Search results for: linear elasticity

Authors: Yogita Mishra, Arijit Roy, Dhruval Bhavsar

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The study estimates the nitrogen concentration in selected vegetation community’s i.e. chir pine (pinusroxburghii) by using hyperspectral satellite data and also identified the appropriate spectral bands and nitrogen indices. The Short Wave InfraRed reflectance spectrum at 1790 nm and 1680 nm shows the maximum possible absorption by nitrogen in selected species. Among the nitrogen indices, log normalized nitrogen index performed positively and negatively too. The strong positive correlation is taken out from 1510 nm and 760 nm for the pinusroxburghii for leaf nitrogen concentration and leaf nitrogen mass while using NDNI. The regression value of R² developed by using linear equation achieved maximum at 0.7525 for the analysis of satellite image data and R² is maximum at 0.547 for ground truth data for pinusroxburghii respectively.

Keywords: hyperspectral, NDNI, nitrogen concentration, regression value

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Authors: A. Boveiri Monji, H. Yousefnia, S. Zolghadri, B. Salimi

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The main goal of this paper was to make use of green reagents as a substitute of perilous synthetic reagents and organic solvents for spectrophotometric determination of hafnium(IV). The extracts taken from six different kinds of tree leaves including Acer negundo, Ficus carica, Cerasus avium, Chimonanthus, Salix babylonica and Pinus brutia, were applied as green reagents for the experiments. In 6-M hydrochloric acid, hafnium reacted with the reagent to form a yellow product and showed maximum absorbance at 421 nm. Among tree leaves, Chimonanthus showed satisfactory results with a molar absorptivity value of 0.61 × 10⁴ l mol^-1 cm^-1 and the method was linear in the 0.3-9 µg mL ^-1 concentration range. The detection limit value was 0.064 µg mL^-1. The proposed method was simple, low cost, clean, and selective.

Keywords: hafnium, spectrophotometric determination, synthetic reagents, tree leaves

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Authors: M. Ouassaf, S. Belaid

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A series of quinoline derivatives with antimalarial activity were subjected to two-dimensional quantitative structure-activity relationship (2D-QSAR) studies. Three models were implemented using multiple regression linear MLR, a regression partial least squares (PLS), nonlinear regression (MNLR), to see which descriptors are closely related to the activity biologic. We relied on a principal component analysis (PCA). Based on our results, a comparison of the quality of, MLR, PLS, and MNLR models shows that the MNLR (R = 0.914 and R² = 0.835, RCV= 0.853) models have substantially better predictive capability because the MNLR approach gives better results than MLR (R = 0.835 and R² = 0,752, RCV=0.601)), PLS (R = 0.742 and R² = 0.552, RCV=0.550) The model of MNLR gave statistically significant results and showed good stability to data variation in leave-one-out cross-validation. The obtained results suggested that our proposed model MNLR may be useful to predict the biological activity of derivatives of quinoline.

Keywords: antimalarial, quinoline, QSAR, PCA, MLR , MNLR, MLR

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Authors: Nico Fuchs, Fabian Wüllhorst, Laura Maier, Dirk Müller

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The decarbonization of building stocks necessitates the modernization of existing buildings. Key measures for this include reducing energy demands through insulation of the building envelope, replacing heat generators, and installing solar systems. Given limited financial resources, it is impractical to modernize all buildings in a portfolio simultaneously; instead, prioritization of buildings and modernization measures for a given planning horizon is essential. Optimization models for modernization pathways can assist portfolio managers in this prioritization. However, modeling and solving these large-scale optimization problems, often represented as mixed-integer problems (MIP), necessitates simplifying the operation of building energy systems particularly with respect to system dynamics and transient behavior. This raises the question of which level of simplification remains sufficient to accurately account for realistic costs and emissions of building energy systems, ensuring a fair comparison of different modernization measures. This study addresses this issue by comparing a two-stage simulation-based optimization approach with a single-stage mathematical optimization in a mixed-integer linear programming (MILP) formulation. The simulation-based approach serves as a benchmark for realistic energy system operation but requires a restriction of the solution space to discrete choices of modernization measures, such as the sizing of heating systems. After calculating the operation of different energy systems in terms of the resulting final energy demands in simulation models on a first stage, the results serve as input for a second stage MILP optimization, where the design of each building in the portfolio is optimized. In contrast to the simulation-based approach, the MILP-based approach can capture a broader variety of modernization measures due to the efficiency of MILP solvers but necessitates simplifying the building energy system operation. Both approaches are employed to determine the cost-optimal design and dimensioning of several buildings in a portfolio to meet climate targets within limited yearly budgets, resulting in a modernization pathway for the entire portfolio. The comparison reveals that the MILP formulation successfully captures design decisions of building energy systems, such as the selection of heating systems and the modernization of building envelopes. However, the results regarding the optimal dimensioning of heating technologies differ from the results of the two-stage simulation-based approach, as the MILP model tends to overestimate operational efficiency, highlighting the limitations of the MILP approach.

Keywords: building energy system optimization, model accuracy in optimization, modernization pathways, building stock decarbonization

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Authors: Avelino Marques, Diamantino Freitas

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Some important electroacoustic systems, like loudspeaker systems, exhibit a nonminimum phase behavior that poses considerable effort when applying advanced digital signal processing techniques, such as linear equalization. In this paper, the position and the number of zeros and poles of the inverse filter, FIR type or IIR type, designed using time domain techniques, are studied, compared and related to the nonminimum phase zeros of system to be equalized. Conclusions about the impact of the position of the system non-minimum phase zeros, on the length/order of the inverse filter and on the delay of the equalized system are outlined as a guide to previously decide which type of filter will be more adequate.

Keywords: loudspeaker systems, nonminimum phase system, FIR and IIR filter, delay

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Authors: Yoonhee Cho, Gye-Hoon Hong

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This study focuses on the roles of distributive and procedural justice on job engagement. Additionally, the study focuses on whether situational factors such as team efficacy and team leaders’ coaching moderate the relationship between distributive and procedural justice and job engagement. Ordinary linear regression was used to analyze data from seven South Korean Companies (total N=346). Results confirmed the hypothesized model indicating that both distributive and procedural justices were positively related to job engagement of employees. Team efficacy and team leaders’ coaching moderated the relationship between distributive justice and job engagement whereas it brought non-significant result found for procedural justice. The facts that two types of justice and the interactive effects of two situational variables were different implied that different managerial strategies should be used when job engagement was to be enhanced.

Keywords: coaching, distributive justice, job engagement, procedural justice, team efficacy

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Authors: Roya Khajepour, Alireza B. Novinzadeh

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A major issue with spherical robot is it surface shape, which is not always predictable. This means that given only the dynamic model of the robot, it is not possible to control the robot. Due to the fact that in certain conditions it is not possible to measure surface friction, control methods must be prepared for these conditions. Moreover, although spherical robot never becomes unstable or topples thanks to its special shape, since it moves by rolling it has a non-holonomic constraint at point of contact and therefore it is considered a non-holonomic system. Existence of such a point leads to complexity and non-linearity of robot's kinematic equations and makes the control problem difficult. Due to the non-linear dynamics and presence of uncertainty, the sliding-mode control is employed. The proposed method is based on Lyapunov Theory and guarantees system stability. This controller is insusceptible to external disturbances and un-modeled dynamics.

Keywords: sliding mode, spherical robot, non-holomonic constraint, system stability

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Authors: Benazzouz Djamel, Termeche Adel, Touati Youcef, Alem Said, Ouziala Mahdi

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This paper presents an approach which detect and isolate efficiently a fault in a system. This approach avoids false alarms, non-detections and delays in detecting faults. A study case have been proposed to show the importance of taking into consideration the uncertainties in the decision-making procedure and their effect on the degradation diagnostic performance and advantage of using Bond Graph (BG) for such degradation. The use of BG in the Linear Fractional Transformation (LFT) form allows generating robust Analytical Redundancy Relations (ARR’s), where the uncertain part of ARR’s is used to generate the residuals adaptive thresholds. The study case concerns an electromechanical system composed of a motor, a reducer and an external load. The aim of this application is to show the effectiveness of the BG-LFT approach to robust fault detection.

Keywords: bond graph, LFT, uncertainties, detection and faults isolation, ARR

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Authors: Anteneh Getachew Gebrie, Rabian Wangkeeree

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The purpose of this paper is to introduce iterative algorithm solving split system of minimization problem given as a task of finding a common minimizer point of finite family of proper, lower semicontinuous convex functions and whose image under a bounded linear operator is also common minimizer point of another finite family of proper, lower semicontinuous convex functions. We obtain strong convergence of the sequence generated by our algorithm under some suitable conditions on the parameters. The iterative schemes are developed with a way of selecting the step sizes such that the information of operator norm is not necessary. Some applications and numerical experiment is given to analyse the efficiency of our algorithm.

Keywords: Hilbert Space, minimization problems, Moreau-Yosida approximate, split feasibility problem

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Authors: Tudor Deaconescu, Andrea Deaconescu

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Deployment of pneumatic muscles in various industrial applications is still in its early days, considering the relative newness of these components. The field of robotics holds particular future potential for pneumatic muscles, especially in view of their specific behaviour known as compliance. The paper presents and discusses an innovative constructive solution for a gripper system mountable on an industrial robot, based on actuation by a linear pneumatic muscle and transmission of motion by gear and rack mechanism. The structural, operational and constructive models of the new gripper are presented, along with some of the experimental results obtained subsequently to the testing of a prototype. Further presented are two control variants of the gripper system, one by means of a 3/2-way fast-switching solenoid valve, the other by means of a proportional pressure regulator. Advantages and disadvantages are discussed for both variants.

Keywords: gripper system, pneumatic muscle, structural modelling, robotics

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Authors: Imil Hamda Imran, Sami El Ferik

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This paper deals with adaptive cooperative control of non holonomic mobile robot moved together in a given formation. The controller is designed based on the Immersion and Invariance (I&I) approach. I&I is a framework for adaptive stabilization of nonlinear systems with uncertain parameters. We investigate the tracking control of non holonomic mobile robot with uncertainties in The I&I-based adaptive controller regulates the angular and linear velocity of non holonomic mobile robot. The results demonstrate that the ability of I&I-based adaptive cooperative control in tracking the position of non holonomic mobile robot.

Keywords: nonholonomic mobile robot, immersion and invariance, adaptive control, uncertain nonlinear systems

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Authors: Guo Wenyu, Qu Youli

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A practical and simple self-indexing data structure, Partitioned Elias-Fano (PEF) - Compressed Suffix Arrays (CSA), is built in linear time for the CSA based on PEF indexes. Moreover, the PEF-CSA is compared with two classical compressed indexing methods, Ferragina and Manzini implementation (FMI) and Sad-CSA on different type and size files in Pizza & Chili. The PEF-CSA performs better on the existing data in terms of the compression ratio, count, and locates time except for the evenly distributed data such as proteins data. The observations of the experiments are that the distribution of the φ is more important than the alphabet size on the compression ratio. Unevenly distributed data φ makes better compression effect, and the larger the size of the hit counts, the longer the count and locate time.

Keywords: compressed suffix array, self-indexing, partitioned Elias-Fano, PEF-CSA

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Authors: Arcady Ponosov, Ramazan Kadiev

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Input-to-State Stability (ISS) is widely used in deterministic control theory but less known in the stochastic case. Roughly speaking, the theory explains when small perturbations of the right-hand sides of the system on the entire semiaxis cause only small changes in the solutions of the system, again on the entire semiaxis. This property is crucial in many applications. In the report, we explain how to define and study ISS for systems of linear stochastic differential equations with or without delays. The central result connects ISS with the property of Lyapunov stability. This relationship is well-known in the deterministic setting, but its stochastic version is new. As an application, a method of studying asymptotic Lyapunov stability for stochastic delay equations is described and justified. Several examples are provided that confirm the efficiency and simplicity of the framework.

Keywords: asymptotic stability, delay equations, operator methods, stochastic perturbations

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Authors: Nivedita Roy, Aparajita Chattopadhyay

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Gender discrimination is already one of the major factors why India is still in the list of the 3rd World Countries, but, when it comes to gender inclusion in the environmental arena, this umbrella concept is quite unheard of by our countrymen. The main objective was to assess gender equality for the environment through calculating Environment and Gender Index on a country level, India, in this case. 22 states out of 29 were considered for calculation. Also, out of the 72 countries chosen by IUCN to calculate EGI, the lower middle income group of countries was chosen to assess the position of India, also a lower middle income group country, among them. Linear Regression is executed through SPSS and simple graphs and tables are prepared through MS-EXCEL for analysis. India portrays good governance, reporting activities well to the UN but in terms of basic livelihood and gender equality, the performance is comparatively weak.

Keywords: environment, gender, livelihood, rights, participation, development, conservation

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Authors: K. E. Ch. Vidyasagar, M. Moghavvemi, T. S. S. T. Prabhat

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Epilepsy is a global problem, and with seizures eluding even the smartest of diagnoses a requirement for automatic detection of the same using electroencephalogram (EEG) would have a huge impact in diagnosis of the disorder. Among a multitude of methods for automatic epilepsy detection, one should find the best method out, based on accuracy, for classification. This paper reasons out, and rationalizes, the best methods for classification. Accuracy is based on the classifier, and thus this paper discusses classifiers like quadratic discriminant analysis (QDA), classification and regression tree (CART), support vector machine (SVM), naive Bayes classifier (NBC), linear discriminant analysis (LDA), K-nearest neighbor (KNN) and artificial neural networks (ANN). Results show that ANN is the most accurate of all the above stated classifiers with 97.7% accuracy, 97.25% specificity and 98.28% sensitivity in its merit. This is followed closely by SVM with 1% variation in result. These results would certainly help researchers choose the best classifier for detection of epilepsy.

Keywords: classification, seizure, KNN, SVM, LDA, ANN, epilepsy

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Authors: Hongda Guo, Wenxia Sima

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Transformer oil is widely used in power systems because of its excellent insulation properties. The accurate measurement of electric field and space charge distribution in transformer oil under high voltage impulse has important theoretical and practical significance, but still remains challenging to date because of its low Kerr constant. In this study, the continuous electric field and space charge distribution over time between parallel-plate electrodes in high-voltage pulsed transformer oil based on the Kerr effect is directly measured using a linear array photoelectrical detector. Experimental results demonstrate the applicability and reliability of this method. This study provides a feasible approach to further study the space charge effects and breakdown mechanisms in transformer oil.

Keywords: electric field, Kerr, space charge, transformer oil

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Authors: M. Meenasaranya, S. Saravanan

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Nonlinear stability analysis is carried out to determine the effect of surface temperature modulation in an infinite horizontal porous layer heated from below. The layer is saturated by an electrically conducting, viscous, incompressible and Newtonian fluid. The Brinkman model is used for momentum equation, and the Boussinesq approximation is invoked. The system is assumed to be bounded by rigid boundaries. The energy theory is implemented to find the global exponential stability region of the considered system. The results are analysed for arbitrary values of modulation frequency and amplitude. The existence of subcritical instability region is confirmed by comparing the obtained result with the known linear result. The vertical magnetic field is found to stabilize the system.

Keywords: Brinkman model, energy method, magnetic field, surface temperature modulation

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Authors: Tran Hung Tra, Hao Dinh Duong, Masakazu Okazaki

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Copper 1100 and aluminum 1050 plates with a thickness of 5.0 mm are butt-joint using friction stir welding. The tool offset is linearly varied along the welding path. Two welding regimes, using the same linear tool offset but in opposite directions, are applied for fabricating two Cu/Al plates. The material flow is dominated by both tool offset and offset history. The intermetallic compounds layer and interface morphology in each welded plate are formed in a different manner. As a result, the bonding strength and fracture behavior between two welded plates are significantly distinct. The role of interface morphology on fracture behavior is analyzed by the finite element method.

Keywords: Cu/Al dissimilar welding, offset history, interface morphology, intermetallic compounds, strength and fracture

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Authors: M. Ouassaf, S. Belaidi

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Aromatase is an estrogen biosynthetic enzyme belonging to the cytochrome P450 family, which catalyzes the limiting step in the conversion of androgens to estrogens. As it is relevant for the promotion of tumor cell growth. A set of thirty 1,2,3-triazole derivatives was used in the quantitative structure activity relationship (QSAR) study using regression multiple linear (MLR), We divided the data into two training and testing groups. The results showed a good predictive ability of the MLR model, the models were statistically robust internally (R² = 0.982) and the predictability of the model was tested by several parameters. including external criteria (R²pred = 0.851, CCC = 0.946). The knowledge gained in this study should provide relevant information that contributes to the origins of aromatase inhibitory activity and, therefore, facilitates our ongoing quest for aromatase inhibitors with robust properties.

Keywords: aromatase inhibitors, QSAR, MLR, 1, 2, 3-triazole

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Authors: M. Hadji, A. Haddad, Y. Hadji

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The effects of boronizing treatment on the friction coefficient and wear behavior of 0.35 Vf TiC- Ti3 SiC2 composite were investigated. In order to modify the surface properties of Ti3SiC2, boronizing treatment was carried out through powder pack cementation in the 1150-1350 °C temperature range. After boronizing treatment, one mixture layer, composed of TiB2 and SiC, forms on the surface of Ti3SiC2. The growth of the coating is processed by inward diffusion of Boron and obeys a linear rule. The Boronizing treatment increases the hardness of Ti3SiC2 from 6 GPa to 13 GPa. In the pin-on-disc test, i twas found that the material undergoes a steady-state coefficient of friction of around 0.8 and 0.45 in case of Ti3SiC2/Al2O3 tribocouple under 7 N load for the non treated and the boronized samples, respectively. The wear resistance of Ti3SiC2 under Al2O3 ball sliding has been significantly improved, which indicated that the boronizing treatment is a promising surface modification way of Ti3SiC2.

Keywords: MAX phase, boronizing, hardness, wear

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Authors: N. Ravikumar, S. Krishnan, B. Yokeshkumar

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In present days, the power quality issues are increases due to non-linear loads like fridge, AC, washing machines, induction motor, etc. This power quality issues will affects the output voltages, output current, and output power of the total performance of the generator. This paper explains how to test the generator using the Fluke 435 II series power quality analyser. This Fluke 435 II series power quality analyser is used to measure the voltage, current, power, energy, total harmonic distortion (THD), current harmonics, voltage harmonics, power factor, and frequency. The Fluke 435 II series power quality analyser have several advantages. They are i) it will records output in analog and digital format. ii) the fluke analyzer will records at every 0.25 sec. iii) it will also measure all the electrical parameter at a time.

Keywords: THD, harmonics, power quality, TNEB, Fluke 435

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Authors: Tareq Oshan

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Facility location and size decisions are important to any company because they affect profitability and success. However, warehouses are exposed to various risks of failure that affect their activity. This paper presents a mixed-integer non-linear mathematical model that can be used to determine optimal warehouse locations and sizes, which warehouses to fortify, and which branches should be assigned to specific warehouses when there is a risk of warehouse failure. Every branch is assigned to a fortified primary warehouse or a nonfortified primary warehouse and a fortified backup warehouse. The standard method and an introduced method, based on the average probabilities, for linearizing this mathematical model were used. A Canadian case study was used to demonstrate the developed mathematical model, followed by some sensitivity analysis.

Keywords: supply chain network design, fortified warehouse, mixed-integer mathematical model, warehouse failure risk

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Authors: Asma Alzahrani, Elizabeth Stojanovski

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This study investigated factors that influence mathematics achievement based on a sample of ninth-grade students (N  =  21,444) from the High School Longitudinal Study of 2009 (HSLS09). Key aspects studied included efficacy in mathematics, interest and enjoyment of mathematics, identity with mathematics and future utility beliefs and how these influence mathematics achievement. The predictability of mathematics achievement based on these factors was assessed using correlation coefficients and multiple linear regression. Spearman rank correlations and multiple regression analyses indicated positive and statistically significant relationships between the explanatory variables: mathematics efficacy, identity with mathematics, interest in and future utility beliefs with the response variable, achievement in mathematics.

Keywords: Mathematics achievement, math efficacy, mathematics interest, factors influence

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Authors: Vedat Senol, Gursoy Turan, Anders Helmersson, Vortechz Andersson

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In developing a mathematical model of a real structure, the simulation results of the model may not match the real structural response. This is a general problem that arises during dynamic motion of the structure, which may be modeled by means of parameter variations in the stiffness, damping, and mass matrices. These changes in parameters need to be estimated, and the mathematical model is updated to obtain higher control performances and robustness. In this study, a linear fractional transformation (LFT) is utilized for uncertainty modeling. Further, a general approach to the design of an H∞ control of a magneto-rheological damper (MRD) for vibration reduction in a building with mass, damping, and stiffness uncertainties is presented.

Keywords: uncertainty modeling, structural control, MR Damper, H∞, robust control

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Authors: Woo-Young Jung, Minho Kwon

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Seismic design criteria based on performance of structures have recently been adopted by practicing engineers in response to destructive earthquakes. A simple but efficient structural-analysis tool capable of predicting both the strength and ductility is needed to analyze reinforced concrete (RC) structures under such event. A three-dimensional lattice model is developed in this study to analyze torsions in high-strength RC members. Optimization techniques for determining optimal variables in each lattice model are introduced. Pure torsion tests of RC members are performed to validate the proposed model. Correlation studies between the numerical and experimental results confirm that the proposed model is well capable of representing salient features of the experimental results.

Keywords: torsion, non-linear analysis, three-dimensional lattice, high-strength concrete

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Authors: Liudmyla Koliechkina, Olena Dvirna

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The statement of the multi-objective optimization problem on combinatorial configurations is formulated, and the approach to its solution is proposed. The problem is of interest as a combinatorial optimization one with many criteria, which is a model of many applied tasks. The approach to solving the multi-objective optimization problem on combinatorial configurations consists of two stages; the first is the reduction of the multi-objective problem to the single criterion based on existing multi-objective optimization methods, the second stage solves the directly replaced single criterion combinatorial optimization problem by the horizontal combinatorial method. This approach provides the optimal solution to the multi-objective optimization problem on combinatorial configurations, taking into account additional restrictions for a finite number of steps.

Keywords: discrete set, linear combinatorial optimization, multi-objective optimization, Pareto solutions, partial permutation set, structural graph

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Authors: Soner Cubuk, Ozge Yilmaz, Ece Kok Yetimoglu, M. Vezir Kahraman

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In this work, a polymer based highly selective fluorescence sensor membrane was prepared by the photopolymerization technique for the determination Cd(II) ion. Sensor characteristics such as effects of pH, response time and foreign ions on the fluorescence intensity of the sensor were also studied. Under optimized conditions, the polymeric sensor shows a rapid, stable and linear response for 4.45x10-⁹ mol L-¹ - 4.45x10-⁸ mol L-¹ Cd(II) ion with the detection limit of 6.23x10-¹⁰ mol L-¹. In addition, sensor membrane was selective which is not affected by common foreign metal ions. The concentrations of the foreign ions such as Pb²+, Co²+, Ag+, Zn²+, Cu²+, Cr³+ are 1000-fold higher than Cd(II) ions. Moreover, the developed polymeric sensor was successfully applied to the determination of cadmium ions in food and water samples. This work was supported by Marmara University, Commission of Scientific Research Project.

Keywords: cadmium(II), fluorescence, photopolymerization, polymeric sensor

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Authors: Ahmad Awajan, Sadam Al Wadi

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In this study, a hybrid method based on Empirical Mode Decomposition and Holt-Winter (EMD-HW) is used to forecast Amman stock market data. First, the data are decomposed by EMD method into Intrinsic Mode Functions (IMFs) and residual components. Then, all components are forecasted by HW technique. Finally, forecasting values are aggregated together to get the forecasting value of stock market data. Empirical results showed that the EMD- HW outperform individual forecasting models. The strength of this EMD-HW lies in its ability to forecast non-stationary and non- linear time series without a need to use any transformation method. Moreover, EMD-HW has a relatively high accuracy comparing with eight existing forecasting methods based on the five forecast error measures.

Keywords: Holt-Winter method, empirical mode decomposition, forecasting, time series

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Authors: Ömer Aktaş, Olga A. Suvorova, Oleg Tretyakov

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The boundary value problem on non-canonical and arbitrary shaped contour is solved with a numerically effective method called Analytical Regularization Method (ARM) to calculate propagation parameters. As a result of regularization, the equation of first kind is reduced to the infinite system of the linear algebraic equations of the second kind in the space of L2. This equation can be solved numerically for desired accuracy by using truncation method. The parameters as cut-off wavenumber and cut-off frequency are used in waveguide evolutionary equations of electromagnetic theory in time-domain to illustrate the real-valued TM fields with lossy and lossless media.

Keywords: analytical regularization method, electromagnetic theory evolutionary equations of time-domain, TM Field

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Authors: Z. Bayat

Abstract:

A quantitative structure–property relationship (QSPR) study was performed to develop models those relate the structures of 65 Kovats retention index (RI) of adamantane derivatives. Molecular descriptors derived solely from 3D structures of the molecular compounds. The usefulness of the quantum chemical descriptors, calculated at the level of the DFT theories using 6-311+G** basis set for QSAR study of adamantane derivatives was examined. The use of descriptors calculated only from molecular structure eliminates the need to experimental determination of properties for use in the correlation and allows for the estimation of RI for molecules not yet synthesized. The prediction results are in good agreement with the experimental value. A multi-parametric equation containing maximum Four descriptors at B3LYP/6-31+G** method with good statistical qualities (R2train=0.913, Ftrain=97.67, R2test=0.770, Ftest=3.21, Q2LOO=0.895, R2adj=0.904, Q2LGO=0.844) was obtained by Multiple Linear Regression using stepwise method.

Keywords: DFT, adamantane, QSAR, Kovat

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