining how that contributed to its establishment as a massive worldwide hit in less than a week. The social engagement is investigated in all major media platforms, including traditional and online media channels. Observation and content analyses are reported in this paper to form the conclusion that transmedia storytelling with the input of hypertext has a promising future as a method of establishing a productive and rewarding communication strategy.

Keywords: Communication, hypertext, Pokémon GO, storytelling, transmedia.

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Authors: Sabriye Piskin, Sibel Kasap, Muge Sari Yilmaz

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Nanocrystalline TiO₂ particles were successfully synthesized via sol-gel and sonochemical combination using titanium tetraisopropoxide as a precursor at lower temperature for a short time. The effect of the reaction parameters (hydrolysis media, acid media, and reaction temperatures) on the synthesis of TiO₂ particles were investigated in the present study. Characterizations of synthesized samples were prepared by X-ray diffraction (XRD) analysis. It was shown that the reaction parameters played a significant role in the synthesis of TiO₂ particles.

Keywords: Crystalline TiO2, sonochemical mechanism, sol-gel reaction.

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Authors: Esyin Chew, Haydn Blackey

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There are increasingly plagiarism offences for students in higher education in the digital educational world. On the other hand, various and competitive online assessment and plagiarism detection tools are available in the market. Taking the University of Glamorgan as a case study, this paper describes and introduces an institutional journey on electronic plagiarism detection to inform the initial experience of an innovative tool and method which could be further explored in the future research. The comparative study and system workflow for e-plagiarism detection tool are discussed. Benefits for both academics and students are also presented. Electronic plagiarism detection tools brought great benefits to both academics and students in Glamorgan. On the other hand, the debates raised in such initial experience are discussed.

Keywords: Educational Technology, Plagiarism detection, Turnitin

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Authors: Linh Thi Truc Doan, Yousef Amer, Sang-Heon Lee, Phan Nguyen Ky Phuc

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During the last few decades, with the high-speed upgrade of electronic products, electronic waste (e-waste) has become one of the fastest growing wastes of the waste stream. In this context, more efforts and concerns have already been placed on the treatment and management of this waste. To mitigate their negative influences on the environment and society, it is necessary to establish appropriate strategies for e-waste management. Hence, this paper aims to review and analysis some useful strategies which have been applied in several countries to handle e-waste. Future perspectives on e-waste management are also suggested. The key findings found that, to manage e-waste successfully, it is necessary to establish effective reverse supply chains for e-waste, and raise public awareness towards the detrimental impacts of e-waste. The result of the research provides valuable insights to governments, policymakers in establishing e-waste management in a safe and sustainable manner.

Keywords: E-waste, e-waste management, life cycle assessment, recycling regulations.

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Authors: Chantana Insra

Abstract:

The main purpose of this research aimed to create tactile texture designed media for the blind used for extra learning outside classrooms in order to enhance imagination of the blind about Himmapan creatures, furthermore, the main objective of the research focused on improving the visual disabled perception to be equal to normal people. The target group of the research is blinded students studying in The Bangkok school for the blind between grade 4-6 in the second semester of 2011 who are able to read the braille language. The research methodology consisted of the field study and the documentary study related to the blind, tactile texture designed media and Himmapan creatures. 10 pictures of tactile texture designed media were created in the designing process which began after the analysis had conducted based the primary and secondary data. The works had presented to experts in the visual disabled field who evaluated the works. After approval, the works used as prototype to teach the blind. KeywordsBlind, Himmapan Creatures, Tactile Texture.

Keywords: Blind, Himmapan Creatures, Tactile Texture.

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Authors: H. Sezgin, S. Kursun Bahadır, Y. E. Boke, F. Kalaoğlu

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By textile science incorporating with electronic industry, developed textile products start to take part in different areas such as industry, military, space, medical etc. for health, protection, defense, communication and automation. Electronic textiles (e-textiles) are fabrics that contain electronics and interconnections with them. In this study, two types of base yarns (cotton and acrylic) and three types of conductive steel yarns with different linear resistance values (14Ω/m, 30Ω/m, 70Ω/m) were used to investigate the effect of base yarn type and linear resistance of conductive yarns on thermal behavior of e-textile structures. Thermal behavior of samples was examined by thermal camera.

Keywords: Conductive yarn, e-textiles, smart textiles, thermal analysis.

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Authors: Rajine Swetha R, B. Shekar Babu, Sumithra Devi K.A

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Electronic Systems are the core of everyday lives. They form an integral part in financial networks, mass transit, telephone systems, power plants and personal computers. Electronic systems are increasingly based on complex VLSI (Very Large Scale Integration) integrated circuits. Initial electronic design automation is concerned with the design and production of VLSI systems. The next important step in creating a VLSI circuit is Physical Design. The input to the physical design is a logical representation of the system under design. The output of this step is the layout of a physical package that optimally or near optimally realizes the logical representation. Physical design problems are combinatorial in nature and of large problem sizes. Darwin observed that, as variations are introduced into a population with each new generation, the less-fit individuals tend to extinct in the competition of basic necessities. This survival of fittest principle leads to evolution in species. The objective of the Genetic Algorithms (GA) is to find an optimal solution to a problem .Since GA-s are heuristic procedures that can function as optimizers, they are not guaranteed to find the optimum, but are able to find acceptable solutions for a wide range of problems. This survey paper aims at a study on Efficient Algorithms for VLSI Physical design and observes the common traits of the superior contributions.

Keywords: Genetic Algorithms, Physical Design, VLSI.

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Authors: Hana Almakky, Reza Sahandi, Jacqui Taylor

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Social media continues to grow, and user interfaces may become more appealing if cultural characteristics are incorporated into their design. Facebook was designed in the west, and the original language was English. Subsequently, the words in the user interface were translated to other languages, including Arabic. Arabic words are written from right to left, and English is written from left to right. The translated version may misrepresent the original design and users’ preferences may be influenced by their culture, which should be considered in the user interface design. Previous research indicates that users are more comfortable when interacting with a user interface, which relates to their own culture. Therefore, this paper, using a survey, investigates the preferences of Saudi Arabians on the Arabic version of the user interface of Facebook.

Keywords: Culture, Facebook, Saudi Arabia, Social media, User Interface Design.

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Authors: Sachin Kumar, Vasilis Sotiris, Michael Pecht

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With increasing complexity in electronic systems there is a need for system level anomaly detection and fault isolation. Anomaly detection based on vector similarity to a training set is used in this paper through two approaches, one the preserves the original information, Mahalanobis Distance (MD), and the other that compresses the data into its principal components, Projection Pursuit Analysis. These methods have been used to detect deviations in system performance from normal operation and for critical parameter isolation in multivariate environments. The study evaluates the detection capability of each approach on a set of test data with known faults against a baseline set of data representative of such “healthy" systems.

Keywords: Mahalanobis distance, Principle components, Projection pursuit, Health assessment, Anomaly.

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Authors: Norraihan Zakaria, Abdul Rahman Othman

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Political blogs are one of the pivotal alternative communication channels for political news in Malaysia. Many have argued that the mushrooming of political blogs nurtures the effective realization of human rights in the country. The paper studies the ‘Malaysian political blog readers–human rights’ relationship by exploring these questions: Has traditional mainstream media become obsolete with the rise of political blogosphere? Why do blog readers visit political blogs? A survey was conducted and the findings revealed that traditional mainstream media is still a pertinent source for political news in the country. Apart from acquiring the latest political updates quickly and at anytime, blog readers compare the news published in political blogs with the ones reported in traditional mainstream media. This suggests that freedom of information is deemed as one of the prime motives for Malaysian blog readers clinging to political blogosphere.

Keywords: Freedom of information, Human rights, Malaysian political blog readers, Malaysian political blogosphere.

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Authors: Ming-Hua Fu

Abstract:

No negative control nor control to prevent microbes from escaping was set when the S-shaped flask experiments were performed by Pasteur. Microscope was not used to observe the media in the flasks. Louis Pasteur’s S-shaped flask experiment was re-examined by using U-shaped flasks, modified S-shaped flasks and microscope. A mixture of microbes was isolated from the room air, from which one rod-shaped Bacillus species with proposed name Bacillus gaso-mobilis sp nov and one grape-shaped Staphylococcus species with proposed name of Staphylococcus gaso-mobilis sp nov were identified. Their penicillin and ampicillin resistant strains containing plasmids were isolated. These bacteria could change color, produce odor and automatically move in the air. They did not form colonies on solid media. They had a high suspension capacity in liquid media. Their light absorbance peaked at the wave length of 320 nm.  It was concluded that there were flaws with Louis Pasteur’s S-shaped flask experiments. 

Keywords: Bacteria, gaso-mobile, re-examine, S-shaped flasks.

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Authors: Ian A. Grout

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In this paper, the design and development of a system to provide hand motion and gesture control of laboratory test equipment is considered and discussed. The Leap Motion controller is used to provide an input to control a laboratory power supply as part of an electronic circuit experiment. By suitable hand motions and gestures, control of the power supply is provided remotely and without the need to physically touch the equipment used. As such, it provides an alternative manner in which to control electronic equipment via a PC and is considered here within the field of human computer interaction (HCI).

Keywords: Control, hand gesture, human computer interaction, test equipment.

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Authors: H. Nakamura

Abstract:

This study analyzes international strategic alliances in the information industry. The purpose of this study is to clarify the strategic intention of an international alliance. Secondly, it investigates the influence of differences in the target markets of partner companies on alliances. Using an international strategy theory approach to analyze the global strategies of global companies, the study compares a database business and an electronic publishing business. In particular, these cases emphasized factors attributable to "people" and "learning", reliability and communication between organizations and the evolution of the IT infrastructure. The theory evolved in this study validates the effectiveness of these strategies.

Keywords: Database business, electronic library, international strategic alliances, partner selection.

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Authors: B. Al-Jenaibi

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The paper examines the Most public relations spots and advertisements dealing with drugs. For this reason, public service advertisements show Americans in activities with drugs and alcohol. The way that the advertisements are produced, viewers from the Middle East say these ads are not for them. They recognize the ads as strictly for Americans trying to overcome their problems with drugs and alcohol. Also, this paper explores the development of the advertisements which are ineffective in other cultures like the Islamic because the limited scope of the message does not have a major effect on the Islamic beliefs and practices.

Keywords: Arab media campaign, Middle easy Advertisements, Islamic culture and American campaigns.

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Authors: Hussam Elias, Ninovic Perez, Holger Hirsch

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With ever-increasing use of equipment, device or more generally any electrical or electronic system, the chance of Electromagnetic incompatibility incidents has considerably increased which demands more attention to ensure the possible risks of these technologies. Therefore, complying with certain Electromagnetic compatibility (EMC) rules and not overtaking an acceptable level of radiated emissions are utmost importance for the diffusion of electronic products. In this paper, developed measure tool and a convolutional neural network were used to propose a method to reduce the required time to carry out the final measurement phase of Electromagnetic interference (EMI) measurement according to the norm EN 55032 by predicting the radiated emission and determining the height of the antenna that meets the maximum radiation value.

Keywords: Antenna height, Convolutional Neural Network, Electromagnetic Compatibility, Mean Absolute Error, position error.

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Authors: Pat Nelson

Abstract:

Since the release of the 21^st century policing report in the United States, the techniques of de-escalation have received a lot of attention and focus in political systems, policy changes, and the media. The challenge in professional peace officer education is that there is a vast range of defining de-escalation and understanding the various techniques involved, many of which are based on popular media. This research surveyed professional peace officer education university students on their definition of de-escalation and the techniques associated with de-escalation before specific communications coursework was completed. The students were then surveyed after the communication coursework was completed to determine the changes in defining and understanding de-escalation techniques. This research has found that clearly defining de-escalation and emphasizing the broad range of techniques available enhances the students’ understanding and application of proper de-escalation. This research demonstrates the need for professional peace officer education to move students from media concepts of law enforcement to theoretical concepts.

Keywords: Criminal justice education, de-escalation, law enforcement, peace officer communications.

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Authors: Ryuya Uda

Abstract:

On existing online shopping on the web, SSL and password are usually used to achieve the secure trades. SSL shields communication from the third party who is not related with the trade, and indicates that the trader's web site is authenticated by one of the certification authority. Password certifies a customer as the same person who has visited the trader's web site before, and protects the customer's privacy such as what the customer has bought on the site. However, there is no forensics for the trades in those cased above. With existing methods, no one can prove what is ordered by customers, how many products are ordered and even whether customers have ordered or not. The reason is that the third party has to guess what were traded with logs that are held by traders and by customers. The logs can easily be created, deleted and forged since they are electronically stored. To enhance security with digital forensics for electronic commerce on the web, I indicate a secure method with cellular phones.

Keywords: Cellular Phone, Digital Forensics, ElectronicCommerce, Information Security

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Authors: S. Joseph Antony, Z. K. Jahanger

Abstract:

Soils are subjected to cyclic loading in situ in situations such as during earthquakes and in the compaction of pavements. Investigations on the local scale measurement of the displacements of the grain and failure patterns within the soil bed under the cyclic loading conditions are rather limited. In this paper, using the digital particle image velocimetry (DPIV), local scale displacement fields of a dense sand medium interacting with a rigid footing are measured under the plane-strain condition for two commonly used types of cyclic loading, and the quasi-static loading condition for the purposes of comparison. From the displacement measurements of the grains, the failure envelopes of the sand media are also presented. The results show that, the ultimate cyclic bearing capacity (qultcyc) occurred corresponding to a relatively higher settlement value when compared with that of under the quasi-static loading. For the sand media under the cyclic loading conditions considered here, the displacement fields in the soil media occurred more widely in the horizontal direction and less deeper along the vertical direction when compared with that of under the quasi-static loading. The 'dead zone' in the sand grains beneath the footing is identified for all types of the loading conditions studied here. These grain-scale characteristics have implications on the resulting bulk bearing capacity of the sand media in footing-sand interaction problems.

Keywords: Cyclic loading, DPIV, settlement, soil-structure interactions, strip footing.

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Authors: P. Wlodarczak, J. Soar, M. Ally

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The dramatic rise in the use of Social Media (SM) platforms such as Facebook and Twitter provide access to an unprecedented amount of user data. Users may post reviews on products and services they bought, write about their interests, share ideas or give their opinions and views on political issues. There is a growing interest in the analysis of SM data from organisations for detecting new trends, obtaining user opinions on their products and services or finding out about their online reputations. A recent research trend in SM analysis is making predictions based on sentiment analysis of SM. Often indicators of historic SM data are represented as time series and correlated with a variety of real world phenomena like the outcome of elections, the development of financial indicators, box office revenue and disease outbreaks. This paper examines the current state of research in the area of SM mining and predictive analysis and gives an overview of the analysis methods using opinion mining and machine learning techniques.

Keywords: Social Media, text mining, knowledge discovery, predictive analysis, machine learning.

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Authors: Rafal Michalski, Jakub Zygadlo

Abstract:

We present the concept and scientific methods and algorithms of our computation system called ATOMIC MATTERS. This is the first presentation of the new computer package, that allows its user to describe physical properties of atomic localized electron systems subject to electromagnetic interactions. Our solution applies to situations where an unclosed electron 2p/3p/3d/4d/5d/4f/5f subshell interacts with an electrostatic potential of definable symmetry and external magnetic field. Our methods are based on Crystal Electric Field (CEF) approach, which takes into consideration the electrostatic ligands field as well as the magnetic Zeeman effect. The application allowed us to predict macroscopic properties of materials such as: Magnetic, spectral and calorimetric as a result of physical properties of their fine electronic structure. We emphasize the importance of symmetry of charge surroundings of atom/ion, spin-orbit interactions (spin-orbit coupling) and the use of complex number matrices in the definition of the Hamiltonian. Calculation methods, algorithms and convention recalculation tools collected in ATOMIC MATTERS were chosen to permit the prediction of magnetic and spectral properties of materials in isostructural series.

Keywords: Atomic matters, crystal electric field, spin-orbit coupling, localized states, electron subshell, fine electronic structure.

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Authors: Ilya Kavalchuk, Mehdi Seyedmahmoudian, Ben Horan, Aman Than Oo, Alex Stojcevski

Abstract:

The power electronic components within Electric Vehicles (EV) need to operate in several important modes. Some modes directly influence safety, while others influence vehicle performance. Given the variety of functions and operational modes required of the power electronics, it needs to meet efficiency requirements to minimize power losses. Another challenge in the control and construction of such systems is the ability to support bidirectional power flow. This paper considers the construction, operation, and feasibility of available converters for electric vehicles with feasible configurations of electrical buses and loads. This paper describes logic and control signals for the converters for different operations conditions based on the efficiency and energy usage bases.

Keywords: Electric Vehicles, Electrical Machines Control, Power Electronics, Powerflow Regulations.

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Authors: K.Amrithavarshini, S.Chandrachudeswaran

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This paper presents an idea to improve the efficiency of security checks in airports through the active tracking and monitoring of passengers and staff using OFDM modulation technique and Finger print authentication. The details of the passenger are multiplexed using OFDM .To authenticate the passenger, the fingerprint along with important identification information is collected. The details of the passenger can be transmitted after necessary modulation, and received using various transceivers placed within the premises of the airport, and checked at the appropriate check points, thereby increasing the efficiency of checking. OFDM has been employed for spectral efficiency.

Keywords: Orthogonal Frequency Division Multiplexing, FFT Algorithm, Fingerprint Authentication, Airport Security

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Authors: N. Das, N. Samanta, L. Pandey, C. Roy Chaudhuri

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Early diagnosis of infection like Hep-B virus in blood is important for low cost medical treatment. For this purpose, it is desirable to develop a point of care device which should be able to detect trace quantities of the target molecule in blood. In this paper, we report a nanoporous silicon oxide sensor which is capable of detecting down to 1fM concentration of Hep-B surface antigen in blood without the requirement of any centrifuge or pre-concentration. This has been made possible by the presence of resonant peak in the sensitivity characteristics. This peak is observed to be dependent only on the concentration of the specific antigen and not on the interfering species in blood serum. The occurrence of opposite impedance change within the pores and at the bottom of the pore is responsible for this effect. An electronic interface has also been designed to provide a display of the virus concentration.

Keywords: Impedance spectroscopy, Ultrasensitive detection in blood, Peak frequency, Electronic interface.

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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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