Search results for: phase field crystal model

Authors: Tai-Hsing Lee, Zhe-Wei Lin

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This paper demonstrates an ultra-wide tuning VCO implemented by CMOS 0.18μm process technology. By employing the proposed technique of magnetic energy adjustment in the oscillator tank, our proposed VCO achieves a wide frequency tuning range of 69.46% from 0.9 GHz to 1.86 GHz. The phase noise at an operating frequency of 1.86 GHz is -110 dBc/Hz (Offset frequency=1MHz). Furthermore, it achieves an excellent FOMT of 190.03 dBc/Hz.

Keywords: VCO, Ultra-wide tuning, Frequency tuning range, phase noise, Magnetic energy adjustment

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Authors: Sungin Jeong

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This paper presents a linear oscillating generator of cylindrical type for hybrid electric vehicle application. The focus of the study is the suggestion of the optimal model and the design rule of the cylindrical linear oscillating generator with permanent magnet in the back-iron translator. The cylindrical topology is achieved using equivalent magnetic circuit considering leakage elements as initial modeling. This topology with permanent magnet in the back-iron translator is described by number of phases and displacement of stroke. For more accurate analysis of an oscillating machine, it will be compared by moving just one-pole pitch forward and backward the thrust of single-phase system and three-phase system. Through the analysis and comparison, a single-phase system of cylindrical topology as the optimal topology is selected. Finally, the detailed design of the optimal topology takes the magnetic saturation effects into account by finite element analysis. Besides, the losses are examined to obtain more accurate results; copper loss in the conductors of machine windings, eddy-current loss of permanent magnet, and iron-loss of specific material of electrical steel. The considerations of thermal performances and mechanical robustness are essential, because they have an effect on the entire efficiency and the insulations of the machine due to the losses of the high temperature generated in each region of the generator. Besides electric machine with linear oscillating movement requires a support system that can resist dynamic forces and mechanical masses. As a result, the fatigue analysis of shaft is achieved by the kinetic equations. Also, the thermal characteristics are analyzed by the operating frequency in each region. The results of this study will give a very important design rule in the design of linear oscillating machines. It enables us to more accurate machine design and more accurate prediction of machine performances.

Keywords: equivalent magnetic circuit, finite element analysis, hybrid electric vehicle, linear oscillating generator

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Authors: Zhou Yang, Heli Sun, Jianbin Huang, Jizhong Zhao, Shaojie Qiao

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Traffic prediction is essential in a multitude of ways in modern urban life. The researchers of earlier work in this domain carry out the investigation chiefly with two major focuses: (1) the accurate forecast of future values in multiple time series and (2) knowledge extraction from spatial-temporal correlations. However, two key considerations for traffic prediction are often missed: the completeness of raw data and the full context of the prediction timestamp. Concentrating on the two drawbacks of earlier work, we devise an approach that can address these issues in a two-phase framework. First, we utilize the raw trajectories to a greater extent through building a VLA table and data compression. We obtain the intra-trajectory features with graph-based encoding and the intertrajectory ones with a grid-based model and the technique of back projection that restore their surrounding high-resolution spatial-temporal environment. To the best of our knowledge, we are the first to study direct feature extraction from raw trajectories for traffic prediction and attempt the use of raw data with the least degree of reduction. In the prediction phase, we provide a broader context for the prediction timestamp by taking into account the information that are around it in the training dataset. Extensive experiments on several well-known datasets have verified the effectiveness of our solution that combines the strength of raw trajectory data and prediction context. In terms of performance, our approach surpasses several state-of-the-art methods for traffic prediction.

Keywords: traffic prediction, raw data utilization, context building, data reduction

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Authors: Eunji Choi, Borang Park, Youngjae Choi, Jinwoo Moon

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In this study, a predictive model for estimating the metabolism (MET) of human body was developed for the optimal control of indoor thermal environment. Human body images for indoor activities and human body joint coordinated values were collected as data sets, which are used in predictive model. A deep learning algorithm was used in an initial model, and its number of hidden layers and hidden neurons were optimized. Lastly, the model prediction performance was analyzed after the model being trained through collected data. In conclusion, the possibility of MET prediction was confirmed, and the direction of the future study was proposed as developing various data and the predictive model.

Keywords: deep learning, indoor quality, metabolism, predictive model

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Authors: Nafiseh Ebrahimi, Amir Jafari

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The study of humanoid character is of great interest to researchers in the field of robotics and biomechanics. One might want to know the forces and torques required to move a limb from an initial position to the desired destination position. Inverse dynamics is a helpful method to compute the force and torques for an articulated body limb. It enables us to know the joint torques required to rotate a link between two positions. Our goal in this study was to control a human-like articulated manipulator for a specific task of path tracking. For this purpose, the human arm was modeled with a three-link planar manipulator activated by Hill muscle model. Applying a proportional controller, values of force and torques applied to the joints were calculated by inverse dynamics, and then joints and muscle forces trajectories were computed and presented. To be more accurate to say, the kinematics of the muscle-joint space was formulated by which we defined the relationship between the muscle lengths and the geometry of the links and joints. Secondary, the kinematic of the links was introduced to calculate the position of the end-effector in terms of geometry. Then, we considered the modeling of Hill muscle dynamics, and after calculation of joint torques, finally, we applied them to the dynamics of the three-link manipulator obtained from the inverse dynamics to calculate the joint states, find and control the location of manipulator’s end-effector. The results show that the human arm model was successfully controlled to take the designated path of an ellipse precisely.

Keywords: arm manipulator, hill muscle model, six-muscle model, three-link lodel

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Authors: Sujay Bisht

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The purpose of the study was to assess and examines the pattern of injury among the field hockey players at different field position during practice & game. It was hypothesized that the backfield might have the height rate of injury, followed by midfield. Methods: university level and national level male field hockey (N=60) are selected as a subject and requested to respond an anon questionnaire. Personal characteristics of each and individual players were also collected like (age, height, weight); field hockey professional information (level of play, year of experience, playing surface); players injury history (site, types, cause etc). The rates of injury per athlete per year were also calculated. Result: Around half of the injury occurred were to the lower limbs (49%) followed by head and face (30%), upper limbs (19%) and torso region (2%). Injuries included concussion, wounds, broken nose, ligament sprain, dislocation, fracture, and muscles strain and knee injury. The ligament sprain is the highest rate (40%) among the other types of injuries. After investigation and evaluation backfield players had the highest rate of risk of injury (1.10 injury/athletes-year) followed by midfield players (0.70 injury/athlete-year), forward players (0.45 injury/athlete-year) & goalkeeper was (0.37 injury/athlete-year). Conclusion: Due to the different field position the pattern & rate of injury were different. After evaluation, lower limbs had the highest rate of injury followed by head and face, upper limbs and torso respectively. It also revealed that not only there is a difference in the rate of injury between playing the position, but also in the types of injury sustain at a different position.

Keywords: trauma, sprain, strain, astroturf, acute injury

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Authors: Alan Wan

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In recent years, the body of literature on frequentist model averaging in statistics has grown significantly. Most of this work focuses on models with different mean structures but leaves out the variance consideration. In this paper, we consider a regression model with multiplicative heteroscedasticity and develop a model averaging method that combines maximum likelihood estimators of unknown parameters in both the mean and variance functions of the model. Our weight choice criterion is based on a minimisation of a plug-in estimator of the model average estimator's squared prediction risk. We prove that the new estimator possesses an asymptotic optimality property. Our investigation of finite-sample performance by simulations demonstrates that the new estimator frequently exhibits very favourable properties compared to some existing heteroscedasticity-robust model average estimators. The model averaging method hedges against the selection of very bad models and serves as a remedy to variance function misspecification, which often discourages practitioners from modeling heteroscedasticity altogether. The proposed model average estimator is applied to the analysis of two real data sets.

Keywords: heteroscedasticity-robust, model averaging, multiplicative heteroscedasticity, plug-in, squared prediction risk

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Authors: Arina V. Tankanag, Gennady V. Krasnikov, Nikolai K. Chemeris

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The development of respiration-dependent oscillations in the peripheral blood flow may occur by at least two mechanisms. The first mechanism is related to the change of venous pressure due to mechanical activity of lungs. This phenomenon is known as ‘respiratory pump’ and is one of the mechanisms of venous return of blood from the peripheral vessels to the heart. The second mechanism is related to the vasomotor reflexes controlled by the respiratory modulation of the activity of centers of the vegetative nervous system. Early high phase synchronization of respiration-dependent blood flow oscillations of left and right forearm skin in healthy volunteers at rest was shown. The aim of the work was to study the effect of deep controlled breathing on the phase synchronization of skin blood flow oscillations. 29 normotensive non-smoking young women (18-25 years old) of the normal constitution without diagnosed pathologies of skin, cardiovascular and respiratory systems participated in the study. For each of the participants six recording sessions were carried out: first, at the spontaneous breathing rate; and the next five, in the regimes of controlled breathing with fixed breathing depth and different rates of enforced breathing regime. The following rates of controlled breathing regime were used: 0.25, 0.16, 0.10, 0.07 and 0.05 Hz. The breathing depth amounted to 40% of the maximal chest excursion. Blood perfusion was registered by laser flowmeter LAKK-02 (LAZMA, Russia) with two identical channels (wavelength 0.63 µm; emission power, 0.5 mW). The first probe was fastened to the palmar surface of the distal phalanx of left forefinger; the second probe was attached to the external surface of the left forearm near the wrist joint. These skin zones were chosen as zones with different dominant mechanisms of vascular tonus regulation. The degree of phase synchronization of the registered signals was estimated from the value of the wavelet phase coherence. The duration of all recording was 5 min. The sampling frequency of the signals was 16 Hz. The increasing of synchronization of the respiratory-dependent skin blood flow oscillations for all controlled breathing regimes was obtained. Since the formation of respiration-dependent oscillations in the peripheral blood flow is mainly caused by the respiratory modulation of system blood pressure, the observed effects are most likely dependent on the breathing depth. It should be noted that with spontaneous breathing depth does not exceed 15% of the maximal chest excursion, while in the present study the breathing depth was 40%. Therefore it has been suggested that the observed significant increase of the phase synchronization of blood flow oscillations in our conditions is primarily due to an increase of breathing depth. This is due to the enhancement of both potential mechanisms of respiratory oscillation generation: venous pressure and sympathetic modulation of vascular tone.

Keywords: deep controlled breathing, peripheral blood flow oscillations, phase synchronization, wavelet phase coherence

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Authors: Sung Uk Park, Young Su Kang, Sangmo Kang, Young Kweon Suh

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Mineral product, waste concrete (fine aggregates), waste in the optical field, industry, and construction employ separators to separate solids and classify them according to their size. Various sorting machines are used in the industrial field such as those operating under electrical properties, centrifugal force, wind power, vibration, and magnetic force. Study on separators has been carried out to contribute to the environmental industry. In this study, we perform CFD analysis for understanding the basic mechanism of the separation of waste concrete (fine aggregate) particles from air with a machine built with a rotor with blades. In CFD, we first performed two-dimensional particle tracking for various particle sizes for the model with 1 degree, 1.5 degree, and 2 degree angle between each blade to verify the boundary conditions and the method of rotating domain method to be used in 3D. Then we developed 3D numerical model with ANSYS CFX to calculate the air flow and track the particles. We judged the capability of particle separation for given size by counting the number of particles escaping from the domain toward the exit among 10 particles issued at the inlet. We confirm that particles experience stagnant behavior near the exit of the rotating blades where the centrifugal force acting on the particles is in balance with the air drag force. It was also found that the minimum particle size that can be separated by the machine with the rotor is determined by its capability to stay at the outlet of the rotor channels.

Keywords: environmental industry, separator, CFD, fine aggregate

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Authors: Amani Alsaqqaf, Frederick W. B. Li

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Field trips are essential methods of learning in different subjects, and in recent times, there has been a reduction in the number of field trips (FTs) across all learning levels around the world. Virtual field trips (VFTs) in game environments provide FT experience based on the experiential learning theory (ELT). A conceptual framework for designing virtual field trip games (VFTGs) is developed with an aim to support game designers and educators to produce an effective FT experience where technology would enhance education. The conceptual framework quantifies ELT as an internal economy to link learning elements to game mechanics such as feedback loops which leads to facilitating VFTGs design and implementation. This study assesses the conceptual framework for designing VFTGs by investigating the possibility of applying immersive VFTGs in a secondary classroom and compare them with traditional learning that uses video clips and PowerPoint slides from the viewpoint of students’ perceived motivation, presence, and learning. The assessment is achieved by evaluating the learning performance and learner experience of a prototype VFT game, Island of Volcanoes. A quasi-experiment was conducted with 60 secondary school students. The findings of this study are that the VFTG enhanced learning performance to a better level than did the traditional way of learning, and in addition, it provided motivation and a general feeling of presence in the VFTG environment.

Keywords: conceptual framework, game-based learning, game design, virtual field trip game

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Authors: Shibo Wei, Ting Jiang

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Convolutional-recurrent neural networks (CRN) have achieved much success recently in the speech enhancement field. The common processing method is to use the convolution layer to compress the feature space by multiple upsampling and then model the compressed features with the LSTM layer. At last, the enhanced speech is obtained by deconvolution operation to integrate the global information of the speech sequence. However, the feature space compression process may cause the loss of information, so we propose to model the upsampling result of each step with the residual LSTM layer, then join it with the output of the deconvolution layer and input them to the next deconvolution layer, by this way, we want to integrate the global information of speech sequence better. The experimental results show the network model (RES-CRN) we introduce can achieve better performance than LSTM without residual and overlaying LSTM simply in the original CRN in terms of scale-invariant signal-to-distortion ratio (SI-SNR), speech quality (PESQ), and intelligibility (STOI).

Keywords: convolutional-recurrent neural networks, speech enhancement, residual LSTM, SI-SNR

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Authors: Nataša Kalajdžija, Strahinja Kovačević, Davor Lončar, Sanja Podunavac Kuzmanović, Lidija Jevrić

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In order to investigate the relationship between retention and structure, a quantitative Structure Retention Relationships (QSRRs) study was applied for the prediction of retention times of a set of 23 secoestrane derivatives in a reversed-phase thin-layer chromatography. After the calculation of molecular descriptors, a suitable set of molecular descriptors was selected by using step-wise multiple linear regressions. Artificial Neural Network (ANN) method was employed to model the nonlinear structure-activity relationships. The ANN technique resulted in 5-6-1 ANN model with the correlation coefficient of 0.98. We found that the following descriptors: Critical pressure, total energy, protease inhibition, distribution coefficient (LogD) and parameter of lipophilicity (miLogP) have a significant effect on the retention times. The prediction results are in very good agreement with the experimental ones. This approach provided a new and effective method for predicting the chromatographic retention index for the secoestrane derivatives investigated.

Keywords: lipophilicity, QSRR, RP TLC retention, secoestranes

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Authors: Brahim Brahmi, Mohammed Hamza Laraki, Mohammad Habibur Rahman, Islam M. Rasedul, M. Assad Uz-Zaman

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The humanoid robot, specifically the NAO robot must be able to provide a highly dynamic performance on the soccer field. Maintaining the balance of the humanoid robot during the required motion is considered as one of a challenging problems especially when the robot is subject to external disturbances, as contact with other robots. In this paper, a dynamic controller is proposed in order to ensure a robust walking (stabilization) and to improve the dynamic balance of the robot during its contact with the environment (external disturbances). The generation of the trajectory of the center of mass (CoM) is done by a model predictive controller (MPC) conjoined with zero moment point (ZMP) technique. Taking into account the properties of the rotational dynamics of the whole-body system, a modified previous control mixed with feedback control is employed to manage the angular momentum and the CoM’s acceleration, respectively. This latter is dedicated to provide a robust gait of the robot in the presence of the external disturbances. Simulation results are presented to show the feasibility of the proposed strategy.

Keywords: preview control, Nao robot, model predictive control

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Authors: El Hatka Hicham, Hafidi Youssef, Saghiri Khalid, Ittobane Najim

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Flexible polyurethane foam (FPUF) is a low-density cellular material generally used as a cushioning material in many applications such as furniture, bedding, packaging, etc. It is commercially produced during a continuous process, where a reactive mixture of foam chemicals is poured onto a moving conveyor. FPUFs are produced by the catalytic balancing of two reactions involved, the blowing reaction (isocyanate-water) and the gelation reaction (isocyanate-polyol). The microstructure of FPUF is generally composed of soft phases (polyol phases) and rigid domains that separate into two domains of different sizes: the rigid polyurea microdomains and the macrodomains (larger aggregates). The morphological features of FPUF are strongly influenced by the phase separation morphology that plays a key role in determining the global FPUF properties. This phase-separated morphology results from a thermodynamic incompatibility between soft segments derived from aliphatic polyether and hard segments derived from the commonly used aromatic isocyanate. In order to improve the properties of FPUF against the different stresses faced by this material during its use, we report in this work a study of the phase separation phenomenon in FPUF that has been examined using SAXS WAXS and FTIR. Indeed, we have studied with these techniques the effect of water, isocyanates, and alkaline chlorides on the phase separation behavior. SAXS was used to study the morphology of the microphase separated, WAXS to examine the nature of the hard segment packing, and FTIR to investigate the hydrogen bonding characteristics of the materials studied. The prepared foams were shown to have different levels of urea phase connectivity; the increase in water content in the FPUF formulation leads to an increase in the amount of urea formed and consequently the increase of the size of urea aggregates formed. Alkali chlorides (NaCl, KCl, and LiCl) incorporated into FPUF formulations show that is the ability to prevent hydrogen bond formation and subsequently alter the rigid domains. FPUFs prepared by different isocyanate structures showed that urea aggregates are difficult to be formed in foams prepared by asymmetric diisocyanate, while are more easily formed in foams prepared by symmetric and aliphatic diisocyanate.

Keywords: flexible polyurethane foam, hard segments, phase separation, soft segments

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Authors: Xu Jiaqiao

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Text sentiment analysis is an important branch of natural language processing. This technology is widely used in public opinion analysis and web surfing recommendations. At present, the mainstream sentiment analysis methods include three parts: sentiment analysis based on a sentiment dictionary, based on traditional machine learning, and based on deep learning. This paper mainly analyzes and compares the advantages and disadvantages of the SVM method of traditional machine learning and the Long Short-term Memory (LSTM) method of deep learning in the field of Chinese sentiment analysis, using Chinese comments on Sina Microblog as the data set. Firstly, this paper classifies and adds labels to the original comment dataset obtained by the web crawler, and then uses Jieba word segmentation to classify the original dataset and remove stop words. After that, this paper extracts text feature vectors and builds document word vectors to facilitate the training of the model. Finally, SVM and LSTM models are trained respectively. After accuracy calculation, it can be obtained that the accuracy of the LSTM model is 85.80%, while the accuracy of SVM is 91.07%. But at the same time, LSTM operation only needs 2.57 seconds, SVM model needs 6.06 seconds. Therefore, this paper concludes that: compared with the SVM model, the LSTM model is worse in accuracy but faster in processing speed.

Keywords: sentiment analysis, support vector machine, long short-term memory, Chinese microblog comments

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Authors: Ayna Yusubova, Bart Clarysse

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This paper explores role of research institutes in creation of support ecosystem for new technology-based ventures. Previous literature introduced research institutes as part of business and knowledge ecosystem, very few studies are available that consider a research institute as an ecosystem that support high-tech startups at every stage of development. Based on a resource-based view and a stage-based model of high-tech startups growth, this study aims to analyze how a research institute builds a startup support ecosystem by attracting different stakeholders in order to help startups to overcome resource. This paper is based on an in-depth case study of public research institute that focus on development of entrepreneurial ecosystem in a developed region. Analysis shows that the idea generation stage of high-tech startups that related to the invention and development of product or technology for commercialization is associated with a lack of critical knowledge resources. Second, at growth phase that related to market entrance, high-tech startups face challenges associated with the development of their business network. Accordingly, the study shows the support ecosystem that research institute creates helps high-tech startups overcome resource gaps in order to achieve a successful transition from one phase of growth to the next.

Keywords: new technology-based firms, ecosystems, resources, business incubators, research instutes

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Authors: Liu Li, Kim Seng Lee, Li Lu

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The high-energy-density Li-rich layered materials are promising cathode materials for the next-generation high-performance lithium-ion batteries. They have attracted a lot of attentions due mainly to their high reversible capacity of more than 250 mAh•g-1 at low charge-discharge current. However several drawbacks still hinder their applications, such as voltage decay caused by an undesired phase transformation during cycling and poor rate capability. To conquer these issues, the authors applied F modification methods on the pristine Li1.2Mn0.54Ni0.13Co0.13O2 to enhance its electrochemical performance.

Keywords: Li-ion battery, Li-rich layered cathode material, phase transformation, cycling stability, rate capability

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Authors: Yagya Murti Aryal, Bipin Adhikari, Pradeep Gyawali

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The Lesser Himalaya zone of Nepal consists of thrusting and folding belts, which play an important role in the sustainable management of groundwater in the Himalayan regions. The study area is located in the Dolakha and Ramechhap Districts of Bagmati Province, Nepal. Geologically, these districts are situated in the Lesser Himalayas and partly encompass the Higher Himalayan rock sequence, which includes low-grade to high-grade metamorphic rocks. Following the Gorkha Earthquake in 2015, numerous springs dried up, and many others are currently experiencing depletion due to the distortion of the natural groundwater flow. The primary objective of this study is to identify potential groundwater areas and determine suitable sites for artificial groundwater recharge. Two distinct statistical approaches were used to develop models: The Frequency Ratio (FR) and Shannon Entropy (SE) methods. The study utilized both primary and secondary datasets and incorporated significant role and controlling factors derived from field works and literature reviews. Field data collection involved spring inventory, soil analysis, lithology assessment, and hydro-geomorphology study. Additionally, slope, aspect, drainage density, and lineament density were extracted from a Digital Elevation Model (DEM) using GIS and transformed into thematic layers. For training and validation, 114 springs were divided into a 70/30 ratio, with an equal number of non-spring pixels. After assigning weights to each class based on the two proposed models, a groundwater potential map was generated using GIS, classifying the area into five levels: very low, low, moderate, high, and very high. The model's outcome reveals that over 41% of the area falls into the low and very low potential categories, while only 30% of the area demonstrates a high probability of groundwater potential. To evaluate model performance, accuracy was assessed using the Area under the Curve (AUC). The success rate AUC values for the FR and SE methods were determined to be 78.73% and 77.09%, respectively. Additionally, the prediction rate AUC values for the FR and SE methods were calculated as 76.31% and 74.08%. The results indicate that the FR model exhibits greater prediction capability compared to the SE model in this case study.

Keywords: groundwater potential mapping, frequency ratio, Shannon’s Entropy, Lesser Himalaya Zone, sustainable groundwater management

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Authors: C. Brecher, M. Fey, F. Du Bois-Reymond, S. Neus

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Additive manufacturing has emerged into a fast-growing section within the manufacturing technologies. Established machine tool manufacturers, such as DMG MORI, recently presented machine tools combining milling and laser welding. By this, machine tools can realize a higher degree of flexibility and a shorter production time. Still there are challenges that have to be accounted for in terms of maintaining the necessary machining accuracy - especially due to thermal effects arising through the use of high power laser processing units. To study the thermal behavior of laser-integrated machine tools, it is essential to analyze and simulate the thermal behavior of machine components, individual and assembled. This information will help to design a geometrically stable machine tool under the influence of high power laser processes. This paper presents an approach to decrease the loss of machining precision due to thermal impacts. Real effects of laser machining processes are considered and thus enable an optimized design of the machine tool, respective its components, in the early design phase. Core element of this approach is a matched FEM model considering all relevant variables arising, e.g. laser power, angle of laser beam, reflective coefficients and heat transfer coefficient. Hence, a systematic approach to obtain this matched FEM model is essential. Indicating the thermal behavior of structural components as well as predicting the laser beam path, to determine the relevant beam intensity on the structural components, there are the two constituent aspects of the method. To match the model both aspects of the method have to be combined and verified empirically. In this context, an essential machine component of a five axis machine tool, the turn-swivel table, serves as the demonstration object for the verification process. Therefore, a turn-swivel table test bench as well as an experimental set-up to measure the beam propagation were developed and are described in the paper. In addition to the empirical investigation, a simulative approach of the described types of experimental examination is presented. Concluding, it is shown that the method and a good understanding of the two core aspects, the thermo-elastic machine behavior and the laser beam path, as well as their combination helps designers to minimize the loss of precision in the early stages of the design phase.

Keywords: additive manufacturing, laser beam machining, machine tool, thermal effects

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Authors: A. Bara, D. Barkat

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The liquid-liquid extraction of copper (II) from aqueous solution by capric acid (HL) in chloroform at 25°C has been studied. The ionic strength effect of the aqueous phase shows that the extraction of copper(II) increases with the increase in ionic strength. with different ionic strengths 1, 0.5, 0.25, 0.125 and 0.1M in the aqueous phase. Cu (II) is extracted as the complex CuL2(ClO4).

Keywords: liquid-liquid extraction, ionic strength, copper (II), capric acid

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Authors: Simran Baweja, Bhavika Kalal, Surajit Maity

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Photoinduced tautomerization reactions have been the centre of attention among scientific community over past several decades because of their significance in various biological systems. 7-azaindole (7AI) is considered as a model system for DNA base pairing and to understand the role of such tautomerization reactions in mutations. To the best of our knowledge, extensive studies have been carried on 7-azaindole and its solvent clusters exhibiting proton/ hydrogen transfer in both solution as well as gas phase. Derivatives of above molecule, like 2,7- and 2,6-diazaindoles are proposed to have even better photophysical properties due to the presence of -aza group on the 2nd position. However, there are a few studies in the solution phase which suggest the relevance of these molecules, but there are no experimental studies reported in the gas phase yet. In our current investigation, we present the first gas phase spectroscopic data of 2,7-diazaindole (2,7-DAI) and its solvent cluster (2,7-DAI-H2O). In this, we have employed state-of-the-art laser spectroscopic methods such as fluorescence excitation (LIF), dispersed fluorescence (DF), resonant two-photon ionization time of flight mass spectrometry (2C-R2PI), photoionization efficiency spectroscopy (PIE), IR-UV double resonance spectroscopy i.e. fluorescence-dip infrared spectroscopy (FDIR) and resonant ion-dip infrared spectroscopy (IDIR) to understand the electronic structure of the molecule. The origin band corresponding to S1 ← S0 transition of the bare 2,7-DAI is found to be positioned at 33910 cm-1 whereas the origin band corresponding to S1 ← S0 transition of the 2,7-DAI-H2O is positioned at 33074 cm-1. The red shifted transition in case of solvent cluster suggests the enhanced feasibility of excited state hydrogen/ proton transfer. The ionization potential for the 2,7-DAI molecule is found to be 8.92 eV, which is significantly higher that the previously reported 7AI (8.11 eV) molecule, making it a comparatively complex molecule to study. The ionization potential is reduced by 0.14 eV in case of 2,7-DAI-H2O (8.78 eV) cluster compared to that of 2,7-DAI. Moreover, on comparison with the available literature values of 7AI, we found the origin band of 2,7-DAI and 2,7-DAI-H2O to be red shifted by -729 and -280 cm-1 respectively. The ground and excited state N-H stretching frequencies of the 27DAI molecule were determined using fluorescence-dip infrared spectra (FDIR) and resonant ion dip infrared spectroscopy (IDIR), obtained at 3523 and 3467 cm-1, respectively. The lower value of vNH in the electronic excited state of 27DAI implies the higher acidity of the group compared to the ground state. Moreover, we have done extensive computational analysis, which suggests that the energy barrier in excited state reduces significantly as we increase the number of catalytic solvent molecules (S= H2O, NH3) as well as the polarity of solvent molecules. We found that the ammonia molecule is a better candidate for hydrogen transfer compared to water because of its higher gas-phase basicity. Further studies are underway to understand the excited state dynamics and photochemistry of such N-rich chromophores.

Keywords: photoinduced tautomerization reactions, gas phse spectroscopy, ), IR-UV double resonance spectroscopy, resonant two-photon ionization time of flight mass spectrometry (2C-R2PI)

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Authors: Valentina V. Goftman, Vladislav A. Pankratov, Alexey V. Markin, Tangi Aubert, Zeger Hens, Sarah De Saeger, Irina Yu. Goryacheva

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The most important requirements for biochemical applicability of quantum dots (QDs) are: 1) the surface cap should render intact or improved optical properties; 2) mono-dispersion and good stability in aqueous phase in a wide range of pH and ionic strength values; 3) presence of functional groups, available for bioconjugation; 4) minimal impact from the environment on the QDs’ properties and, vice versa, minimal influence of the QDs’ components on the environment; and 5) stability against chemical/biochemical/physical influence. The latter is especially important for in vitro and in vivo applications. For example, some physical intracellular delivery strategies (e.g., electroporation) imply a rapid high-voltage electric field impulse in order to temporarily generate hydrophilic pores in the cell plasma membrane, necessary for the passive transportation of QDs into the cell. In this regard, it is interesting to investigate how different capping layers, which can provide high stability and sufficient fluorescent properties of QDs in a water solution, behave under these abnormal conditions. In this contribution, hydrophobic core-shell CdSe/CdS/CdZnS/ZnS QDs (λem=600 nm), produced by means of the Successive Ion Layer Adsorption and Reaction (SILAR) technique, were transferred to a water solution using two of the most commonly used methods: (i) encapsulation in an amphiphilic brush polymer based on poly(maleic anhydride-alt-1-octadecene) (PMAO) modified with polyethylene glycol (PEG) chains and (ii) silica covering. Polymer encapsulation preserves the initial ligands on the QDs’ surface owing to the hydrophobic attraction between the hydrophobic groups of the amphiphilic molecules and the surface hydrophobic groups of the QDs. This covering process allows maintaining the initial fluorescent properties, but it leads to a considerable increase of the QDs’ size. However, covering with a silica shell, by means of the reverse microemulsion method, allows maintaining both size and fluorescent properties of the initial QDs. The obtained water solutions of polymer covered and silica-coated QDs in three different concentrations were exposed to a low-voltage electric field for a short time and the fluorescent properties were investigated. It is shown that the PMAO-PEG polymer acquires some additional charges in the presence of the electric field, which causes repulsion between the polymer and the QDs’ surface. This process destroys the homogeneity of the whole amphiphilic shell and it dramatically decreases the fluorescent properties (dropping to 10% from its initial value) because of the direct contact of the QDs with the strongly oxidative environment (water). In contrast, a silica shell possesses dielectric properties which allow retaining 90% of its initial fluorescence intensity, even after a longer electric impact. Thus, silica shells are clearly a preferable covering for bio-application of QDs, because – besides the high uniform morphology, controlled size and biocompatibility – it allows protecting QDs from oxidation, even under the influence of an electric field.

Keywords: electric field, polymer coating, quantum dots, silica covering, stability

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Authors: Y. T. Ku, S. W. Chen, J. R. Wang, C. Shih, Y. F. Chang

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In order to respond the policy decision of non-nuclear homes, Tai Power Company (TPC) will provide the decommissioning project of Kuosheng Nuclear power plant (KSNPP) to meet the regulatory requirement in near future. In this study, the computational fluid dynamics (CFD) methodology has been employed to develop a flow prediction model for boiling water reactor (BWR) with upper pool under decommissioning stage. The model can be utilized to investigate the flow behavior as the vessel combined with upper pool and continuity cooling system. At normal operating condition, different parameters are obtained for the full fluid area, including velocity, mass flow, and mixing phenomenon in the reactor pressure vessel (RPV) and upper pool. Through the efforts of the study, an integrated simulation model will be developed for flow field analysis of decommissioning KSNPP under normal operating condition. It can be expected that a basis result for future analysis application of TPC can be provide from this study.

Keywords: CFD, BWR, decommissioning, upper pool

Procedia PDF Downloads 267

Authors: Abdoullah Fath-Allah, Laila Cheikhi, Rafa E. Al-Qutaish, Ali Idri

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The e-government emerging concept transforms the way in which the citizens are dealing with their governments. Thus, the citizens can execute the intended services online anytime and anywhere. This results in great benefits for both the governments (reduces the number of officers) and the citizens (more flexibility and time saving). Therefore, building a maturity model to assess the e-government portals becomes desired to help in the improvement process of such portals. This paper aims at proposing an e-government maturity model based on the measurement of the best practices’ presence. The main benefit of such maturity model is to provide a way to rank an e-government portal based on the used best practices, and also giving a set of recommendations to go to the higher stage in the maturity model.

Keywords: best practices, e-government portal, maturity model, quality model

Procedia PDF Downloads 338

Authors: Zaouche Mohamed, Amini Mohamed, Foughali Khaled, Aitkaid Souhila, Bouchiha Nihad Sarah

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The aerodynamic coefficients are important in the evaluation of an aircraft performance and stability-control characteristics. These coefficients also can be used in the automatic flight control systems and mathematical model of flight simulator. The study of the aerodynamic aspect of flying systems is a reserved domain and inaccessible for the developers. Doing tests in a wind tunnel to extract aerodynamic forces and moments requires a specific and expensive means. Besides, the glaring lack of published documentation in this field of study makes the aerodynamic coefficients determination complicated. This work is devoted to the identification of an aerodynamic model, by using an aircraft in virtual simulated environment. We deal with the identification of the system, we present an environment framework based on Software In the Loop (SIL) methodology and we use Microsoft^TM Flight Simulator (FS-2004) as the environment for plane simulation. We propose The Total Least Squares Estimation technique (TLSE) to identify the aerodynamic parameters, which are unknown, variable, classified and used in the expression of the piloting law. In this paper, we define each aerodynamic coefficient as the mean of its numerical values. All other variations are considered as modeling uncertainties that will be compensated by the robustness of the piloting control.

Keywords: aircraft aerodynamic model, total least squares estimation, piloting the aircraft, robust control, Microsoft Flight Simulator, MQ-1 predator

Procedia PDF Downloads 287

Authors: Dev Ras Pandey, Bharat Mishra, S. K. Tripathi

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Cloud computing is ready to transform the structure of businesses and learning through supplying the real-time applications and provide an immediate help for small to medium sized businesses. The ability to run a hypervisor inside a virtual machine is important feature of virtualization and it is called nested virtualization. In today’s growing field of information technology, many of the virtualization models are available, that provide a convenient approach to implement, but decision for a single model selection is difficult. This paper explains the applications of operating system based virtualization in cloud computing with an appropriate/suitable model with their different specifications and user’s requirements. In the present paper, most popular models are selected, and the selection was based on container and hypervisor based virtualization. Selected models were compared with a wide range of user’s requirements as number of CPUs, memory size, nested virtualization supports, live migration and commercial supports, etc. and we identified a most suitable model of virtualization.

Keywords: virtualization, OS based virtualization, container based virtualization, hypervisor based virtualization

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Authors: Ladislav Écsi, Roland Jančo

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Contemporary multiplicative plasticity models assume that the body's intermediate configuration consists of an assembly of locally unloaded neighbourhoods of material particles that cannot be reassembled together to give the overall stress-free intermediate configuration since the neighbourhoods are not necessarily compatible with each other. As a result, the plastic deformation gradient, an inelastic component in the multiplicative split of the deformation gradient, cannot be integrated, and the material particle moves from the initial configuration to the intermediate configuration without a position vector and a plastic displacement field when plastic flow occurs. Such behaviour is incompatible with the continuum theory and the continuum physics of elastoplastic deformations, and the related material models can hardly be denoted as truly continuum-based. The paper presents a proper continuum-based reformulation of current problems in finite strain plasticity. It will be shown that the incompatible neighbourhoods in real material are modelled by the product of the plastic multiplier and the yield surface normal when the plastic flow is defined in the current configuration. The incompatible plastic factor can also model the neighbourhoods as the solution of the system of differential equations whose coefficient matrix is the above product when the plastic flow is defined in the intermediate configuration. The incompatible tensors replace the compatible spatial plastic velocity gradient in the former case or the compatible plastic deformation gradient in the latter case in the definition of the plastic flow rule. They act as local imperfections but have the same position vector as the compatible plastic velocity gradient or the compatible plastic deformation gradient in the definitions of the related plastic flow rules. The unstressed intermediate configuration, the unloaded configuration after the plastic flow, where the residual stresses have been removed, can always be calculated by integrating either the compatible plastic velocity gradient or the compatible plastic deformation gradient. However, the corresponding plastic displacement field becomes permanent with both elastic and plastic components. The residual strains and stresses originate from the difference between the compatible plastic/permanent displacement field gradient and the prescribed incompatible second-order tensor characterizing the plastic flow in the definition of the plastic flow rule, which becomes an assignment statement rather than an equilibrium equation. The above also means that the elastic and plastic factors in the multiplicative split of the deformation gradient are, in reality, gradients and that there is no problem with the continuum physics of elastoplastic deformations. The formulation is demonstrated in a numerical example using the regularized Mooney-Rivlin material model and modified equilibrium statements where the intermediate configuration is calculated, whose analysis results are compared with the identical material model using the current equilibrium statements. The advantages and disadvantages of each formulation, including their relationship with multiplicative plasticity, are also discussed.

Keywords: finite strain plasticity, continuum formulation, regularized Mooney-Rivlin material model, compatibility

Procedia PDF Downloads 123

Authors: Yuan Yan

Abstract:

Interlayer interactions or hybridization in van der Waals (vdW) heterostructures of two-dimensional (2D) materials significantly influence their physical characteristics, including layer-dependent electronic and vibrational structures, magic-angle superconductivity, interlayer antiferromagnetism, and interlayer excitons. These interactions are sensitive to a set of interdependent and externally tunable parameters. To fully exploit the potential of these materials, it is crucial to understand the physical origins of interlayer interaction and hybridization. Traditional theories often attribute these interactions to the sharing of electrons via p orbital lone pairs or π electrons, based on the octet rule, which posits that p electrons are the primary occupants of the outermost atomic shells, except in hydrogen. However, our study challenges this prevailing belief. Through geometry-based analysis, we conducted a high-throughput screening of the Materials Project database and identified 1,623 layered materials. By examining the atomic structure and bonding characteristics of surface atoms, we demonstrate that s-orbital lone pairs can also drive interlayer interactions in two-dimensional materials. Using density functional theory, we further analyzed charge distribution and electronic localization. The crystal field and inert pair effect induce a Stark-like phenomenon, leading to energy level splitting and the formation of directional electron clouds. This allows these electrons to directly participate in the hybridization of interlayer wavefunctions without forming chemical bonds. it findings expand the understanding of interlayer interactions, revealing new mechanisms that govern these properties and providing a theoretical foundation for manipulating interlayer phenomena in 2D materials.

Keywords: interlayer interaction, nanomaterials, 2D materials, van der waals, heterostructures

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Authors: Sharmi Mukherjee, Anindita Chakraborty

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Cellular irradiation incites complex responses including arrest of cell cycle progression. This article accentuates the effects of radiation on cell cycle status of radiation non-targeted cells. Human Hepatoma HepG2 cells were exposed to increasing doses of γ radiations (1, 2, 4, 6 Gy) and their cell culture media was transferred to non-targeted HepG2 cells cultured in other Petri plates. These radiation non-targeted cells cultured in the ICCM (Irradiated cell conditioned media) were the bystander cells on which cell cycle analysis was performed using flow cytometry. An apparent decrease in the distribution of bystander cells at G0/G1 phase was observed with increased radiation doses upto 4 Gy representing a linear relationship. This was accompanied by a gradual increase in cellular distribution at G2/M phase. Interestingly the number of cells in G2/M phase at 1 and 2 Gy irradiation was not significantly different from each other. However, the percentage of G2 phase cells at 4 and 6 Gy doses were significantly higher than 2 Gy dose indicating the IC50 dose to be between 2 and 4 Gy. Cell cycle arrest is an indirect indicator of genotoxic damage in cells. In this study, bystander stress signals through the cell culture media of irradiated cells disseminated the radiation induced DNA damages in the non-targeted cells which resulted in arrest of the cell cycle progression at G2/M phase checkpoint. This implies that actual radiation biological effects represent a penumbra with effects encompassing a larger area than the actual beam. This article highlights the existence of genotoxic damages as bystander effects of γ rays in human Hepatoma cells by cell cycle analysis and opens up avenues for appraisal of bystander stress communications between tumor cells. Contemplation of underlying signaling mechanisms can be manipulated to maximize damaging effects of radiation with minimum dose and thus has therapeutic applications.

Keywords: bystander effect, cell cycle, genotoxic damage, hepatoma

Procedia PDF Downloads 184

Authors: Cindy Sahera, Sarwono Sutikno

Abstract:

Rapid technological developments also have negative impacts, namely the increasing criminal cases based on technology or cybercrime. One technique that can be used to conduct cybercrime attacks are phishing email. The issue is whether the user is aware that email can be misused by others so that it can harm the user's own? This research was conducted to measure the susceptibility of selected targets against email abuse. The objectives of this research are measurement of targets’ susceptibility and find vulnerability in email recipient. There are three steps being taken in this research, (1) the information gathering phase, (2) the design phase, and (3) the execution phase. The first step includes the collection of the information necessary to carry out an attack on a target. The next step is to make the design of an attack against a target. The last step is to send phishing emails to the target. The levels of susceptibility are three: level 1, level 2 and level 3. Level 1 indicates a low level of targets’ susceptibility, level 2 indicates the intermediate level of targets’ susceptibility, and level 3 indicates a high level of targets’ susceptibility. The results showed that users who are on level 1 and level 2 more that level 3, which means the user is not too careless. However, it does not mean the user to be safe. There are still vulnerabilities that may occur, such as automatic location detection when opening emails and automatic downloaded malware as user clicks a link in the email.

Keywords: cybercrime, email phishing, susceptibility, vulnerability

Procedia PDF Downloads 289