Search results for: ab initio coupled cluster methods

Authors: Giorgio Visentin, Alexei A. Buchachenko

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Recent proposals to use Yb dimer as an optical clock and as a sensor for non-Newtonian gravity imply the knowledge of its interaction potential. Here, the ground-state Born-Oppenheimer Yb₂ potential energy curve is represented by a semi-analytical function, consisting of short- and long-range contributions. For the former, the systematic ab initio all-electron exact 2-component scalar-relativistic CCSD(T) calculations are carried out. Special care is taken to saturate diffuse basis set component with the atom- and bond-centered primitives and reach the complete basis set limit through n = D, T, Q sequence of the correlation-consistent polarized n-zeta basis sets. Similar approaches are used to the long-range dipole and quadrupole dispersion terms by implementing the CCSD(3) polarization propagator method for dynamic polarizabilities. Dispersion coefficients are then computed through Casimir-Polder integration. The semiclassical constraint on the number of the bound vibrational levels known for the ¹⁷⁴Yb isotope is used to scale the potential function. The scaling, based on the most accurate ab initio results, bounds the interaction energy of two Yb atoms within the narrow 734 ± 4 cm⁻¹ range, in reasonable agreement with the previous ab initio-based estimations. The resulting potentials can be used as the reference for more sophisticated models that go beyond the Born-Oppenheimer approximation and provide the means of their uncertainty estimations. The work is supported by Russian Science Foundation grant # 17-13-01466.

Keywords: ab initio coupled cluster methods, interaction potential, semi-analytical function, ytterbium dimer

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Authors: Manel Boulakoud, Abdelkader Chouaih, Fodil Hamzaoui

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In the present work we are interested in the determination of the Molecular electrostatic potential (MEP) in Z-3N(2-Ethoxyphenyl), 2-N’(2-Ethoxyphenyl) imino thiazolidin-4-one molecule by ab initio and Density Functional Theory (DFT) in the ground state. The MEP is related to the electronic density and is a very useful descriptor in understanding sites for electrophilic attack and nucleophilic reactions as well as hydrogen bonding interactions. First, geometry optimization was carried out using Hartree–Fock (HF) and DFT methods with 6-311G(d,p) basis set. In order to get more information on the molecule, its stability has been analyzed by natural bond orbital (NBO) analysis. Mulliken population analyses have been calculated. Finally, the molecular electrostatic potential (MEP) and HOMO-LUMO energy levels have been performed. The calculated HOMO and LUMO energies show also the charge transfer within the molecule. The energy gap obtained is about 4 eV which explain the stability of the studied compound. The obtained molecular electrostatic potential from the two methods confirms the nature of the electron charge transfer at the molecular shell and locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: DFT, ab initio, HOMO-LUMO, organic compounds

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Authors: M. Al Azri, M. Elzain, K. Bouziane, S. M. Chérif

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n-Type 6H-SiC(0001) substrates were implanted with three fluencies of Mn+ 5x1015 Mn/cm2 (Mn content: 0.7%), 1x1016 (~2 %), and 5x1016 cm–2 (7%) with implantation energy of 80 keV and substrate temperature of 365ºC. The samples were characterized using Rutherford Backscattering and Channeling Spectroscopy (RBS/C), High-Resolution X-Ray Diffraction technique (HRXRD), micro-Raman Spectroscopy (μRS), and Superconducting Quantum Interference Device (SQUID) techniques. The aim of our work is to investigate implantation induced defects with dose and to study any correlation between disorder-composition and magnetic properties. In addition, ab-initio calculations were used to investigate the structural and magnetic properties of Mn-doped 6H-SiC. Various configurations of Mn sites and vacancy types were considered. The calculations showed that a substitutional Mn atom at Si site possesses larger magnetic moment than Mn atom at C site. A model is introduced to explain the dependence of the magnetic structure on site occupation. The magnetic properties of ferromagnetically (FM) and antiferromagnetically (AFM) coupled pairs of Mn atoms with and without neighboring vacancies have also been explored.

Keywords: ab-initio calculations, diluted magnetic semiconductors, magnetic properties, silicon carbide

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Authors: Purevdolgor Luvsantseren, Ajnai Luvsan-Ish, Oyuntsetseg Sandag, Javzmaa Tsend, Akhit Tileubai, Baasandorj Chilhaasuren, Jargalbat Puntsagdash, Galbadrakh Chuluunbaatar

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One of the indicators of the quality of university services is student satisfaction. Aim: We aimed to study the level of satisfaction of students in the first year of premedical courses in the course of Medical Physics using the cluster method. Materials and Methods: In the framework of this goal, a questionnaire was collected from a total of 324 students who studied the medical physics course of the 1st course of the premedical course at the Mongolian National University of Medical Sciences. When determining the level of satisfaction, the answers were obtained on five levels of satisfaction: "excellent", "good", "medium", "bad" and "very bad". A total of 39 questionnaires were collected from students: 8 for course evaluation, 19 for teacher evaluation, and 12 for student evaluation. From the research, a database with 39 fields and 324 records was created. Results: In this database, cluster analysis was performed in MATLAB and R programs using the k-means method of data mining. Calculated the Hopkins statistic in the created database, the values are 0.88, 0.87, and 0.97. This shows that cluster analysis methods can be used. The course evaluation sub-fund is divided into three clusters. Among them, cluster I has 150 objects with a "good" rating of 46.2%, cluster II has 119 objects with a "medium" rating of 36.7%, and Cluster III has 54 objects with a "good" rating of 16.6%. The teacher evaluation sub-base into three clusters, there are 179 objects with a "good" rating of 55.2% in cluster II, 108 objects with an "average" rating of 33.3% in cluster III, and 36 objects with an "excellent" rating in cluster I of 11.1%. The sub-base of student evaluations is divided into two clusters: cluster II has 215 objects with an "excellent" rating of 66.3%, and cluster I has 108 objects with an "excellent" rating of 33.3%. Evaluating the resulting clusters with the Silhouette coefficient, 0.32 for the course evaluation cluster, 0.31 for the teacher evaluation cluster, and 0.30 for student evaluation show statistical significance. Conclusion: Finally, to conclude, cluster analysis in the model of the medical physics lesson “good” - 46.2%, “middle” - 36.7%, “bad” - 16.6%; 55.2% - “good”, 33.3% - “middle”, 11.1% - “bad” in the teacher evaluation model; 66.3% - “good” and 33.3% of “bad” in the student evaluation model.

Keywords: questionnaire, data mining, k-means method, silhouette coefficient

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Authors: Tahani H. Alluhaybi, Leila Mejrissi

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In the present theoretical study, we investigated adiabatically the electronic structure of the (BaNa)+ by the use of the ab initio calculation. We optimized a large atomic GTO basis set for Na and Ba atoms. The (BaNa)+ molecular ion is considered a two-electron thank to a non-empirical pseudo-potentials approach applied to Ba and Na cores with the Core Polarization Potentials operator (CPP). Then, we performed the Full Configuration Interaction (FCI) method. Accordingly, we calculated the adiabatic Potential Energy Curves (PECs) and their spectroscopic constants (well depth De, transition energies Te, the equilibrium distances Re, vibrational constant ⍵e, and anharmonic constant ⍵exe) for 10 electronic states in Σ+ symmetry. Then we determined the vibrational level energies and their spacing, and the electric Permanent Dipole Moments (PDM).

Keywords: Ab initio, dipole moment, non-empirical pseudo-potential, potential energy curves, spectroscopic constants, vibrational energy

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Authors: Insiya Kapasi, Roshni Udyavar Yehuda

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Cluster Redevelopment is a new concept in the city of Mumbai. Its regulations were laid down by the government in 2009. The concept of cluster redevelopment encompasses a group of buildings defined by a boundary as specified by the municipal authority (in this case, Mumbai), which may be dilapidated or approved for redevelopment. The study analyses the effect of cluster redevelopment in the form of renewal of old group of buildings as compared to refurbishment or restoration - on energy consumption. The methodology includes methods of assessment to determine increase or decrease in energy consumption in cluster redevelopment based on different criteria such as carpet area of the units, building envelope and its architectural elements. Results show that as the area and number of units increase the Energy consumption increases and the EPI (energy performance index) decreases as compared to the base case. The energy consumption per unit area declines by 29% in the proposed cluster redevelopment as compared to the original settlement. It is recommended that although the development is spacious and provides more light and ventilation, aspects such as glass type, traditional architectural features and consumer behavior are critical in the reduction of energy consumption.

Keywords: Cluster Redevelopment, Energy Consumption, Energy Efficiency, Typologies

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Authors: M. Taibeche, L. Guerbous, M. Kechouane, R. Nedjar, T. Zergoug

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It is known that Y2O3 Material is the most important among the sesquioxides within the general class of refractory ceramics. Indeed, this compound has many applications such as sintering optical windows, components for rare-earth doped lasers as well as inorganic scintillators in the detection scintillation. In particular Eu2+ and Ce3+ are favored dopants in many the scintillators due to its allowed optical 5d-4f transition. In this work, we present new results concerning structural and electronic properties of Ce-doped Y2O3, investigated by density functional theory (DFT), using the Heyd–Scuseria–Ernzerhof (HSE) hybrid functional and DFT+U two approaches. When, we compared the results from the two methods we obtain a good agreement available experimental data. Furthermore, the effect of cerium on the material has also been studied and discussed in the same framework.

Keywords: DFT, vienne ab initio simulation packages, scintillators, Heyd–Scuseria–Ernzerhof (HSE) hybrid functional

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Authors: M. Ibrir, S. Berri, S. Lakel, D. Maouche And Y. Medkour

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We have performed first-principle calculations of the structural, electronic and magnetic properties of KFeF3, KCoF3, KMnF3, KVF3, using full-potential linearized augmented plane-wave (FP-LAPW) scheme within GGA. Features such as the lattice constant, bulk modulus and its pressure derivative are reported. Also, we have presented our results of the band structure and the density of states. The magnetic moments of KFeF3, KCoF3, KMnF3, KVF3 compounds are in most came from the exchange-splitting of X-3d orbital.

Keywords: Ab initio calculations, electronic structure, magnetic materials

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Authors: Jonathan Galvan-Colin, Ariel Valladares, Renela Valladares, Alexander Valladares

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Both porous materials and bulk metallic glasses have been studied due to their potential applications and their exceptional physical and chemical properties. However, each material presents certain drawbacks which have been thought to be overcome by generating bulk metallic glass foams (BMGF). Although some experimental reports have been performed on multicomponent BMGF, still no ab initio works have been published, as far as we know. We present an approach based on the expanding lattice (EL) method to generate binary amorphous nanoporous Cu64Zr36. Starting from two different configurations: a 108-atom crystalline cubic supercell (cCu64Zr36) and a 108-atom amorphous supercell (aCu64Zr36), both with an initial density of 8.06 g/cm3, we applied EL method to halve the density and to get 50% of porosity. After the lattice expansion the supercells were subject to ab initio molecular dynamics for 500 steps at constant room temperature. Then, the samples were geometry-optimized and characterized with the pair and radial distribution functions, bond-angle distributions and a coordination number analysis. We found that pores appeared along specific spatial directions different from one to another and that they differed in size and form as well, which we think is related to the initial structure. Due to the lack of experimental counterparts our results should be considered predictive and further studies are needed in order to handle a larger number of atoms and its implication on pore topology.

Keywords: ab initio molecular dynamics, bulk mettalic glass, porous alloy

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Authors: Jularat Chumnaul

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In forensic science, corpses from various homicides are different; there are both complete and incomplete, depending on causes of death or forms of homicide. For example, some corpses are cut into pieces, some are camouflaged by dumping into the river, some are buried, some are burned to destroy the evidence, and others. If the corpses are incomplete, it can lead to the difficulty of personally identifying because some tissues and bones are destroyed. To specify gender of the corpses from skeletal remains, the most precise method is DNA identification. However, this method is costly and takes longer so that other identification techniques are used instead. The first technique that is widely used is considering the features of bones. In general, an evidence from the corpses such as some pieces of bones, especially the skull and pelvis can be used to identify their gender. To use this technique, forensic scientists are required observation skills in order to classify the difference between male and female bones. Although this technique is uncomplicated, saving time and cost, and the forensic scientists can fairly accurately determine gender by using this technique (apparently an accuracy rate of 90% or more), the crucial disadvantage is there are only some positions of skeleton that can be used to specify gender such as supraorbital ridge, nuchal crest, temporal lobe, mandible, and chin. Therefore, the skeletal remains that will be used have to be complete. The other technique that is widely used for gender specifying in forensic science and archeology is skeletal measurements. The advantage of this method is it can be used in several positions in one piece of bones, and it can be used even if the bones are not complete. In this study, the classification and cluster analysis are applied to this technique, including the Kth Nearest Neighbor Classification, Classification Tree, Ward Linkage Cluster, K-mean Cluster, and Two Step Cluster. The data contains 507 particular individuals and 9 skeletal measurements (diameter measurements), and the performance of five methods are investigated by considering the apparent error rate (APER). The results from this study indicate that the Two Step Cluster and Kth Nearest Neighbor method seem to be suitable to specify gender from human skeletal remains because both yield small apparent error rate of 0.20% and 4.14%, respectively. On the other hand, the Classification Tree, Ward Linkage Cluster, and K-mean Cluster method are not appropriate since they yield large apparent error rate of 10.65%, 10.65%, and 16.37%, respectively. However, there are other ways to evaluate the performance of classification such as an estimate of the error rate using the holdout procedure or misclassification costs, and the difference methods can make the different conclusions.

Keywords: skeletal measurements, classification, cluster, apparent error rate

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Authors: Pragya Bhawsar, Utpal Chattopadhyay

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Small and Medium Enterprises play crucial role in contributing to economic objectives of an emerging nation. To support SMEs, the idea of creation of clusters has been prevalent since past two decades. In this paper, an attempt has been done to explore the impact of being in the cluster on the competitiveness of SMEs. To meet the objective, Nasik Cluster (India) has been selected. The information was collected by means of two focus group discussions and survey of thirty SMEs. The finding generates interest revealing the fact that under the concept ‘Cluster’ a lot of ambiguity flourish. Besides the problems and opportunities of the firms in the cluster the results bring to notice that the benefits of clusterization can only reach to SMEs when the whole location can be considered/understood as a cluster, rather than many subsets (various forms of clusters) prevailing under it. Fostering such an understanding calls for harmony among the various stakeholders of the clusters. The dynamics of interaction among government, local industry associations, relevant institutions, large firms and finally SMEs which makes the most of the location based cluster, are significant in shaping the host cluster’s competitiveness and vice versa.

Keywords: SMEs, industry clusters, common facility centres, co-creation, policy

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Authors: Rahmat Purwoko, Bambang Riyanto Trilaksono

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This paper gives comparison of INS/GNSS architecture namely Loosely Coupled and Tightly Coupled using Hardware in the Loop Simulation in Guided Missile RKX-200 rocket model. INS/GNSS Tightly Coupled architecture requires pseudo-range, pseudo-range rate, and position and velocity of each satellite in constellation from GPS (Global Positioning System) measurement. The Loosely Coupled architecture use estimated position and velocity from GNSS receiver. INS/GNSS architecture also requires angular rate and specific force measurement from IMU (Inertial Measurement Unit). Loosely Coupled arhitecture designed using 15 states Kalman Filter and Tightly Coupled designed using 17 states Kalman Filter. Integration algorithm calculation using ECEF frame. Navigation System implemented Zedboard All Programmable SoC.

Keywords: kalman filter, loosely coupled, navigation system, tightly coupled

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Authors: Manverpreet Kaur, Amarpreet Singh

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The demand of Vehicular ad hoc networks is increasing day by day, due to offering the various applications and marvelous benefits to VANET users. Clustering in VANETs is most important to overcome the connectivity problems of VANETs. In this paper, we proposed a new clustering technique Enhanced cluster based connectivity maintenance in vehicular ad hoc network. Our objective is to form long living clusters. The proposed approach is grouping the vehicles, on the basis of the longest list of neighbors to form clusters. The cluster formation and cluster head selection process done by the RSU that may results it reduces the chances of overhead on to the network. The cluster head selection procedure is the vehicle which has closest speed to average speed will elect as a cluster Head by the RSU and if two vehicles have same speed which is closest to average speed then they will be calculate by one of the new parameter i.e. distance to their respective destination. The vehicle which has largest distance to their destination will be choosing as a cluster Head by the RSU. Our simulation outcomes show that our technique performs better than the existing technique.

Keywords: VANETs, clustering, connectivity, cluster head, intelligent transportation system (ITS)

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Authors: Mohammad Reza Shojaei, Mahdeih Mirzaeinia

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We have studied the cluster structure of even-even stable isotopes of Ge and Sr. The Schrodinger equation has been solved using the generalized parametric Nikiforov-Uvarov method with a phenomenological potential. This potential is the sum of the attractive Yukawa-like potential, a Manning-Rosen-type potential, and the repulsive Yukawa potential for interaction between the cluster and the core. We have shown that the available experimental data of the first rotational band energies can be well described by assuming a binary system of the α cluster and the core and using an analytical solution. Our results were consistent with experimental values. Hence, this model can be applied to study the other even-even isotopes

Keywords: cluser model, NU method, ge and Sr, potential central

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Authors: Christopher Lama, Alix Rieser, Aleksandra Molchanova, Charles Thangaraj

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New technologies like Tesla’s Dojo have made high-performance embedded computing more available. Although automobile computing has developed and benefited enormously from these more recent technologies, the costs are still high, prohibitively high in some cases for broader adaptation, particularly for the after-market and enthusiast markets. This project aims to implement a Raspberry Pi-based low-power (under one hundred Watts) highly mobile computing cluster for a neural network. The computing cluster built from off-the-shelf components is more affordable and, therefore, makes wider adoption possible. The paper describes the design of the neural network, Raspberry Pi-based cluster, and applications the cluster will run. The neural network will use input data from sensors and cameras to project a live view of the road state as the user drives. The neural network will be trained to predict traffic behavior and generate warnings when potentially dangerous situations are predicted. The significant outcomes of this study will be two folds, firstly, to implement and test the low-cost cluster, and secondly, to ascertain the effectiveness of the predictive AI implemented on the cluster.

Keywords: CS pedagogy, student research, cluster computing, machine learning

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Authors: A. Albar, U. Schwingenschlogel

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Device applications of transparent conducting oxides require a thorough understanding of the physical and chemical properties of the involved interfaces. We use ab-initio calculations within density functional theory to investigate the electronic states at the SnO/SnO2 hetero-interface. Tin dioxide and monoxide are transparent materials with high n-type and p-type mobilities, respectively. This work aims at exploring the modifications of the electronic states, in particular the charge transfer, in the vicinity of the hetero-interface. The (110) interface is modeled by a super-cell approach in order to minimize the mismatch between the lattice parameters of the two compounds. We discuss the electronic density of states as a function of the distance to the interface.

Keywords: density of states, ab-initio calculations, interface states, charge transfer

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Authors: Wen-Hsiang Lai

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Except for the internal aspects of entrepreneurship (i.e. motivation, opportunity perspective and alertness), there are external aspects that affecting entrepreneurship (i.e. the industrial cluster). By comparing the machinery companies located inside and outside the industrial district, this study aims to explore the cluster effects on the entrepreneurship of companies in Taiwan machinery clusters (TMC). In this study, three factors affecting the entrepreneurship in TMC are conducted as “competition”, “embedded-ness” and “specialized knowledge”. The “competition” in the industrial cluster is defined as the competitive advantages that companies gain in form of demand effects and diversified strategies; the “embedded-ness” refers to the quality of company relations (relational embedded-ness) and ranges (structural embedded-ness) with the industry components (universities, customers and complementary) that affecting knowledge transfer and knowledge generations; the “specialized knowledge” shares the internal knowledge within industrial clusters. This study finds that when comparing to the companies which are outside the cluster, the industrial cluster has positive influence on the entrepreneurship. Additionally, the factor of “relational embedded-ness” has significant impact on the entrepreneurship and affects the adaptation ability of companies in TMC. Finally, the factor of “competition” reveals partial influence on the entrepreneurship.

Keywords: entrepreneurship, industrial cluster, industrial district, economies of agglomerations, Taiwan Machinery Cluster (TMC)

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Authors: A. Akın, H. Çoban

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This study was carried out to determine the effects of Control (C), 1/3 Cluster Tip Reduction (1/3 CTR), 1/6 Cluster Tip Reduction (1/6 CTR), 1/9 Cluster Tip Reduction (1/9 CTR), 1/3 CTR + Boric Acid (BA), 1/6 CTR + BA, 1/9 CTR + BA applications on yield and yield components of four years old Alphonse Lavallee grape variety (Vitis vinifera L.) grown on grafted 110 Paulsen rootstock in Konya province in Turkey in the vegetation period in 2015. According to the results, the highest maturity index 21.46 with 1/9 CTR application; the highest grape juice yields 736.67 ml with 1/3 CTR + BA application; the highest L* color value 32.07 with 1/9 CTR application; the highest a* color value 1.74 with 1/9 CTR application; the highest b* color value 3.72 with 1/9 CTR application were obtained. The effects of applications on grape fresh yield, cluster weight and berry weight were not found statistically significant.

Keywords: alphonse lavallee grape cultivar, different cluster tip reduction (1/3, 1/6, 1/9), foliar boric acid application, yield, quality

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Authors: Pavel Shcherban, Vlad Golovanov

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Nowadays, the depletion of hydrocarbon deposits on the land of the Kaliningrad region leads to active geological exploration and development of oil and natural gas reserves in the southeastern part of the Baltic Sea. LLC 'Lukoil-Kaliningradmorneft' implements a comprehensive program for the development of the region's shelf in 2014-2023. Due to heterogeneity of reservoir rocks in various open fields, as well as with ambiguous conclusions on the contours of deposits, additional geological prospecting and refinement of the recoverable oil reserves are carried out. The key element is use of an effective technique of computer stock modeling at the first stage of processing of the received data. The following step uses information for the cluster analysis, which makes it possible to optimize the field development approaches. The article analyzes the effectiveness of various methods for reserves' calculation and computer modelling methods of the offshore hydrocarbon fields. Cluster analysis allows to measure influence of the obtained data on the development of a technical and economic model for mining deposits. The relationship between the accuracy of the calculation of recoverable reserves and the need of modernization of existing mining infrastructure, as well as the optimization of the scheme of opening and development of oil deposits, is observed.

Keywords: cluster analysis, computer modelling of deposits, correction of the feasibility study, offshore hydrocarbon fields

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Authors: E. Happ, Zs. Ivancsone Horvath

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With the development of the information technology, IT, sector, all industry of the world has a new path, dealing with digitalisation. Tourism is the most rapidly increasing industry in the world. Without digitalisation, tourism operators would not be competitive enough with foreign destinations or other experience-based service providers. Digitalisation is also necessary to enable organizations, which are interested in tourism to meet the growing expectations of consumers. With the help of digitalisation, tourism providers can also obtain information about tourists, changes in consumer behaviour, and the use of online services. The degree of digitalisation in tourism is different for different services. The research is based on a questionnaire survey conducted in 2018 in Hungary. The sample with more than 500 respondents was processed by the SPSS program, using a variety of analysis methods. The following two variables were observed from more aspects: frequency of travel and the importance of services related to online travel. With the help of these variables, a cluster analysis was performed among the participants. The sample can be divided into two groups using K-mean cluster analysis. Cluster ‘1’ is a positive group; they can be called the “most digital tourists.” They agree in most things, with low standard deviation, and for them, digitalisation is a starting point. To the members of Cluster ‘2’, digitalisation is important, too. The results show what is important (accommodation, information gathering) to them, but also what they are not interested in at all within the digital world (e.g., car rental or online sharing). Interestingly, there is no third negative cluster. This result (that there is no result) proves that tourism uses digitalisation, and the question is only the extent of the use of online tools and methods. With the help of the designed consumer groups, the characteristics of digital tourism segments can be identified. The help of different variables characterised these groups. One of them is the frequency of travel, where there is a significant correlation between travel frequency and cluster membership. The shift is clear towards Cluster ‘1’, which means, those who find services related to online travel more important, are more likely to travel as well. By learning more about digital tourists’ consumer behaviour, the results of this research can help the providers in what kind of marketing tools could be used to influence the consumer choices of the different consumer groups created using digital devices, furthermore how to conduct more detailed and effective marketing activities. The main finding of the research was that most of the people have digital tools which are important to be able to participate in e-tourism. Of these, mobile devices are increasingly preferred. That means the challenge for service providers is no longer the digital presence but having optimised application for different devices.

Keywords: cluster analysis, digital tourism, marketing tool, tourist behaviour

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Authors: A. Albar, D. B. Granato, U. Schwingenschlogl

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Tin monoxide (SnO) has promising properties to be applied as a p-type semiconductor in transparent electronics. To this end, it is necessary to understand the behavior of defects in order to control them. We use density functional theory to study native defects of SnO under tensile and compressive strain. We show that Sn vacancies are more stable under tension and less stable under compression, irrespectively of the charge state. In contrast, O vacancies behave differently for different charge. It turns out that the most stable defect under compression is the +1 charged O vacancy in a Sn-rich environment and the charge neutral O interstitial in an O-rich environment. Therefore, compression can be used to transform SnO from an n-type into un-doped semiconductor.

Keywords: native defects, ab-initio, point defect, tension, compression, semiconductor

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Authors: Jianfeng Hu

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Personal authentication based on electroencephalography (EEG) signals is one of the important field for the biometric technology. More and more researchers have used EEG signals as data source for biometric. However, there are some disadvantages for biometrics based on EEG signals. The proposed method employs entropy measures for feature extraction from EEG signals. Four type of entropies measures, sample entropy (SE), fuzzy entropy (FE), approximate entropy (AE) and spectral entropy (PE), were deployed as feature set. In a silhouettes calculation, the distance from each data point in a cluster to all another point within the same cluster and to all other data points in the closest cluster are determined. Thus silhouettes provide a measure of how well a data point was classified when it was assigned to a cluster and the separation between them. This feature renders silhouettes potentially well suited for assessing cluster quality in personal authentication methods. In this study, “silhouettes scores” was used for assessing the cluster quality of k-means clustering algorithm is well suited for comparing the performance of each EEG dataset. The main goals of this study are: (1) to represent each target as a tuple of multiple feature sets, (2) to assign a suitable measure to each feature set, (3) to combine different feature sets, (4) to determine the optimal feature weighting. Using precision/recall evaluations, the effectiveness of feature weighting in clustering was analyzed. EEG data from 22 subjects were collected. Results showed that: (1) It is possible to use fewer electrodes (3-4) for personal authentication. (2) There was the difference between each electrode for personal authentication (p<0.01). (3) There is no significant difference for authentication performance among feature sets (except feature PE). Conclusion: The combination of k-means clustering algorithm and silhouette approach proved to be an accurate method for personal authentication based on EEG signals.

Keywords: personal authentication, K-mean clustering, electroencephalogram, EEG, silhouettes

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Authors: Kun-Peng Jin, Jin Liang, Ti-Jun Xiao

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In this work, we are concerned with the dynamic behaviors of solutions to some coupled systems with infinite memory, which consist of two partial differential equations where only one partial differential equation has damping. Such coupled systems are good mathematical models to describe the deformation and stress characteristics of some viscoelastic materials affected by temperature change, external forces, and other factors. By using the theory of operator semigroups, we give wellposedness results for the Cauchy problem for these coupled systems. Then, with the help of some auxiliary functions and lemmas, which are specially designed for overcoming difficulties in the proof, we show that the solutions of the coupled systems decay to zero in a strong way under a few basic conditions. The results in this dynamic analysis of coupled systems are generalizations of many existing results.

Keywords: dynamic analysis, coupled system, infinite memory, damping.

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Authors: Weirong Wang, Shenghong Huang, Xisheng Luo, Zhenyu Li

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Material mixing process and related dynamic issues at extreme compressing conditions have gained more and more concerns in last ten years because of the engineering appealings in inertial confinement fusion (ICF) and hypervelocity aircraft developments. However, there lacks models and methods that can handle fully coupled turbulent material mixing and complex fluid evolution under conditions of high energy density regime up to now. In aspects of macro hydrodynamics, three numerical methods such as direct numerical simulation (DNS), large eddy simulation (LES) and Reynolds-averaged Navier–Stokes equations (RANS) has obtained relative acceptable consensus under the conditions of low energy density regime. However, under the conditions of high energy density regime, they can not be applied directly due to occurrence of dissociation, ionization, dramatic change of equation of state, thermodynamic properties etc., which may make the governing equations invalid in some coupled situations. However, in view of micro/meso scale regime, the methods based on Molecular Dynamics (MD) as well as Monte Carlo (MC) model are proved to be promising and effective ways to investigate such issues. In this study, both classical MD and first-principle based electron force field MD (eFF-MD) methods are applied to investigate Richtmyer-Meshkov Instability of metal Lithium and gas Hydrogen (Li-H2) interface mixing at different shock loading speed ranging from 3 km/s to 30 km/s. It is found that: 1) Classical MD method based on predefined potential functions has some limits in application to extreme conditions, since it cannot simulate the ionization process and its potential functions are not suitable to all conditions, while the eFF-MD method can correctly simulate the ionization process due to its ‘ab initio’ feature; 2) Due to computational cost, the eFF-MD results are also influenced by simulation domain dimensions, boundary conditions and relaxation time choices, etc., in computations. Series of tests have been conducted to determine the optimized parameters. 3) Ionization induced by strong shock compression has important effects on Li-H2 interface evolutions of RMI, indicating a new micromechanism of RMI under conditions of high energy density regime.

Keywords: first-principle, ionization, molecular dynamics, material mixture, Richtmyer-Meshkov instability

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Authors: Pil Seong Park

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Homemade HPC clusters are widely used in many small labs, because they are easy to build and cost-effective. Even though incremental growth is an advantage of clusters, it results in heterogeneous systems anyhow. Instead of adding new nodes to the cluster, we can extend clusters to include some other Internet servers working independently on the same LAN, so that we can make use of their idle times, especially during the night. However extension across a firewall raises some security problems with NFS. In this paper, we propose a method to solve such a problem using SSH tunneling, and suggest a modified structure of the cluster that implements it.

Keywords: extension of HPC clusters, security, NFS, SSH tunneling

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Authors: Hyungsuk Han, Soohong Jeon, Chungwon Lee, YongHoon Kim

Abstract:

When a rubber mount and flexible coupling are installed on the main engine, high torsional vibration can occur. The root cause of this high torsional vibration can be attributed to the lateral-torsional coupled vibration of the shaft system. Therefore, the lateral-torsional coupled vibration is investigated numerically after approximating the shaft system to a three-degrees-of-freedom Jeffcott rotor. To verify that the high torsional vibration is caused by the lateral-torsional coupled vibration, a test unit that can simulate this lateral-torsional coupled vibration occurring in the propulsion shaft is developed. Performing a vibration test with the test unit, it can be experimentally verified that the high torsional vibration occurring in the propulsion shaft of the particular ship was caused by the lateral-torsional coupled vibration.

Keywords: Jeffcott rotor, lateral-torsional coupled vibration, propulsion shaft, stability

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Authors: Suleiman Babani, Jazuli Sanusi Kazaure

Abstract:

In this paper, two coupled-line couplers are designed and simulated using stripline technology. The coupled-line couplers (A and B) are designed with different values of coupling coefficient 6dB and 10dB respectively. Both of circuits have a coupled output port, a through output port and an isolated output port. Moreover, both circuits are tuned to function around 2.45 GHz. The design results are presented by simulation results obtained using ADS 2012.08 (Advanced Design System) software.

Keywords: ADS, coupled-line coupler, directional coupler, stripline

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Authors: Ritu Vashistha, Jitender Kumar

Abstract:

Clustering using the K-means algorithm is a very common way to understand and analyze the obtained output data. When a similar object is grouped, this is called the basis of Clustering. There is K number of objects and C number of cluster in to single cluster in which k is always supposed to be less than C having each cluster to be its own centroid but the major problem is how is identify the cluster is correct based on the data. Formulation of the cluster is not a regular task for every tuple of row record or entity but it is done by an iterative process. Each and every record, tuple, entity is checked and examined and similarity dissimilarity is examined. So this iterative process seems to be very lengthy and unable to give optimal output for the cluster and time taken to find the cluster. To overcome the drawback challenge, we are proposing a formula to find the clusters at the run time, so this approach can give us optimal results. The proposed approach uses the Euclidian distance formula as well melanosis to find the minimum distance between slots as technically we called clusters and the same approach we have also applied to Ant Colony Optimization(ACO) algorithm, which results in the production of two and multi-dimensional matrix.

Keywords: ant colony optimization, data clustering, centroids, data mining, k-means

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Authors: Shahed Vahedi, Mohd Salmi Md Noorani

Abstract:

This paper investigates cluster synchronization phenomena between community networks. We focus on the situation where a variety of dynamics occur in the clusters. In particular, we show that different synchronization states simultaneously occur between the networks. The controller is designed having an adaptive control gain, and theoretical results are derived via Lyapunov stability. Simulations on well-known dynamical systems are provided to elucidate our results.

Keywords: cluster synchronization, adaptive control, community network, simulation

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Authors: Ishtiaq Wahid, Masood Ahmad, Nighat Ayub, Sajad Ali

Abstract:

Lifetime of a wireless sensor network (WSN) is directly proportional to the energy consumption of its constituent nodes. Routing in wireless sensor network is very challenging due its inherit characteristics. In hierarchal routing the sensor filed is divided into clusters. The cluster-heads are selected from each cluster, which forms a hierarchy of nodes. The cluster-heads are used to transmit the data to the base station while other nodes perform the sensing task. In this way the lifetime of the network is increased. In this paper a comparative study of hierarchal routing protocols are conducted. The simulation is done in NS-2 for validation.

Keywords: WSN, cluster, routing, sensor networks

Procedia PDF Downloads 443