Search results for: module dynamics
3217 Investigation of Chlorophylls a and b Interaction with Inner and Outer Surfaces of Single-Walled Carbon Nanotube Using Molecular Dynamics Simulation
Authors: M. Dehestani, M. Ghasemi-Kooch
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In this work, adsorption of chlorophylls a and b pigments in aqueous solution on the inner and outer surfaces of single-walled carbon nanotube (SWCNT) has been studied using molecular dynamics simulation. The linear interaction energy algorithm has been used to calculate the binding free energy. The results show that the adsorption of two pigments is fine on the both positions. Although there is the close similarity between these two pigments, their interaction with the nanotube is different. This result is useful to separate these pigments from one another. According to interaction energy between the pigments and carbon nanotube, interaction between these pigments-SWCNT on the inner surface is stronger than the outer surface. The interaction of SWCNT with chlorophylls phytol tail is stronger than the interaction of SWCNT with porphyrin ring of chlorophylls.Keywords: adsorption, chlorophyll, interaction, molecular dynamics simulation, nanotube
Procedia PDF Downloads 2283216 SiamMask++: More Accurate Object Tracking through Layer Wise Aggregation in Visual Object Tracking
Authors: Hyunbin Choi, Jihyeon Noh, Changwon Lim
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In this paper, we propose SiamMask++, an architecture that performs layer-wise aggregation and depth-wise cross-correlation and introduce multi-RPN module and multi-MASK module to improve EAO (Expected Average Overlap), a representative performance evaluation metric for Visual Object Tracking (VOT) challenge. The proposed architecture, SiamMask++, has two versions, namely, bi_SiamMask++, which satisfies the real time (56fps) on systems equipped with GPUs (Titan XP), and rf_SiamMask++, which combines mask refinement modules for EAO improvements. Tests are performed on VOT2016, VOT2018 and VOT2019, the representative datasets of Visual Object Tracking tasks labeled as rotated bounding boxes. SiamMask++ perform better than SiamMask on all the three datasets tested. SiamMask++ is achieved performance of 62.6% accuracy, 26.2% robustness and 39.8% EAO, especially on the VOT2018 dataset. Compared to SiamMask, this is an improvement of 4.18%, 37.17%, 23.99%, respectively. In addition, we do an experimental in-depth analysis of how much the introduction of features and multi modules extracted from the backbone affects the performance of our model in the VOT task.Keywords: visual object tracking, video, deep learning, layer wise aggregation, Siamese network
Procedia PDF Downloads 1453215 Molecular Dynamics Simulations of the Structural, Elastic, and Thermodynamic Properties of Cubic AlBi
Authors: M. Zemouli, K. Amara, M. Elkeurti, Y. Benallou
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We present a theoretical study of the structural, elastic and thermodynamic properties of the zinc-blende AlBi for a wide temperature range. The simulation calculation is performed in the framework of the molecular dynamics method using the three-body Tersoff potential which reproduces provide, with reasonable accuracy, the lattice constants and elastic constants. Our results for the lattice constant, the bulk modulus and cohesive energy are in good agreement with other theoretical available works. Other thermodynamic properties such as the specific heat and the lattice thermal expansion can also be predicted. In addition, this method allows us to check its ability to predict the phase transition of this compound. In particular, the transition pressure to the rock-salt phase is calculated and the results are compared with other available works.Keywords: aluminium compounds, molecular dynamics simulations, interatomic potential, thermodynamic properties, structural phase transition
Procedia PDF Downloads 2973214 A Postcolonial Feminist Exploration of Zulu Girl Child’s Position and Gender Dynamics in Religio-Cultural Context
Authors: G. T. Ntuli
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This paper critically examines the gender dynamics of a Zulu girl child in her religio-cultural context from the postcolonial feminist perspective. As one of the former colonized ethnic groups in the South African context, the Zulu tribe used to have particular and contextual religio-cultural ways of a girl’s upbringing. This included traditional and cultural norms that any member of the community could not infringe without serious repercussions from the community members. However, the postcolonial social position of a girl child within this community became ambiguous and unpredictable due to colonial changes that enhanced gender dynamics that propelled tribal communities into deeper patriarchal structures. In the empirical study conducted within the Zulu context, which investigated the retrieval of ubuntombi (virginity) as a Zulu cultural heritage, identity and sex education as a path to adulthood, it was found that a Zulu girl child’s social position is geared towards double oppression due to gender dynamics that she experiences in her lifetime. It is these gender dynamics that are examined in this paper from the postcolonial feminist perspective. These gender dynamics are at play from the birth of a girl child, developmental stage to puberty and marriage rituals. These rituals and religio-cultural practices are meant to shape and mold a ‘good woman’ in the Zulu cultural context but social gender inequality that elevates males over females propel women social status into life denying peripheral positions. Consequently, in the place of a ‘good woman’ in the communal view, an oppressed and dehumanized woman becomes the outcome of such gender dynamics, more often treated with contempt, despised and violated in many demeaning ways. These do not only leave women economically and socio-politically impoverished, but also having to face violence of all kinds such as domestic, emotional, sexual and gender-based violence that are increasingly becoming a scourge in some of the sub-Saharan African countries including South Africa. It is for this reason that this paper becomes significant, not only within the Zulu context where the research was conducted, but also in all the countries that practice and promote patriarchal tendencies in the name of religio-cultural practices. There is a need for a different outlook as to what it means to be a ‘good woman’ in the cultural context, because if the goodness of a woman is determined by life denying cultural practices, such practices need to be deconstructed and discarded.Keywords: feminist, gender dynamics, postcolonial, religio-cultural, Zulu girl child
Procedia PDF Downloads 1503213 Computational Fluid Dynamics Study on Water Soot Blower Direction in Tangentially Fired Pulverized-Coal Boiler
Authors: Teewin Plangsrinont, Wasawat Nakkiew
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In this study, computational fluid dynamics (CFD) was utilized to simulate and predict the path of water from water soot blower through an ambient flow field in 300-megawatt tangentially burned pulverized coal boiler that utilizes a water soot blower as a cleaning device. To predict the position of the impact of water on the opposite side of the water soot blower under identical conditions, the nozzle size and water flow rate were fixed in this investigation. The simulation findings demonstrated a high degree of accuracy in predicting the direction of water flow to the boiler's water wall tube, which was validated by comparison to experimental data. Results show maximum deviation value of the water jet trajectory is 10.2 percent.Keywords: computational fluid dynamics, tangentially fired boiler, thermal power plant, water soot blower
Procedia PDF Downloads 1993212 A Web Service-Based Framework for Mining E-Learning Data
Authors: Felermino D. M. A. Ali, S. C. Ng
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E-learning is an evolutionary form of distance learning and has become better over time as new technologies emerged. Today, efforts are still being made to embrace E-learning systems with emerging technologies in order to make them better. Among these advancements, Educational Data Mining (EDM) is one that is gaining a huge and increasing popularity due to its wide application for improving the teaching-learning process in online practices. However, even though EDM promises to bring many benefits to educational industry in general and E-learning environments in particular, its principal drawback is the lack of easy to use tools. The current EDM tools usually require users to have some additional technical expertise to effectively perform EDM tasks. Thus, in response to these limitations, this study intends to design and implement an EDM application framework which aims at automating and simplify the development of EDM in E-learning environment. The application framework introduces a Service-Oriented Architecture (SOA) that hides the complexity of technical details and enables users to perform EDM in an automated fashion. The framework was designed based on abstraction, extensibility, and interoperability principles. The framework implementation was made up of three major modules. The first module provides an abstraction for data gathering, which was done by extending Moodle LMS (Learning Management System) source code. The second module provides data mining methods and techniques as services; it was done by converting Weka API into a set of Web services. The third module acts as an intermediary between the first two modules, it contains a user-friendly interface that allows dynamically locating data provider services, and running knowledge discovery tasks on data mining services. An experiment was conducted to evaluate the overhead of the proposed framework through a combination of simulation and implementation. The experiments have shown that the overhead introduced by the SOA mechanism is relatively small, therefore, it has been concluded that a service-oriented architecture can be effectively used to facilitate educational data mining in E-learning environments.Keywords: educational data mining, e-learning, distributed data mining, moodle, service-oriented architecture, Weka
Procedia PDF Downloads 2323211 Analysis of Dynamics Underlying the Observation Time Series by Using a Singular Spectrum Approach
Authors: O. Delage, H. Bencherif, T. Portafaix, A. Bourdier
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The main purpose of time series analysis is to learn about the dynamics behind some time ordered measurement data. Two approaches are used in the literature to get a better knowledge of the dynamics contained in observation data sequences. The first of these approaches concerns time series decomposition, which is an important analysis step allowing patterns and behaviors to be extracted as components providing insight into the mechanisms producing the time series. As in many cases, time series are short, noisy, and non-stationary. To provide components which are physically meaningful, methods such as Empirical Mode Decomposition (EMD), Empirical Wavelet Transform (EWT) or, more recently, Empirical Adaptive Wavelet Decomposition (EAWD) have been proposed. The second approach is to reconstruct the dynamics underlying the time series as a trajectory in state space by mapping a time series into a set of Rᵐ lag vectors by using the method of delays (MOD). Takens has proved that the trajectory obtained with the MOD technic is equivalent to the trajectory representing the dynamics behind the original time series. This work introduces the singular spectrum decomposition (SSD), which is a new adaptive method for decomposing non-linear and non-stationary time series in narrow-banded components. This method takes its origin from singular spectrum analysis (SSA), a nonparametric spectral estimation method used for the analysis and prediction of time series. As the first step of SSD is to constitute a trajectory matrix by embedding a one-dimensional time series into a set of lagged vectors, SSD can also be seen as a reconstruction method like MOD. We will first give a brief overview of the existing decomposition methods (EMD-EWT-EAWD). The SSD method will then be described in detail and applied to experimental time series of observations resulting from total columns of ozone measurements. The results obtained will be compared with those provided by the previously mentioned decomposition methods. We will also compare the reconstruction qualities of the observed dynamics obtained from the SSD and MOD methods.Keywords: time series analysis, adaptive time series decomposition, wavelet, phase space reconstruction, singular spectrum analysis
Procedia PDF Downloads 1003210 Investigation of Interaction between Interferons and Polyethylene Glycol Using Molecular Dynamics Simulation
Authors: M. Dehestani, F. Kamali, M. Klantari Pour, L. Zeidabadi-Nejad
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Chemical bonding between polyethylene glycol (PEG) with pharmaceutical proteins called pegylation is one of the most effective methods of improving the pharmacological properties. The covalent attachment of polyethylene glycol (PEG) to proteins will increase their pharmacologic properties. For the formation of a combination of pegylated protein should first be activated PEG and connected to the protein. Interferons(IFNs) are a family of cytokines which show antiviral effects in front of the biological and are responsible for setting safety system. In this study, the nature and properties of the interaction between active positions of IFNs and polyethylene glycol have been investigated using molecular dynamics simulation. The main aspect of this theoretical work focuses on the achievement of valuable data on the reaction pathways of PEG-IFNs and the transition state energy. Our results provide a new perspective on the interactions, chemical properties and reaction pathways between IFNs and PEG.Keywords: interaction, interferons, molecular dynamics simulation, polyethylene glycol
Procedia PDF Downloads 2353209 Real-Time Image Encryption Using a 3D Discrete Dual Chaotic Cipher
Authors: M. F. Haroun, T. A. Gulliver
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In this paper, an encryption algorithm is proposed for real-time image encryption. The scheme employs a dual chaotic generator based on a three dimensional (3D) discrete Lorenz attractor. Encryption is achieved using non-autonomous modulation where the data is injected into the dynamics of the master chaotic generator. The second generator is used to permute the dynamics of the master generator using the same approach. Since the data stream can be regarded as a random source, the resulting permutations of the generator dynamics greatly increase the security of the transmitted signal. In addition, a technique is proposed to mitigate the error propagation due to the finite precision arithmetic of digital hardware. In particular, truncation and rounding errors are eliminated by employing an integer representation of the data which can easily be implemented. The simple hardware architecture of the algorithm makes it suitable for secure real-time applications.Keywords: chaotic systems, image encryption, non-autonomous modulation, FPGA
Procedia PDF Downloads 5033208 Population Dynamics of Juvenile Dusky Groupers, Epinephelus Marginatus: "Lowe, 1834" From Two Sites in Terceira Island, Azores, Portugal
Authors: Regina Streltsov
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The Archipelago of the Azores in the NE Atlantic is a hot spot of marine biodiversity, both pelagic and demersal. Epinephelus marginatus is a solitary species commonly observed in these waters, with distinct territorial/residential behaviors from their post- larva and juvenile stages to the adult phase. Being commercially high valued species, about 13% of all groupers (Family Epinephelidae) face an increasing pressure that has produced known impacts in both the abundance and distribution of this group of fishes. Epinephelus marginatus is currently assessed by the IUCN as a vulnerable species. Dusky gropers inhabit rocky bottoms from shallow waters down to 200 m. Juveniles are usually found in shallow shoreline waters. Population dynamics of juveniles can lead to a better understanding of the competition for resources and predation and further conservation measures that must be taken upon dusky groupers. This study is carried out in rocky reefs from two sheltered bays on the south and north coast of the island in two different spots with four sampling sites in total. Using Transects individuals are counted at the peak of high tide and all abiotic factors are recorded. Our goal is to complete a statistically significant number of observations in order to detail these populations and to better understand their dynamics and dimension.Keywords: Azores, dusky groupers, Epinephelus marginatus, population dynamics
Procedia PDF Downloads 1523207 Detecting Memory-Related Gene Modules in sc/snRNA-seq Data by Deep-Learning
Authors: Yong Chen
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To understand the detailed molecular mechanisms of memory formation in engram cells is one of the most fundamental questions in neuroscience. Recent single-cell RNA-seq (scRNA-seq) and single-nucleus RNA-seq (snRNA-seq) techniques have allowed us to explore the sparsely activated engram ensembles, enabling access to the molecular mechanisms that underlie experience-dependent memory formation and consolidation. However, the absence of specific and powerful computational methods to detect memory-related genes (modules) and their regulatory relationships in the sc/snRNA-seq datasets has strictly limited the analysis of underlying mechanisms and memory coding principles in mammalian brains. Here, we present a deep-learning method named SCENTBOX, to detect memory-related gene modules and causal regulatory relationships among themfromsc/snRNA-seq datasets. SCENTBOX first constructs codifferential expression gene network (CEGN) from case versus control sc/snRNA-seq datasets. It then detects the highly correlated modules of differential expression genes (DEGs) in CEGN. The deep network embedding and attention-based convolutional neural network strategies are employed to precisely detect regulatory relationships among DEG genes in a module. We applied them on scRNA-seq datasets of TRAP; Ai14 mouse neurons with fear memory and detected not only known memory-related genes, but also the modules and potential causal regulations. Our results provided novel regulations within an interesting module, including Arc, Bdnf, Creb, Dusp1, Rgs4, and Btg2. Overall, our methods provide a general computational tool for processing sc/snRNA-seq data from case versus control studie and a systematic investigation of fear-memory-related gene modules.Keywords: sc/snRNA-seq, memory formation, deep learning, gene module, causal inference
Procedia PDF Downloads 1163206 Numerical Model to Study Calcium and Inositol 1,4,5-Trisphosphate Dynamics in a Myocyte Cell
Authors: Nisha Singh, Neeru Adlakha
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Calcium signalling is one of the most important intracellular signalling mechanisms. A lot of approaches and investigators have been made in the study of calcium signalling in various cells to understand its mechanisms over recent decades. However, most of existing investigators have mainly focussed on the study of calcium signalling in various cells without paying attention to the dependence of calcium signalling on other chemical ions like inositol-1; 4; 5 triphosphate ions, etc. Some models for the independent study of calcium signalling and inositol-1; 4; 5 triphosphate signalling in various cells are present but very little attention has been paid by the researchers to study the interdependence of these two signalling processes in a cell. In this paper, we propose a coupled mathematical model to understand the interdependence of inositol-1; 4; 5 triphosphate dynamics and calcium dynamics in a myocyte cell. Such studies will provide the deeper understanding of various factors involved in calcium signalling in myocytes, which may be of great use to biomedical scientists for various medical applications.Keywords: calcium signalling, coupling, finite difference method, inositol 1, 4, 5-triphosphate
Procedia PDF Downloads 2843205 Reconfigurable Consensus Achievement of Multi Agent Systems Subject to Actuator Faults in a Leaderless Architecture
Authors: F. Amirarfaei, K. Khorasani
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In this paper, reconfigurable consensus achievement of a team of agents with marginally stable linear dynamics and single input channel has been considered. The control algorithm is based on a first order linear protocol. After occurrence of a LOE fault in one of the actuators, using the imperfect information of the effectiveness of the actuators from fault detection and identification module, the control gain is redesigned in a way to still reach consensus. The idea is based on the modeling of change in effectiveness as change of Laplacian matrix. Then as special cases of this class of systems, a team of single integrators as well as double integrators are considered and their behavior subject to a LOE fault is considered. The well-known relative measurements consensus protocol is applied to a leaderless team of single integrator as well as double integrator systems, and Gersgorin disk theorem is employed to determine whether fault occurrence has an effect on system stability and team consensus achievement or not. The analyses show that loss of effectiveness fault in actuator(s) of integrator systems affects neither system stability nor consensus achievement.Keywords: multi-agent system, actuator fault, stability analysis, consensus achievement
Procedia PDF Downloads 3273204 Building User Behavioral Models by Processing Web Logs and Clustering Mechanisms
Authors: Madhuka G. P. D. Udantha, Gihan V. Dias, Surangika Ranathunga
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Today Websites contain very interesting applications. But there are only few methodologies to analyze User navigations through the Websites and formulating if the Website is put to correct use. The web logs are only used if some major attack or malfunctioning occurs. Web Logs contain lot interesting dealings on users in the system. Analyzing web logs has become a challenge due to the huge log volume. Finding interesting patterns is not as easy as it is due to size, distribution and importance of minor details of each log. Web logs contain very important data of user and site which are not been put to good use. Retrieving interesting information from logs gives an idea of what the users need, group users according to their various needs and improve site to build an effective and efficient site. The model we built is able to detect attacks or malfunctioning of the system and anomaly detection. Logs will be more complex as volume of traffic and the size and complexity of web site grows. Unsupervised techniques are used in this solution which is fully automated. Expert knowledge is only used in validation. In our approach first clean and purify the logs to bring them to a common platform with a standard format and structure. After cleaning module web session builder is executed. It outputs two files, Web Sessions file and Indexed URLs file. The Indexed URLs file contains the list of URLs accessed and their indices. Web Sessions file lists down the indices of each web session. Then DBSCAN and EM Algorithms are used iteratively and recursively to get the best clustering results of the web sessions. Using homogeneity, completeness, V-measure, intra and inter cluster distance and silhouette coefficient as parameters these algorithms self-evaluate themselves to input better parametric values to run the algorithms. If a cluster is found to be too large then micro-clustering is used. Using Cluster Signature Module the clusters are annotated with a unique signature called finger-print. In this module each cluster is fed to Associative Rule Learning Module. If it outputs confidence and support as value 1 for an access sequence it would be a potential signature for the cluster. Then the access sequence occurrences are checked in other clusters. If it is found to be unique for the cluster considered then the cluster is annotated with the signature. These signatures are used in anomaly detection, prevent cyber attacks, real-time dashboards that visualize users, accessing web pages, predict actions of users and various other applications in Finance, University Websites, News and Media Websites etc.Keywords: anomaly detection, clustering, pattern recognition, web sessions
Procedia PDF Downloads 2803203 Mechanical Properties of Carbon Nanofiber Reinforced Polymer Composites-Molecular Dynamics Approach
Authors: Sumit Sharma, Rakesh Chandra, Pramod Kumar, Navin Kumar
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Molecular dynamics (MD) simulation has been used to study the effect of carbon nanofiber (CNF) volume fraction (Vf) and aspect ratio (l/d) on mechanical properties of CNF reinforced polypropylene (PP) composites. Materials Studio 5.5 has been used as a tool for finding the modulus and damping in composites. CNF composition in PP was varied by volume from 0 to 16%. Aspect ratio of CNF was varied from l/d=5 to l/d=100. To the best of the knowledge of the authors, till date there is no study, either experimental or analytical, which predict damping for CNF-PP composites at the nanoscale. Hence, this will be a valuable addition in the area of nanocomposites. Results show that with only 2% addition by volume of CNF in PP, E11 increases 748%. Increase in E22 is very less in comparison to the increase in E11. With increase in CNF aspect ratio (l/d) till l/d=60, the longitudinal loss factor (η11) decreases rapidly. Results of this study have been compared with those available in literature.Keywords: carbon nanofiber, elasticity, mechanical properties, molecular dynamics
Procedia PDF Downloads 4783202 Optimization of SWL Algorithms Using Alternative Adder Module in FPGA
Authors: Tayab D. Memon, Shahji Farooque, Marvi Deshi, Imtiaz Hussain Kalwar, B. S. Chowdhry
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Recently single-bit ternary FIR-like filter (SBTFF) hardware synthesize in FPGA is reported and compared with multi-bit FIR filter on similar spectral characteristics. Results shows that SBTFF dominates upon multi-bit filter overall. In this paper, an optimized adder module for ternary quantized sigma-delta modulated signal is presented. The adder is simulated using ModelSim for functional verification the area-performance of the proposed adder were obtained through synthesis in Xilinx and compared to conventional adder trees. The synthesis results show that the proposed adder tree achieves higher clock rates and lower chip area at higher inputs to the adder block; whereas conventional adder tree achieves better performance and lower chip area at lower number of inputs to the same adder block. These results enhance the usefulness of existing short word length DSP algorithms for fast and efficient mobile communication.Keywords: short word length (SWL), DSP algorithms, FPGA, SBTFF, VHDL
Procedia PDF Downloads 3393201 Inverse Dynamics of the Mould Base of Blow Molding Machines
Authors: Vigen Arakelian
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This paper deals with the study of devices for displacement of the mould base of blow-molding machines. The displacement of the mould in the studied case is carried out by a linear actuator, which ensures the descent of the mould base and by extension springs, which return the letter in the initial position. The aim of this paper is to study the inverse dynamics of the device for displacement of the mould base of blow-molding machines and to determine its optimum parameters for higher rate of production. In the other words, it is necessary to solve the inverse dynamic problem to find the equation of motion linking applied forces with displacements. This makes it possible to determine the stiffness coefficient of the spring to turn the mold base back to the initial position for a given time. The obtained results are illustrated by a numerical example. It is shown that applying a spring with stiffness returns the mould base of the blow molding machine into the initial position in 0.1 sec.Keywords: design, mechanisms, dynamics, blow-molding machines
Procedia PDF Downloads 1453200 Intrusion Detection in SCADA Systems
Authors: Leandros A. Maglaras, Jianmin Jiang
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The protection of the national infrastructures from cyberattacks is one of the main issues for national and international security. The funded European Framework-7 (FP7) research project CockpitCI introduces intelligent intrusion detection, analysis and protection techniques for Critical Infrastructures (CI). The paradox is that CIs massively rely on the newest interconnected and vulnerable Information and Communication Technology (ICT), whilst the control equipment, legacy software/hardware, is typically old. Such a combination of factors may lead to very dangerous situations, exposing systems to a wide variety of attacks. To overcome such threats, the CockpitCI project combines machine learning techniques with ICT technologies to produce advanced intrusion detection, analysis and reaction tools to provide intelligence to field equipment. This will allow the field equipment to perform local decisions in order to self-identify and self-react to abnormal situations introduced by cyberattacks. In this paper, an intrusion detection module capable of detecting malicious network traffic in a Supervisory Control and Data Acquisition (SCADA) system is presented. Malicious data in a SCADA system disrupt its correct functioning and tamper with its normal operation. OCSVM is an intrusion detection mechanism that does not need any labeled data for training or any information about the kind of anomaly is expecting for the detection process. This feature makes it ideal for processing SCADA environment data and automates SCADA performance monitoring. The OCSVM module developed is trained by network traces off line and detects anomalies in the system real time. The module is part of an IDS (intrusion detection system) developed under CockpitCI project and communicates with the other parts of the system by the exchange of IDMEF messages that carry information about the source of the incident, the time and a classification of the alarm.Keywords: cyber-security, SCADA systems, OCSVM, intrusion detection
Procedia PDF Downloads 5383199 AI Predictive Modeling of Excited State Dynamics in OPV Materials
Authors: Pranav Gunhal., Krish Jhurani
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This study tackles the significant computational challenge of predicting excited state dynamics in organic photovoltaic (OPV) materials—a pivotal factor in the performance of solar energy solutions. Time-dependent density functional theory (TDDFT), though effective, is computationally prohibitive for larger and more complex molecules. As a solution, the research explores the application of transformer neural networks, a type of artificial intelligence (AI) model known for its superior performance in natural language processing, to predict excited state dynamics in OPV materials. The methodology involves a two-fold process. First, the transformer model is trained on an extensive dataset comprising over 10,000 TDDFT calculations of excited state dynamics from a diverse set of OPV materials. Each training example includes a molecular structure and the corresponding TDDFT-calculated excited state lifetimes and key electronic transitions. Second, the trained model is tested on a separate set of molecules, and its predictions are rigorously compared to independent TDDFT calculations. The results indicate a remarkable degree of predictive accuracy. Specifically, for a test set of 1,000 OPV materials, the transformer model predicted excited state lifetimes with a mean absolute error of 0.15 picoseconds, a negligible deviation from TDDFT-calculated values. The model also correctly identified key electronic transitions contributing to the excited state dynamics in 92% of the test cases, signifying a substantial concordance with the results obtained via conventional quantum chemistry calculations. The practical integration of the transformer model with existing quantum chemistry software was also realized, demonstrating its potential as a powerful tool in the arsenal of materials scientists and chemists. The implementation of this AI model is estimated to reduce the computational cost of predicting excited state dynamics by two orders of magnitude compared to conventional TDDFT calculations. The successful utilization of transformer neural networks to accurately predict excited state dynamics provides an efficient computational pathway for the accelerated discovery and design of new OPV materials, potentially catalyzing advancements in the realm of sustainable energy solutions.Keywords: transformer neural networks, organic photovoltaic materials, excited state dynamics, time-dependent density functional theory, predictive modeling
Procedia PDF Downloads 1063198 Investigation and Analysis of Vortex-Induced Vibrations in Sliding Gate Valves Using Computational Fluid Dynamics
Authors: Kianoosh Ahadi, Mustafa Ergil
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In this study, the event of vibrations caused by vortexes and the distribution of induced hydrodynamic forces due to vortexes on the sliding gate valves has been investigated. For this reason, a sliding valve with the help of computational fluid dynamics (CFD) software was simulated in two-dimensional )2D(, where the flow and turbulence equations were solved for three different valve openings (full, half, and 16.7 %) models. The variety of vortexes formed within the vicinity of the valve structure was investigated based on time where the trend of fluctuations and their occurrence regions have been detected. From the gathered solution dataset of the numerical simulations, the pressure coefficient (CP), the lift force coefficient (CL), the drag force coefficient (CD), and the momentum coefficient due to hydrodynamic forces (CM) were examined, and relevant figures were generated were from these results, the vortex-induced vibrations were analyzed.Keywords: induced vibrations, computational fluid dynamics, sliding gate valves, vortexes
Procedia PDF Downloads 1073197 A Transfer Function Representation of Thermo-Acoustic Dynamics for Combustors
Authors: Myunggon Yoon, Jung-Ho Moon
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In this paper, we present a transfer function representation of a general one-dimensional combustor. The input of the transfer function is a heat rate perturbation of a burner and the output is a flow velocity perturbation at the burner. This paper considers a general combustor model composed of multiple cans with different cross sectional areas, along with a non-zero flow rate.Keywords: combustor, dynamics, thermoacoustics, transfer function
Procedia PDF Downloads 3733196 Decision Analysis Module for Excel
Authors: Radomir Perzina, Jaroslav Ramik
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The Analytic Hierarchy Process is frequently used approach for solving decision making problems. There exists wide range of software programs utilizing that approach. Their main disadvantage is that they are relatively expensive and missing intermediate calculations. This work introduces a Microsoft Excel add-in called DAME – Decision Analysis Module for Excel. Comparing to other computer programs DAME is free, can work with scenarios or multiple decision makers and displays intermediate calculations. Users can structure their decision models into three levels – scenarios/users, criteria and variants. Items on all levels can be evaluated either by weights or pair-wise comparisons. There are provided three different methods for the evaluation of the weights of criteria, the variants as well as the scenarios – Saaty’s Method, Geometric Mean Method and Fuller’s Triangle Method. Multiplicative and additive syntheses are supported. The proposed software package is demonstrated on couple of illustrating examples of real life decision problems.Keywords: analytic hierarchy process, multi-criteria decision making, pair-wise comparisons, Microsoft Excel, scenarios
Procedia PDF Downloads 4433195 Analysis of the Use of a NAO Robot to Improve Social Skills in Children with Autism Spectrum Disorder in Saudi Arabia
Authors: Eman Alarfaj, Hissah Alabdullatif, Huda Alabdullatif, Ghazal Albakri, Nor Shahriza Abdul Karim
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Autism Spectrum Disorder is extensively spread amid children; it affects their social, communication and interactive skills. As robotics technology has been proven to be a significant helpful utility those able individuals to overcome their disabilities. Robotic technology is used in ASD therapy. The purpose of this research is to show how Nao robots can improve the social skills for children who suffer from autism in Saudi Arabia by interacting with the autistic child and perform a number of tasks. The objective of this research is to identify, implement, and test the effectiveness of the module for interacting with ASD children in an autism center in Saudi Arabia. The methodology in this study followed the ten layers of protocol that needs to be followed during any human-robot interaction. Also, in order to elicit the scenario module, TEACCH Autism Program was adopted. Six different qualified interaction modules have been elicited and designed in this study; the robot will be programmed to perform these modules in a series of controlled interaction sessions with the Autistic children to enhance their social skills.Keywords: humanoid robot Nao, ASD, human-robot interaction, social skills
Procedia PDF Downloads 2573194 A Location-Based Search Approach According to Users’ Application Scenario
Authors: Shih-Ting Yang, Chih-Yun Lin, Ming-Yu Li, Jhong-Ting Syue, Wei-Ming Huang
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Global positioning system (GPS) has become increasing precise in recent years, and the location-based service (LBS) has developed rapidly. Take the example of finding a parking lot (such as Parking apps). The location-based service can offer immediate information about a nearby parking lot, including the information about remaining parking spaces. However, it cannot provide expected search results according to the requirement situations of users. For that reason, this paper develops a “Location-based Search Approach according to Users’ Application Scenario” according to the location-based search and demand determination to help users obtain the information consistent with their requirements. The “Location-based Search Approach based on Users’ Application Scenario” of this paper consists of one mechanism and three kernel modules. First, in the Information Pre-processing Mechanism (IPM), this paper uses the cosine theorem to categorize the locations of users. Then, in the Information Category Evaluation Module (ICEM), the kNN (k-Nearest Neighbor) is employed to classify the browsing records of users. After that, in the Information Volume Level Determination Module (IVLDM), this paper makes a comparison between the number of users’ clicking the information at different locations and the average number of users’ clicking the information at a specific location, so as to evaluate the urgency of demand; then, the two-dimensional space is used to estimate the application situations of users. For the last step, in the Location-based Search Module (LBSM), this paper compares all search results and the average number of characters of the search results, categorizes the search results with the Manhattan Distance, and selects the results according to the application scenario of users. Additionally, this paper develops a Web-based system according to the methodology to demonstrate practical application of this paper. The application scenario-based estimate and the location-based search are used to evaluate the type and abundance of the information expected by the public at specific location, so that information demanders can obtain the information consistent with their application situations at specific location.Keywords: data mining, knowledge management, location-based service, user application scenario
Procedia PDF Downloads 1163193 Lattice Dynamics of (ND4Br)x(KBr)1-x Mixed Crystals
Authors: Alpana Tiwari, N. K. Gaur
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We have incorporated the translational rotational (TR) coupling effects in the framework of three body force shell model (TSM) to develop an extended TSM (ETSM). The dynamical matrix of ETSM has been applied to compute the phonon frequencies of orientationally disordered mixed crystal (ND4Br)x(KBr)1-x in (q00), (qq0) and (qqq) symmetry directions for compositions 0.10≤x≤0.50 at T=300K.These frequencies are plotted as a function of wave vector k. An unusual acoustic mode softening is found along symmetry directions (q00) and (qq0) as a result of translation-rotation coupling.Keywords: orientational glass, phonons, TR-coupling, lattice dynamics
Procedia PDF Downloads 2993192 Performance of Partially Covered N Number of Photovoltaic Thermal (PVT) - Compound Parabolic Concentrator (CPC) Series Connected Water Heating System
Authors: Rohit Tripathi, Sumit Tiwari, G. N. Tiwari
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In present study, an approach is adopted where photovoltaic thermal flat plate collector is integrated with compound parabolic concentrator. Analytical expression of temperature dependent electrical efficiency of N number of partially covered Photovoltaic Thermal (PVT) - Compound Parabolic Concentrator (CPC) water collector connected in series has been derived with the help of basic thermal energy balance equations. Analysis has been carried for winter weather condition at Delhi location, India. Energy and exergy performance of N - partially covered Photovoltaic Thermal (PVT) - Compound Parabolic Concentrator (CPC) Water collector system has been compared for two cases: (i) 25% area of water collector covered by PV module, (ii) 75% area of water collector covered by PV module. It is observed that case (i) has been best suited for thermal performance and case (ii) for electrical energy as well as overall exergy.Keywords: compound parabolic concentrator, energy, photovoltaic thermal, temperature dependent electrical efficiency
Procedia PDF Downloads 4003191 Examining the Relational Approach Elements in City Development Strategy of Qazvin 2031
Authors: Majid Etaati, Hamid Majedi
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Relational planning approach proposed by Patsy Healey goes beyond the physical proximity and emphasizes social proximity. This approach stresses the importance of nodes and flows between nodes. Current plans in European cities have incrementally incorporated this approach, but urban plans in Iran have still stayed very detailed and rigid. In response to the weak evaluation results of the comprehensive planning approach in Qazvin, the local authorities applied the City Development Strategy (CDS) to cope with new urban challenges. The paper begins with an explanation of relational planning and suggests that Healey gives urban planners about spatial strategies and then it surveys relational factors in CDS of Qazvin. This study analyzes the extent which CDS of Qazvin have highlighted nodes, flows, and dynamics. In the end, the study concludes that there is a relational understanding of urban dynamics in the plan, but it is weak.Keywords: relational, dynamics, city development strategy, urban planning, Qazvin
Procedia PDF Downloads 1373190 Diabetes Diagnosis Model Using Rough Set and K- Nearest Neighbor Classifier
Authors: Usiobaifo Agharese Rosemary, Osaseri Roseline Oghogho
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Diabetes is a complex group of disease with a variety of causes; it is a disorder of the body metabolism in the digestion of carbohydrates food. The application of machine learning in the field of medical diagnosis has been the focus of many researchers and the use of recognition and classification model as a decision support tools has help the medical expert in diagnosis of diseases. Considering the large volume of medical data which require special techniques, experience, and high diagnostic skill in the diagnosis of diseases, the application of an artificial intelligent system to assist medical personnel in order to enhance their efficiency and accuracy in diagnosis will be an invaluable tool. In this study will propose a diabetes diagnosis model using rough set and K-nearest Neighbor classifier algorithm. The system consists of two modules: the feature extraction module and predictor module, rough data set is used to preprocess the attributes while K-nearest neighbor classifier is used to classify the given data. The dataset used for this model was taken for University of Benin Teaching Hospital (UBTH) database. Half of the data was used in the training while the other half was used in testing the system. The proposed model was able to achieve over 80% accuracy.Keywords: classifier algorithm, diabetes, diagnostic model, machine learning
Procedia PDF Downloads 3283189 Building an Opinion Dynamics Model from Experimental Data
Authors: Dino Carpentras, Paul J. Maher, Caoimhe O'Reilly, Michael Quayle
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Opinion dynamics is a sub-field of agent-based modeling that focuses on people’s opinions and their evolutions over time. Despite the rapid increase in the number of publications in this field, it is still not clear how to apply these models to real-world scenarios. Indeed, there is no agreement on how people update their opinion while interacting. Furthermore, it is not clear if different topics will show the same dynamics (e.g., more polarized topics may behave differently). These problems are mostly due to the lack of experimental validation of the models. Some previous studies started bridging this gap in the literature by directly measuring people’s opinions before and after the interaction. However, these experiments force people to express their opinion as a number instead of using natural language (and then, eventually, encoding it as numbers). This is not the way people normally interact, and it may strongly alter the measured dynamics. Another limitation of these studies is that they usually average all the topics together, without checking if different topics may show different dynamics. In our work, we collected data from 200 participants on 5 unpolarized topics. Participants expressed their opinions in natural language (“agree” or “disagree”). We also measured the certainty of their answer, expressed as a number between 1 and 10. However, this value was not shown to other participants to keep the interaction based on natural language. We then showed the opinion (and not the certainty) of another participant and, after a distraction task, we repeated the measurement. To make the data compatible with opinion dynamics models, we multiplied opinion and certainty to obtain a new parameter (here called “continuous opinion”) ranging from -10 to +10 (using agree=1 and disagree=-1). We firstly checked the 5 topics individually, finding that all of them behaved in a similar way despite having different initial opinions distributions. This suggested that the same model could be applied for different unpolarized topics. We also observed that people tend to maintain similar levels of certainty, even when they changed their opinion. This is a strong violation of what is suggested from common models, where people starting at, for example, +8, will first move towards 0 instead of directly jumping to -8. We also observed social influence, meaning that people exposed with “agree” were more likely to move to higher levels of continuous opinion, while people exposed with “disagree” were more likely to move to lower levels. However, we also observed that the effect of influence was smaller than the effect of random fluctuations. Also, this configuration is different from standard models, where noise, when present, is usually much smaller than the effect of social influence. Starting from this, we built an opinion dynamics model that explains more than 80% of data variance. This model was also able to show the natural conversion of polarization from unpolarized states. This experimental approach offers a new way to build models grounded on experimental data. Furthermore, the model offers new insight into the fundamental terms of opinion dynamics models.Keywords: experimental validation, micro-dynamics rule, opinion dynamics, update rule
Procedia PDF Downloads 1053188 Biaxial Buckling of Single Layer Graphene Sheet Based on Nonlocal Plate Model and Molecular Dynamics Simulation
Authors: R. Pilafkan, M. Kaffash Irzarahimi, S. F. Asbaghian Namin
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The biaxial buckling behavior of single-layered graphene sheets (SLGSs) is studied in the present work. To consider the size-effects in the analysis, Eringen’s nonlocal elasticity equations are incorporated into classical plate theory (CLPT). A Generalized Differential Quadrature Method (GDQM) approach is utilized and numerical solutions for the critical buckling loads are obtained. Then, molecular dynamics (MD) simulations are performed for a series of zigzag SLGSs with different side-lengths and with various boundary conditions, the results of which are matched with those obtained by the nonlocal plate model to numerical the appropriate values of nonlocal parameter relevant to each type of boundary conditions.Keywords: biaxial buckling, single-layered graphene sheets, nonlocal elasticity, molecular dynamics simulation, classical plate theory
Procedia PDF Downloads 272