Search results for: quantum computer

Authors: Salah Menouar, Sara Hassoul

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The dynamic of time-dependent three coupled oscillators is studied through an approach based on decoupling of them using the unitary transformation method. From a first unitary transformation, the Hamiltonian of the complicated original system is transformed to an equal but a simple one associated with the three coupled oscillators of which masses are unity. Finally, we diagonalize the matrix representation of the transformed hamiltonian by using a unitary matrix. The diagonalized Hamiltonian is just the same as the Hamiltonian of three simple oscillators. Through these procedures, the coupled oscillatory subsystems are completely decoupled. From this uncouplement, we can develop complete dynamics of the whole system in an easy way by just examining each oscillator independently. Such a development of the mechanical theory can be done regardless of the complication of the parameters' variations.

Keywords: schrödinger equation, hamiltonian, time-dependent three coupled oscillators, unitary transformation

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Authors: Feng Wang, Vladislav Vasilyev

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Ferrocene (Fe(C5H5)2, i.e., di-cyclopentadienyle iron (FeCp2) or Fc) is a unique example of ‘wrong but seminal’ in chemistry history. It has significant applications in a number of areas such as homogeneous catalysis, polymer chemistry, molecular sensing, and nonlinear optical materials. However, the ‘molecular carousel’ has been a ‘notoriously difficult example’ and subject to long debate for its conformation and properties. Ferrocene is a dynamic molecule. As a result, understanding of the dynamical properties of ferrocene is very important to understand the conformational properties of Fc. In the present study, molecular dynamic (MD) simulations are performed. In the simulation, we use 5 geometrical parameters to define the overall conformation of Fc and all the rest is a thermal noise. The five parameters are defined as: three parameters d---the distance between two Cp planes, α and δ to define the relative positions of the Cp planes, in which α is the angle of the Cp tilt and δ the angle the two Cp plane rotation like a carousel. Two parameters to position the Fe atom between two Cps, i.e., d1 for Fe-Cp1 and d2 for Fe-Cp2 distances. Our preliminary MD simulation discovered the five parameters behave differently. Distances of Fe to the Cp planes show that they are independent, practically identical without correlation. The relative position of two Cp rings, α, indicates that the two Cp planes are most likely not in a parallel position, rather, they tilt in a small angle α≠ 0°. The mean plane dihedral angle δ ≠ 0°. Moreover, δ is neither 0° nor 36°, indicating under those conditions, Fc is neither in a perfect eclipsed structure nor a perfect staggered structure. The simulations show that when the temperature is above 80K, the conformers are virtually in free rotations, A very interesting result from the MD simulation is the five C-Fe bond distances from the same Cp ring. They are surprisingly not identical but in three groups of 2, 2 and 1. We describe the pentagon formed by five carbon atoms as ‘turtle swimming’ for the motion of the Cp rings of Fc as shown in their dynamical animation video. The Fe- C(1) and Fe-C(2) which are identical as ‘the turtle back legs’, Fe-C(3) and Fe-C(4) which are also identical as turtle front paws’, and Fe-C(5) ---’the turtle head’. Such as ‘turtle swimming’ analog may be able to explain the single substituted derivatives of Fc. Again, the mean Fe-C distance obtained from MD simulation is larger than the quantum mechanically calculated Fe-C distances for eclipsed and staggered Fc, with larger deviation with respect to the eclipsed Fc than the staggered Fc. The same trend is obtained for the five Fe-C-H angles from same Cp ring of Fc. The simulated mean IR spectrum at 7K shows split spectral peaks at approximately 470 cm-1 and 488 cm-1, in excellent agreement with quantum mechanically calculated gas phase IR spectrum for eclipsed Fc. As the temperature increases over 80K, the clearly splitting IR spectrum become a very board single peak. Preliminary MD results will be presented.

Keywords: ferrocene conformation, molecular dynamics simulation, conformer orientation, eclipsed and staggered ferrocene

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Authors: Tulasi Rayasa, Phani Kumar Pullela

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A systematic review is a research method that involves collecting and evaluating the information on a specific topic in order to provide a comprehensive and unbiased review. This type of review aims to improve the software development process by ensuring that the research is thorough and accurate. To ensure objectivity, it is important to follow systematic guidelines and consider multiple sources, such as literature reviews, interviews, and surveys. The evaluation process should also be streamlined by incorporating research from journals and other sources, such as grey literature. The main goal of a systematic review is to identify the consistency of current models in the field of computer application and software engineering.

Keywords: computer application, software engineering, process research, data science

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Authors: Mosaad Hamouda, Kamal Khalaf, Zaker Mousa

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National projects are considered Egypt's future vision in investing its various resources and the best way to bring about a developmental renaissance that constitutes a quantum leap because of its developmental impact on the planning regions, which it achieves in attracting and localizing investments to achieve urban development, and what this has a noticeable impact on dividing those regions in order to achieve a developmental balance or at least reduce the severity of the disparities between them, by measuring the impact of these projects, which appear in the per capita share of the various developmental variables, and also analyzing global and local experiences so that a balanced division of the country’s regions can be reached, and the research finds a set of planning foundations that are compatible with the settlement of these national projects in the future.

Keywords: national projects, regional development, division of regions, development disparities

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Authors: Zoja Raud, Valery Vodovozov

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Modelling and simulation provide effective way to acquire engineering experience. An active approach to modelling and simulation proposed in the paper involves, beside the compulsory part directed by the traditional step-by-step instructions, the new optional part basing on the human’s habits to design thus stimulating the efforts towards success in active learning. Computer exercises as a part of engineering curriculum incorporate a set of effective activities. In addition to the knowledge acquired in theoretical training, the described educational arrangement helps to develop problem solutions, computation skills, and experimentation performance along with enhancement of practical experience and qualification.

Keywords: modelling, simulation, engineering education, electronics, active learning

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Authors: Yogesh Kumar Tiwari

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Chhattisgarh has realized the fundamental role of information and communication technology in the globalized world where knowledge is at the top for the growth and intellectual development. They are spreading so widely that one feels lagging behind if not using them. The influence of these radiating and technological tools has encompassed all aspects of the educational, business, and economic sectors of our world. Undeniably the computer has not only established itself globally in all walks of life but has acquired a fundamental role of paramount importance in the educational process also. This role is getting all pervading and more powerful as computers are being manufactured to be cheaper, smaller in size, adaptable and easy to handle. Computers are becoming indispensable to teachers because of their enormous capabilities and extensive competence. This study aims at observing the effect of using computer based software program of English language on the achievement of undergraduate level students studying in tribal area like Sarguja Division, Chhattisgarh, India. To testify the effect of an innovative teaching in the graduate classroom in tribal area 50 students were randomly selected and separated into two groups. The first group of 25 students were taught English grammar i.e., passive voice/narration, through traditional method using chalk and blackboard asking some formal questions. The second group, the experimental one, was taught English grammar i.e., passive voice/narration, using computer, projector with power point presentation of grammatical items. The statistical analysis was done on the students’ learning capacities and achievement. The result was extremely mesmerizing not only for the teacher but for taught also. The process of the recapitulation demonstrated that the students of experimental group responded the answers of the questions enthusiastically with innovative sense of learning. In light of the findings of the study, it was recommended that teachers and professors of English ought to use self-made instructional program in their teaching process particularly in tribal areas.

Keywords: achievement computer assisted language learning, use of instructional program

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Authors: Rafael Marinho de Andrade, Elcio Hideti Shiguemori, Rafael Duarte Coelho dos Santos

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Relying on computer vision, many clever things are possible in order to make the world safer and optimized on resource management, especially considering time and attention as manageable resources, once the modern world is very abundant in cameras from inside our pockets to above our heads while crossing the streets. Thus, automated solutions based on computer vision techniques to detect, react, or even prevent relevant events such as robbery, car crashes and traffic jams can be accomplished and implemented for the sake of both logistical and surveillance improvements. In this paper, we present an approach for vehicles’ abnormal behaviors detection from highway footages, in which the vectorial data of the vehicles’ displacement are extracted directly from surveillance cameras footage through object detection and tracking with a deep convolutional neural network and inserted into a long-short term memory neural network for behavior classification. The results show that the classifications of behaviors are consistent and the same principles may be applied to other trackable objects and scenarios as well.

Keywords: artificial intelligence, behavior detection, computer vision, convolutional neural networks, LSTM, highway footage

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Authors: Sarantos Psycharis

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Physical Computing, as an instructional model, is applied in the framework of the Engineering Pedagogy to teach “transversal/cross-cutting ideas” in a STEM content approach. Labview and Arduino were used in order to connect the physical world with real data in the framework of the so called Computational Experiment. Tertiary prospective engineering educators were engaged during their course and Computational Thinking (CT) concepts were registered before and after the intervention across didactic activities using validated questionnaires for the relationship between self-efficacy, computer programming, and CT concepts when STEM content epistemology is implemented in alignment with the Computational Pedagogy model. Results show a significant change in students’ responses for self-efficacy for CT before and after the instruction. Results also indicate a significant relation between the responses in the different CT concepts/practices. According to the findings, STEM content epistemology combined with Physical Computing should be a good candidate as a learning and teaching approach in university settings that enhances students’ engagement in CT concepts/practices.

Keywords: arduino, computational thinking, computer programming, Labview, self-efficacy, STEM

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Authors: Wilailuk Meepracha

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The results of the study on the project evaluation to develop the competencies, capabilities, and skills in repairing computers of people in Jompluak Local Municipality, Bang Khonthi District, Samut Songkram Province showed that the overall result was good (4.33). When considering on each aspect, it was found that the highest one was on process evaluation (4.60) followed by product evaluation (4.50) and the least one was on feeding factor (3.97). When considering in details, it was found that: 1) the context aspect was high (4.23) with the highest item on the arrangement of the training situation (4.67) followed by the appropriateness of the target (4.30) and the least aspect was on the project cooperation (3.73). 2) The evaluation of average overall primary factor or feeding factor showed high value (4.23) while the highest aspect was on the capability of the trainers (4.47) followed by the suitable venue (4.33) while the least aspect was on the insufficient budget (3.47). 3) The average result of process evaluation was very high (4.60). The highest aspect was on the follow-op supervision (4.70) followed by responsibility of each project staffs (4.50) while the least aspect was on the present situation and the problems of the community (4.40). 4) The overall result of the product evaluation was very high (4.50). The highest aspect was on the diversity of the activities and the community integration (4.67) followed by project target achievement (4.63) while the least aspect was on continuation and regularity of the activities (4.33). The trainees reported high satisfaction on the project management at very high level (43.33%) while 40% reported high level and 16.67% reported moderate level. Suggestions for the project were on the additional number of the computer sets (37.78%) followed by longer training period especially on computer skills (43.48%).

Keywords: project evaluation, competency development, the capability on computer repairing and computer skills

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Authors: M. A. Rahman, A. O. Enikuomehin

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Sharing commitment to reach a common goal in research by harnessing available resources from two or more parties can simply be referred to as collaborative research. Asides from avoiding duplication of research, the benefits often accrued from such research alliances include time economy as well as expenses reduction in completing such studies. Likewise, it provides an avenue to produce a wider horizon of scientific knowledge sequel to gathering of skills, knowledge and resources. In institutions of higher learning and research institutes, it often gives scholars an opportunity to strengthen the teaching and research capacity of their various institutions. Between industries and institutions, collaborative research breeds promising relationship that could be geared towards addressing different research problems such as producing and enhancing industrial-based products and services, including technological transfer. For Nigeria to take advantage of this collaboration, different issues like licensing of technology, intellectual property right, confidentiality, and funding among others, which could arise during this collaborative research programme, are identified in this paper. An important tool required to achieve this height in developing economy is the use of appropriate computer model. The paper highlights the costs of the collaborations and likewise stresses the need for evaluating the effectiveness and efficiency of such collaborative research activities and proposes an appropriate computer model to assist in this regard.

Keywords: collaborative research, developing country, computerization, model

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Authors: Q. Raza

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Getting old is inevitable, tasks which were once simple are now a daily struggle. This paper is a study of how older users interact with web application based upon a series of experiments. The experiments conducted involved 12 participants and the experiments were split into two parts. The first set gives the users a feel of current social networks and the second set take into considerations from the participants and the results of the two are compared. This paper goes in detail on the psychological aspects such as social exclusion, Metacognition memory and Therapeutic memories and how this relates to users becoming isolated from society, social networking can be the roof on a foundation of successful computer interaction. The purpose of this paper is to carry out a study and to propose new ideas to help users to be able to use social networking sites easily and efficiently.

Keywords: cognitive psychology, special memory, social networking and human computer interaction

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Authors: Vaibhav Dalmia, Manoj Phirke, Renith G

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With the wide adoption of UAVs (unmanned aerial vehicles) in various industries by the government as well as private corporations for solving computer vision tasks it’s necessary that their potential is analyzed completely. Recent advances in Deep Learning have also left us with a plethora of algorithms to solve different computer vision tasks. This study provides a comprehensive survey on solving the Visual Object Tracking problem and explains the tradeoffs involved in building a real-time yet reasonably accurate object tracking system for UAVs by looking at existing methods and evaluating them on the aerial datasets. Finally, the best trackers suitable for UAV-based applications are provided.

Keywords: deep learning, drones, single object tracking, visual object tracking, UAVs

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Authors: J. J. Peña, J. Morales, J. García-Ravelo, L. Arcos-Díaz

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The Point canonical transformation method is applied for solving the Schrödinger equation with position-dependent mass. This class of problem has been solved for continuous mass distributions. In this work, a staggered mass distribution for the case of a free particle in an infinite square well potential has been proposed. The continuity conditions as well as normalization for the wave function are also considered. The proposal can be used for dealing with other kind of staggered mass distributions in the Schrödinger equation with different quantum potentials.

Keywords: free particle, point canonical transformation method, position-dependent mass, staggered mass distribution

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Authors: Rafael Iliasov, Alessandro Golkar

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Object detection based on event vision has been a dynamically growing field in computer vision for the last 16 years. In this work, we create multiple channels from a single event camera and propose an event fusion method (EFM) to enhance object detection in event-based vision systems. Each channel uses a different accumulation buffer to collect events from the event camera. We implement YOLOv7 for object detection, followed by a fusion algorithm. Our multichannel approach outperforms single-channel-based object detection by 0.7% in mean Average Precision (mAP) for detection overlapping ground truth with IOU = 0.5.

Keywords: event camera, object detection with multimodal inputs, multichannel fusion, computer vision

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Authors: Min Chen, Hui Lin

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VGEs are a kind of typical web- and computer-based geographic environment, with aims of merging geographic knowledge, computer technology, virtual reality technology, network technology, and geographic information technology, to provide a digital mirror of physical geographic environments to allow users to ‘feel it in person’ by a means for augmenting the senses and to ‘know it beyond reality’ through geographic phenomena simulation and collaborative geographic experiments. Many achievements have appeared in this field, but further evolution should be explored. With the exploration of the conception of VGEs, and some examples, this article illustrated the role of VGEs and their contribution to currently GIScience. Based on the above analysis, questions are proposed for discussing about the future way of VGEs.

Keywords: virtual geographic environments (VGEs), GIScience, virtual reality, geographic information systems

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Authors: Harshit Mittal, Neeraj Garg

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Hand symbol recognition is a pivotal component in the domain of computer vision, with far-reaching applications spanning sign language interpretation, human-computer interaction, and accessibility. This research paper discusses the approach with the integration of the Canny Edge algorithm and convolutional neural network. The significance of this study lies in its potential to enhance communication and accessibility for individuals with hearing impairments or those engaged in gesture-based interactions with technology. In the experiment mentioned, the data is manually collected by the authors from the webcam using Python codes, to increase the dataset augmentation, is applied to original images, which makes the model more compatible and advanced. Further, the dataset of about 6000 coloured images distributed equally in 5 classes (i.e., 1, 2, 3, 4, 5) are pre-processed first to gray images and then by the Canny Edge algorithm with threshold 1 and 2 as 150 each. After successful data building, this data is trained on the Convolutional Neural Network model, giving accuracy: 0.97834, precision: 0.97841, recall: 0.9783, and F1 score: 0.97832. For user purposes, a block of codes is built in Python to enable a window for hand symbol recognition. This research, at its core, seeks to advance the field of computer vision by providing an advanced perspective on hand sign recognition. By leveraging the capabilities of the Canny Edge algorithm and convolutional neural network, this study contributes to the ongoing efforts to create more accurate, efficient, and accessible solutions for individuals with diverse communication needs.

Keywords: hand symbol recognition, computer vision, Canny edge algorithm, convolutional neural network

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Authors: Yew Mun Yip, Dawei Zhang

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Proteins are the biological machinery that executes specific vital functions in every cell of the human body by folding into their 3D structures. When a protein misfolds from its native structure, the machinery will malfunction and lead to misfolding diseases. Although in vitro experiments are able to conclude that the mutations of the amino acid sequence lead to incorrectly folded protein structures, these experiments are unable to decipher the folding process. Therefore, molecular dynamic (MD) simulations are employed to simulate the folding process so that our improved understanding of the folding process will enable us to contemplate better treatments for misfolding diseases. MD simulations make use of force fields to simulate the folding process of peptides. Secondary structures are formed via the hydrogen bonds formed between the backbone atoms (C, O, N, H). It is important that the hydrogen bond energy computed during the MD simulation is accurate in order to direct the folding process to the native structure. Since the atoms involved in a hydrogen bond possess very dissimilar electronegativities, the more electronegative atom will attract greater electron density from the less electronegative atom towards itself. This is known as the polarization effect. Since the polarization effect changes the electron density of the two atoms in close proximity, the atomic charges of the two atoms should also vary based on the strength of the polarization effect. However, the fixed atomic charge scheme in force fields does not account for the polarization effect. In this study, we introduce the polarized structure-specific backbone charge (PSBC) model. The PSBC model accounts for the polarization effect in MD simulation by updating the atomic charges of the backbone hydrogen bond atoms according to equations derived between the amount of charge transferred to the atom and the length of the hydrogen bond, which are calculated from quantum-mechanical calculations. Compared to other polarizable models, the PSBC model does not require quantum-mechanical calculations of the peptide simulated at every time-step of the simulation and maintains the dynamic update of atomic charges, thereby reducing the computational cost and time while accounting for the polarization effect dynamically at the same time. The PSBC model is applied to two different β-peptides, namely the Beta3s/GS peptide, a de novo designed three-stranded β-sheet whose structure is folded in vitro and studied by NMR, and the trpzip peptides, a double-stranded β-sheet where a correlation is found between the type of amino acids that constitute the β-turn and the β-propensity.

Keywords: hydrogen bond, polarization effect, protein folding, PSBC

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Authors: Nelson K. Lujara

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The performance characteristics of a photovoltaic induction motor drive water pumping system with and without maximum power tracker is analyzed and presented. The analysis is done through determination and assessment of critical loss components in the system using computer aided design (CAD) tools for optimal operation of the system. The results can be used to formulate a well-calibrated computer aided design package of photovoltaic water pumping systems based on the induction motor drive. The results allow the design engineer to pre-determine the flow rate and efficiency of the system to suit particular application.

Keywords: photovoltaic, water pumping, losses, induction motor

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Authors: Mohamed Amin Mekheimer

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This study aimed to investigate the effects of paper-based monolingual, pop-up and type-in electronic dictionaries on improving reading comprehension and incidental vocabulary acquisition and retention in an EFL context. It tapped into how computer-mediated dictionaries may have facilitated/impeded reading comprehension and vocabulary acquisition. Findings showed differential effects produced by the three treatments compared with the control group. Specifically, it revealed that the pop-up dictionary condition had the shortest average vocabulary searching time, vocabulary and text reading time, yet with less than the type-in dictionary group but more than the book dictionary group in terms of frequent dictionary 'look-ups' (p<.0001). In addition, ANOVA analyses also showed that text reading time differed significantly across all four treatments, and so did reading comprehension. Vocabulary acquisition was reported as enhanced in the three treatments rather than in the control group, but still with insignificant differences across the three treatments, yet with more differential effects in favour of the pop-up condition. Data also assert that participants preferred the pop-up e-dictionary more than the type-in and paper-based groups. Explanations of the findings vis-à-vis the cognitive load theory were presented. Pedagogical implications and suggestions for further research were forwarded at the end.

Keywords: computer-mediated dictionaries, type-in dictionaries, pop-up dictionaries, reading comprehension, vocabulary acquisition

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Authors: Ali Berkan Ural

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This paper presents the analysis, evaluation, and pre-diagnosis of early stage breast based diagnostic problems (breast cancer, nodulesorlumps) by Computer Aided Diagnosing (CAD) system from mammogram radiological images. According to the statistics, the time factor is crucial to discover the disease in the patient (especially in women) as possible as early and fast. In the study, a new algorithm is developed using advanced image processing and deep learning method to detect and classify the problem at earlystagewithmoreaccuracy. This system first works with image processing methods (Image acquisition, Noiseremoval, Region Growing Segmentation, Morphological Operations, Breast BorderExtraction, Advanced Segmentation, ObtainingRegion Of Interests (ROIs), etc.) and segments the area of interest of the breast and then analyzes these partly obtained area for cancer detection/lumps in order to diagnosis the disease. After segmentation, with using the Spectrogramimages, 5 different deep learning based methods (specified Convolutional Neural Network (CNN) basedAlexNet, ResNet50, VGG16, DenseNet, Xception) are applied to classify the breast based problems.

Keywords: computer aided diagnosis, breast cancer, region growing, segmentation, deep learning

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Authors: Nima E. Gorji

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The performance and characteristics of a hybrid heterojunction single-walled carbon nanotube and GaAs solar cell is modelled and numerically simulated using AMPS-1D device simulation tool. The device physics and performance parameters with different junction parameters are analysed. The results suggest that the open-circuit voltage changes very slightly by changing the work function, acceptor and donor density while the other electrical parameters reach to an optimum value. Increasing the concentration of a discrete defect density in the absorber layer decreases the electrical parameters. The current-voltage characteristics, quantum efficiency, band gap and thickness variation of the photovoltaic response will be quantitatively considered.

Keywords: carbon nanotube, GaAs, hybrid solar cell, AMPS-1D modelling

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Authors: Essang Anwana Onuntuei, Chinyere Blessing Azunwoke

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The study centred on investigating the influence of multimedia systems and computer graphic design on global and local scale economies. Firstly, the study pinpointed the significant participants and top five global digital media distribution in the digital media market. Then, the study investigated whether a tie or variance existed between the digital media vendor and market shares. Also, the paper probed whether the global and local desktop, mobile, and tablet markets differ while assessing the association between the top five digital media and global market shares. Finally, the study explored the extent of growth, economic gains, major setbacks, and opportunities within the industry amidst global and local scale economic flux. A multiple regression analysis method was employed to analyse the significant influence of the top five global digital media on the total market share, and the Analysis of Variance (ANOVA) was used to analyse the global digital media vendor market share data. The findings were intriguing and significant.

Keywords: computer graphics, digital media market, global market share, market size, media vendor, multimedia, social media, systems design

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Authors: Mohammad Hashemi, John Herbert

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Quantifying and measuring Quality of Experience (QoE) are important and difficult concerns in Human Computer Interaction (HCI). Quality of Service (QoS) and the actual User Interface (UI) of the application are both important contributors to the QoE of a user. This paper describes a framework that measures accurately the way a user uses the UI in order to model users' behaviours and profiles. It monitors the use of the mouse and use of UI elements with accurate time measurement. It does this in real-time and does so unobtrusively and efficiently allowing the user to work as normal with the application. This real-time accurate measurement of the user's interaction provides valuable data and insight into the use of the UI, and is also the basis for analysis of the user's QoE.

Keywords: user modelling, user interface experience, quality of experience, user experience, human and computer interaction

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Authors: Mohammadamin Abbasnejad

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The analysis of expression and facial Action Units (AUs) detection are very important tasks in fields of computer vision and Human Computer Interaction (HCI) due to the wide range of applications in human life. Many works have been done during the past few years which has their own advantages and disadvantages. In this work, we present a new model based on Gaussian Conditional Random Field. We solve our objective problem using ADMM and we show how well the proposed model works. We train and test our work on two facial expression datasets, CK+, and RU-FACS. Experimental evaluation shows that our proposed approach outperform state of the art expression recognition.

Keywords: Gaussian Conditional Random Field, ADMM, convergence, gradient descent

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Authors: Ece A. Irmak, Amdulla O. Mekhrabov, M. Vedat Akdeniz

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There is a growing interest in the modeling and simulation of magnetic nanoalloys by various computational methods. Magnetic crystalline/amorphous nanoparticles (NP) are interesting materials from both the applied and fundamental points of view, as their properties differ from those of bulk materials and are essential for advanced applications such as high-performance permanent magnets, high-density magnetic recording media, drug carriers, sensors in biomedical technology, etc. As an important magnetic material, Fe-Ni based nanoalloys have promising applications in the chemical industry (catalysis, battery), aerospace and stealth industry (radar absorbing material, jet engine alloys), magnetic biomedical applications (drug delivery, magnetic resonance imaging, biosensor) and computer hardware industry (data storage). The physical and chemical properties of the nanoalloys depend not only on the particle or crystallite size but also on composition and atomic ordering. Therefore, computer modeling is an essential tool to predict structural, electronic, magnetic and optical behavior at atomistic levels and consequently reduce the time for designing and development of new materials with novel/enhanced properties. Although first-principles quantum mechanical methods provide the most accurate results, they require huge computational effort to solve the Schrodinger equation for only a few tens of atoms. On the other hand, molecular dynamics method with appropriate empirical or semi-empirical inter-atomic potentials can give accurate results for the static and dynamic properties of larger systems in a short span of time. In this study, structural evolutions, magnetic and electronic properties of Fe-Ni based nanoalloys have been studied by using molecular dynamics (MD) method in Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and Density Functional Theory (DFT) in the Vienna Ab initio Simulation Package (VASP). The effects of particle size (in 2-10 nm particle size range) and temperature (300-1500 K) on stability and structural evolutions of amorphous and crystalline Fe-Ni bulk/nanoalloys have been investigated by combining molecular dynamic (MD) simulation method with Embedded Atom Model (EAM). EAM is applicable for the Fe-Ni based bimetallic systems because it considers both the pairwise interatomic interaction potentials and electron densities. Structural evolution of Fe-Ni bulk and nanoparticles (NPs) have been studied by calculation of radial distribution functions (RDF), interatomic distances, coordination number, core-to-surface concentration profiles as well as Voronoi analysis and surface energy dependences on temperature and particle size. Moreover, spin-polarized DFT calculations were performed by using a plane-wave basis set with generalized gradient approximation (GGA) exchange and correlation effects in the VASP-MedeA package to predict magnetic and electronic properties of the Fe-Ni based alloys in bulk and nanostructured phases. The result of theoretical modeling and simulations for the structural evolutions, magnetic and electronic properties of Fe-Ni based nanostructured alloys were compared with experimental and other theoretical results published in the literature.

Keywords: density functional theory, embedded atom model, Fe-Ni systems, molecular dynamics, nanoalloys

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Authors: Vojtěch Gybas, Libor Klubal, Kateřina Kostolányová

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This case study responds to the current trends in ICT. Mobile Touch iPads can provide very good assistance to disabled seniors. The intuitive tablet environment, the possibility of the formation environment and its portability, has a very positive effect on the use of particular communication. For comparison, using a conventional PC/notebook, word processor, keyboard and computer mouse compared to the iPad and selected applications. The results of this case study show that the use of mobile touch devices iPad for seniors with mental retardation is a great benefit. These devices do not require high demands on graphomotorics like a standard PC devices.

Keywords: ICT, iPad, handicapped seniors, communication, computer/notebook, applications, text editor

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Authors: Cao Jiayu, Lan Ximing, Huang Jingjia, Burra Venkata Durga Kumar

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The first virus to attack personal computers was born in early 1986, called C-Brain, written by a pair of Pakistani brothers. In those days, people still used dos systems, manipulating computers with the most basic command lines. In the 21st century today, computer performance has grown geometrically. But computer viruses are also evolving and escalating. We never stop fighting against security problems. Stack overflow is one of the most common security vulnerabilities in operating systems. It may result in serious security issues for an operating system if a program in it has a vulnerability with administrator privileges. Certain viruses change the value of specific memory through a stack overflow, allowing computers to run harmful programs. This study developed a mechanism to detect and respond to time whenever a stack overflow occurs. We demonstrate the effectiveness of standard machine learning algorithms and control flow enforcement techniques in predicting computer OS security using generating suspicious vulnerability functions (SVFS) and associated suspect areas (SAS). The method can minimize the possibility of stack overflow attacks occurring.

Keywords: operating system, security, stack overflow, buffer overflow, machine learning, control-flow enforcement technology

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Authors: Latef M. Ali, Farah A. Abed

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In this paper, the effect of the Barium fluoride (BaF2) layer on the absorption efficiency of GaAs/InAs nanowire solar cells was investigated using the finite difference time domain (FDTD) method. By inserting the BaF2 as antireflection with the dominant size of 10 nm to fill the space between the shells of wires on the Si (111) substrate. The absorption is significantly improved due to the strong reabsorption of light reflected at the shells and compared with the reference cells. The present simulation leads to a higher absorption efficiency (Qabs) and reaches a value of 97%, and the external quantum efficiencies (EQEs) above 92% are observed. The current density (Jsc) increases by 0.22 mA/cm2 and the open-circuit voltage (Voc) is enhanced by 0.11 mV.

Keywords: nanowire solar cells, absorption efficiency, photovoltaic, band structures, fdtd simulation

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Authors: Alfred Chen, Cheng Chieh Hsu, Yu-Pin Ma, Meng-Jie Lin, Fu Pai Chiu, Yi-Yan Sie

Abstract:

This study is attempted to construct a human-computer interactive platform system that has mainly consisted of an augmented hardware system, a software system, a display table, and mixed media. This system has provided with human-computer interaction services through an interactive platform for the tourism industry. A well designed interactive platform, integrating of augmented reality and mixed media, has potential to enhance museum display quality and diversity. Besides, it will create a comprehensive and creative display mode for most museums and historical heritages. Therefore, it is essential to let public understand what the platform is, how it functions, and most importantly how one builds an interactive augmented platform. Hence the authors try to elaborate the construction process of the platform in detail. Thus, there are three issues to be considered, i.e.1) the theory and application of augmented reality, 2) the hardware and software applied, and 3) the mixed media presented. In order to describe how the platform works, Courtesy Door of Tainan Confucius Temple has been selected as case study in this study. As a result, a developed interactive platform has been presented by showing the physical entity object, along with virtual mixing media such as text, images, animation, and video. This platform will result in providing diversified and effective information that will be delivered to the users.

Keywords: human-computer interaction, mixed reality, mixed media, tourism

Procedia PDF Downloads 489

Authors: Wojciech Grochala

Abstract:

AgF2 is an important two-dimensional antiferromagnet and an analogue of [CuO2]2– sheet. However, the strength of magnetic superexchange as well as magnetic dimensionality have not been explored before . Here we report our recent Raman and neutron scattering experiments which led to better understanding of the magnetic properties of the title compound. It turns out that intra-sheet magnetic superexchange constant reaches 70 meV, thus some 2/3 of the value measured for parent compounds of oxocuprate superconductors which is over 100 meV. The ratio of intra-to-inter-sheet superexchange constants is of the order of 102 rendering AgF2 a quasi-2D material, similar to the said oxocuprates. The quantum mechanical calculations reproduce the abovementioned values quite well and they point out to substantial covalence of the Ag–F bonding. After 3 decades of intense research on layered oxocuprates, AgF2 now stands as a second-to-none analogue of these fascinating systems. It remains to be seen whether this 012 parent compound may be doped in order to achieve superconductivity.

Keywords: antiferromagnets, superexchange, silver, fluorine

Procedia PDF Downloads 129