Search results for: proximal point method

Authors: S. A. Nta, M. J. Ayotamuno, A. H. Igoni, R. N. Okparanma

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The work sought to understand the pattern of movement of contaminant from a continuous point source through soil. The soil used was sandy-loam in texture. The contaminant used was municipal solid waste landfill leachate, introduced as a point source through an entry point located at the center of top layer of the soil tank. Analyses were conducted after maturity periods of 50 and 80 days. The maximum change in chemical concentration was observed on soil samples at a radial distance of 0.25 m. Finite element approximation based model was used to assess the future prediction, management and remediation in the polluted area. The actual field data collected for the case study were used to calibrate the modeling and thus simulated the flow pattern of the pollutants through soil. MATLAB R2015a was used to visualize the flow of pollutant through the soil. Dispersion coefficient at 0.25 and 0.50 m radial distance from the point of application of leachate shows a measure of the spreading of a flowing leachate due to the nature of the soil medium, with its interconnected channels distributed at random in all directions. Surface plots of metals on soil after maturity period of 80 days shows a functional relationship between a designated dependent variable (Y), and two independent variables (X and Z). Comparison of measured and predicted profile transport along the depth after 50 and 80 days of leachate application and end of the experiment shows that there were no much difference between the predicted and measured concentrations as they were all lying close to each other. For the analysis of contaminant transport, finite difference approximation based model was very effective in assessing the future prediction, management and remediation in the polluted area. The experiment gave insight into the most likely pattern of movement of contaminant as a result of continuous percolations of the leachate on soil. This is important for contaminant movement prediction and subsequent remediation of such soils.

Keywords: Contaminant, dispersion, point or leaky source, surface plot, soil.

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Authors: Mustafa Engin Basoğlu, Bekir Çakır

Abstract:

The most important component affecting the efficiency of photovoltaic power systems are solar panels. In other words, efficiency of these systems are significantly affected due to the being low efficiency of solar panel. Thus, solar panels should be operated under maximum power point conditions through a power converter. In this study, design of boost converter has been carried out with maximum power point tracking (MPPT) algorithm which is incremental conductance (Inc-Cond). By using this algorithm, importance of power converter in MPPT hardware design, impacts of MPPT operation have been shown. It is worth noting that initial operation point is the main criteria for determining the MPPT performance. In addition, it is shown that if value of load resistance is lower than critical value, failure operation is realized. For these analyzes, direct duty control is used for simplifying the control.

Keywords: Boost converter, Incremental Conductance (Inc- Cond), MPPT, Solar panel.

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Authors: Alessandro A. Zizzari, Francesca Calabrese, Giovanni Indiveri, Andrea Coraddu, Diego Villa

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The aim of this paper is to present a comparative study on two different methods for the evaluation of the equilibrium point of a ship, core issue for designing an On Board Stability System (OBSS) module that, starting from geometry information of a ship hull, described by a discrete model in a standard format, and the distribution of all weights onboard calculates the ship floating conditions (in draught, heel and trim).

Keywords: Algorithms, Computer applications, Equilibrium, Marine applications, Stability System.

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Authors: Syarifah Abd Rahim, Fatinah Ab Rahman, Engku N. E. M. Nasir, Noor A. Ramle

Abstract:

Co-crystal is believed to improve the solubility and dissolution rates and thus, enhanced the bioavailability of poor water soluble drugs particularly during the oral route of administration. With the existing of poorly soluble drugs in pharmaceutical industry, the screening of co-crystal formation using carbamazepine (CBZ) as a model drug compound with dicarboxylic acids co-crystal formers (CCF) namely fumaric (FA) and succinic (SA) acids in ethanol has been studied. The co-crystal formations were studied by varying the mol ratio values of CCF to CBZ to access the effect of CCF concentration on the formation of the co-crystal. Solvent evaporation, slurry and cooling crystallization which representing the solution based method co-crystal screening were used. Based on the differential scanning calorimetry (DSC) analysis, the melting point of CBZ-SA in different ratio was in the range between 188oC-189oC. For CBZ-FA form A and CBZ-FA form B the melting point in different ratio were in the range of 174oC-175oC and 185oC-186oC respectively. The product crystal from the screening was also characterized using X-ray powder diffraction (XRPD). The XRPD pattern profile analysis has shown that the CBZ co-crystals with FA and SA were successfully formed for all ratios studied. The findings revealed that CBZ-FA co-crystal were formed in two different polymorphs. It was found that CBZ-FA form A and form B were formed from evaporation and slurry crystallization methods respectively. On the other hand, in cooling crystallization method, CBZ-FA form A was formed at lower mol ratio of CCF to CBZ and vice versa. This study disclosed that different methods and mol ratios during the co-crystal screening can affect the outcome of co-crystal produced such as polymorphic forms of co-crystal and thereof. Thus, it was suggested that careful attentions is needed during the screening since the co-crystal formation is currently one of the promising approach to be considered in research and development for pharmaceutical industry to improve the poorly soluble drugs.

Keywords: Carbamazepine, co-crystal, co-crystal former, dicarboxylic acid.

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Authors: Wenlong Liu, Yucheng Liu

Abstract:

This paper introduces the application of seismic wave method in earthquake prediction and early estimation. The advantages of the seismic wave method over the traditional earthquake prediction method are demonstrated. An example is presented in this study to show the accuracy and efficiency of using the seismic wave method in predicting a medium-sized earthquake swarm occurred in Wencheng, Zhejiang, China. By applying this method, correct predictions were made on the day after this earthquake swarm started and the day the maximum earthquake occurred, which provided scientific bases for governmental decision-making.

Keywords: earthquake prediction, earthquake swarm, seismicactivity method, seismic wave method, Wencheng earthquake

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Authors: R. Uthayakumar, G. Arockia Prabakar

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In this paper, we introduce R Iterated Function System and employ the Hutchinson Barnsley theory (HB) to construct a fractal set as its unique fixed point by using Reich contractions in a complete b metric space. We discuss about well posedness of fixed point problem for b metric space.

Keywords: Fractals, Iterated Function System, Compact set, Reich Contraction, Well posedness.

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Authors: Atul Krishna Banik

Abstract:

Nonlinear response behaviour of a cracked RC beam under harmonic excitation is analysed to investigate various instability phenomena like, bifurcation, jump phenomena etc. The nonlinearity of the system arises due to opening and closing of the cracks in the RC beam and is modelled as a cubic polynomial. In order to trace different branches at the bifurcation point on the response curve (amplitude versus frequency of excitation plot), an arc length continuation technique along with the incremental harmonic balance (IHBC) method is employed. The stability of the solution is investigated by the Floquet theory using Hsu-s scheme. The periodic solutions obtained by the IHBC method are compared with these obtained by the numerical integration of the equation of motion. Characteristics of solutions fold bifurcation, jump phenomena and from stable to unstable zones are identified.

Keywords: Incremental harmonic balance, arc-length continuation, bifurcation, jump phenomena.

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Authors: Foad Saadi, M. Jalali Azizpour, S.A. Zahedi

Abstract:

The objective of this paper is to present a comparative study of Homotopy Perturbation Method (HPM), Variational Iteration Method (VIM) and Homotopy Analysis Method (HAM) for the semi analytical solution of Kortweg-de Vries (KdV) type equation called KdV. The study have been highlighted the efficiency and capability of aforementioned methods in solving these nonlinear problems which has been arisen from a number of important physical phenomenon.

Keywords: Variational Iteration Method (VIM), HomotopyPerturbation Method (HPM), Homotopy Analysis Method (HAM), KdV Equation.

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Authors: Chigbogu G. Ozoegwu, Sam N. Omenyi

Abstract:

The objective in this work is to generate and discuss the stability results of fully-immersed end-milling process with parameters; tool mass m=0.0431kg,tool natural frequency ω_n = 5700 rads^-1, damping factor ξ=0.002 and workpiece cutting coefficient C=3.5x10^7 Nm^-7/4. Different no of teeth is considered for the end-milling. Both 1-DOF and 2-DOF chatter models of the system are generated on the basis of non-linear force law. Chatter stability analysis is carried out using a modified form (generalized for both 1-DOF and 2-DOF models) of recently developed method called Full-discretization. The full-immersion three tooth end-milling together with higher toothed end-milling processes has secondary Hopf bifurcation lobes (SHBL’s) that exhibit one turning (minimum) point each. Each of such SHBL is demarcated by its minimum point into two portions; (i) the Lower Spindle Speed Portion (LSSP) in which bifurcations occur in the right half portion of the unit circle centred at the origin of the complex plane and (ii) the Higher Spindle Speed Portion (HSSP) in which bifurcations occur in the left half portion of the unit circle. Comments are made regarding why bifurcation lobes should generally get bigger and more visible with increase in spindle speed and why flip bifurcation lobes (FBL’s) could be invisible in the low-speed stability chart but visible in the high-speed stability chart of the fully-immersed three-tooth miller.

Keywords: Chatter, flip bifurcation, modified full-discretization map stability lobe, secondary Hopf bifurcation.

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Authors: A. M. Gsiea, J. P. Goss, P. R. Briddon, Ramadan. M. Al-habashi, K. M. Etmimi, Khaled. A. S. Marghani

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Using first-principles methods based on density functional theory and pseudopotentials, we have performed a details study of native defects in ZnO. Native point defects are unlikely to be cause of the unintentional n-type conductivity. Oxygen vacancies, which considered most often been invoked as shallow donors, have high formation energies in n-type ZnO, in edition are a deep donors. Zinc interstitials are shallow donors, with high formation energies in n-type ZnO, and thus unlikely to be responsible on their own for unintentional n-type conductivity under equilibrium conditions, as well as Zn antisites which have higher formation energies than zinc interstitials. Zinc vacancies are deep acceptors with low formation energies for n-type and in which case they will not play role in p-type coductivity of ZnO. Oxygen interstitials are stable in the form of electrically inactive split interstitials as well as deep acceptors at the octahedral interstitial site under n-type conditions. Our results may provide a guide to experimental studies of point defects in ZnO.

Keywords: DFT, Native, n-Type, ZnO.

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Authors: Pasayev, A., C. Askerov, R. Sadiqov, C. Ardil

Abstract:

In contrast to existing of calculation of temperature field of a profile part a blade with convective cooling which are not taking into account multi connective in a broad sense of this term, we develop mathematical models and highly effective combination (BIEM AND FDM) numerical methods from the point of view of a realization on the PC. The theoretical substantiation of these methods is proved by the appropriate theorems.

Keywords: multi coherent systems, method of the boundary integrated equations, singular operators, gas turbines

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Authors: Guangbin Wang, Deyu Sun, Fuping Tan

Abstract:

In this paper, we present new preconditioned modified accelerated overrelaxation (MAOR) method for solving linear systems. We compare the spectral radii of the iteration matrices of the preconditioned and the original methods. The comparison results show that the preconditioned MAOR method converges faster than the MAOR method whenever the MAOR method is convergent. Finally, we give one numerical example to confirm our theoretical results.

Keywords: preconditioned, MAOR method, linear system, convergence, comparison.

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Authors: YuriyTasinkevych, Ihor Trots, AndrzejNowicki, Marcin Lewandowski

Abstract:

The paper presents the optimization problem for the multi-element synthetic transmit aperture method (MSTA) in ultrasound imaging applications. The optimal choice of the transmit aperture size is performed as a trade-off between the lateral resolution, penetration depth and the frame rate. Results of the analysis obtained by a developed optimization algorithm are presented. Maximum penetration depth and the best lateral resolution at given depths are chosen as the optimization criteria. The optimization algorithm was tested using synthetic aperture data of point reflectors simulated by Filed II program for Matlab® for the case of 5MHz 128-element linear transducer array with 0.48 mm pitch are presented. The visualization of experimentally obtained synthetic aperture data of a tissue mimicking phantom and in vitro measurements of the beef liver are also shown. The data were obtained using the SonixTOUCH Research systemequipped with a linear 4MHz 128 element transducerwith 0.3 mm element pitch, 0.28 mm element width and 70% fractional bandwidth was excited by one sine cycle pulse burst of transducer's center frequency.

Keywords: synthetic aperture method, ultrasound imaging, beamforming.

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Authors: Li Xiguang

Abstract:

In this paper, by constructing a special non-empty closed convex set and utilizing M¨onch fixed point theory, we investigate the existence of solution for a class of fourth-order singular differential equation in Banach space, which improved and generalized the result of related paper.

Keywords: Banach space, cone, fixed point index, singular differential equation.

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Authors: Marrick Neri, Esmeraldo Ronnie Rey Zara

Abstract:

In this paper, we apply a semismooth active set method to image inpainting. The method exploits primal and dual features of a proposed regularized total variation model, following after the technique presented in [4]. Numerical results show that the method is fast and efficient in inpainting sufficiently thin domains.

Keywords: Active set method, image inpainting, total variation model.

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Authors: K. Shiba, T. Kobayashi, T. Kaburagi, Y. Kurihara

Abstract:

Elderly population in the world is increasing, and consequently, their nursing burden is also increasing. In such situations, monitoring and evaluating their daily action facilitates efficient nursing care. Especially, we focus on an unconscious activity during sleep, i.e. turnover. Monitoring turnover during sleep is essential to evaluate various conditions related to sleep. Bedsores are considered as one of the monitoring conditions. Changing patient’s posture every two hours is required for caregivers to prevent bedsore. Herein, we attempt to develop an unconstrained nocturnal monitoring system using a sensing device based on piezoelectric ceramics that can detect the vibrations owing to human body movement on the bed. In the proposed method, in order to construct a multi-points sensing, we placed two sensing devices under the right and left legs at the head-side of an ordinary bed. Using this equipment, when a subject lies on the bed, feature is calculated from the output voltages of the sensing devices. In order to evaluate our proposed method, we conducted an experiment with six healthy male subjects. Consequently, the period during which turnover occurs can be correctly classified as the turnover period with 100% accuracy.

Keywords: Turnover, piezoelectric ceramics, multi-points sensing, unconstrained monitoring system.

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Authors: Fatemeh Panjeh Ali Beik

Abstract:

In the present work, we propose a new method for solving the matrix equation AXB=F . The new method can be considered as a generalized form of the well-known global full orthogonalization method (Gl-FOM) for solving multiple linear systems. Hence, the method will be called extended Gl-FOM (EGl- FOM). For implementing EGl-FOM, generalized forms of block Krylov subspace and global Arnoldi process are presented. Finally, some numerical experiments are given to illustrate the efficiency of our new method.

Keywords: Matrix equations, Iterative methods, Block Krylovsubspace methods.

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Authors: K. Kannan, V. Venkataraman

Abstract:

Free convection effects and heat transfer due to a pulsating point heat source embedded in an infinite, fluid saturated, porous dusty medium are studied analytically. Both velocity and temperature fields are discussed in the form of series expansions in the Rayleigh number, for both the fluid and particle phases based on the mean heat generation rate from source and on the permeability of the porous dusty medium. This study is carried out by assuming the Rayleigh number small and the validity of Darcy-s law. Analytical expressions for both phases are obtained for second order mean in both velocity and temperature fields and evolution of different wave patterns are observed in the fluctuating part. It has been observed that, at the vicinity of the origin, the second order mean flow is influenced only by relaxation time of dust particles and not by dust concentration.

Keywords: Pulsating point heat source, azimuthal velocity, porous dusty medium, Darcy's law.

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Authors: Giulio Rosati, Luciano Sappia, Rossana Madrid, Noemi Rozlòsnik

Abstract:

The addition of PEG of different molecular weights has important effects on the physical, electrical and electrochemical properties of iron(III)-tosylate doped PEDOT. This particular polymer can be easily spin coated over plastic discs, optimizing thickness and uniformity of the PEDOT-PEG films. The conductivity and morphological analysis of the hybrid PEDOT-PEG polymer by 4-point probe (4PP), 12-point probe (12PP), and conductive AFM (C-AFM) show strong effects of the PEG doping. Moreover, the conductive films kinetics at the nanoscale, in response to different bias voltages, change radically depending on the PEG molecular weight. The hybrid conductive films show also interesting electrochemical properties, making the PEDOT PEG doping appealing for biosensing applications both for EIS-based and amperometric affinity/catalytic biosensors.

Keywords: Atomic force microscopy, biosensors, four-point probe, nano-films, PEDOT.

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Authors: Mohammad Taghi Darvishi, Samad Kheybari

Abstract:

In this paper, the dynamics of a system of two van der Pol oscillators with delayed position and velocity is studied. We provide an approximate solution for this system using parameterexpansion method. Also, we obtain approximate values for frequencies of the system. The parameter-expansion method is more efficient than the perturbation method for this system because the method is independent of perturbation parameter assumption.

Keywords: Parameter-expansion method, coupled van der pol oscillator, time-delay system.

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Authors: M. K. Balyan

Abstract:

The main principles of X-ray Fourier interferometric holography method are discussed. The object image is reconstructed by the mathematical method of Fourier transformation. The three methods are presented – method of approximation, iteration method and step by step method. As an example the complex amplitude transmission coefficient reconstruction of a beryllium wire is considered. The results reconstructed by three presented methods are compared. The best results are obtained by means of step by step method.

Keywords: Dynamical diffraction, hologram, object image, X-ray holography.

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Authors: Saeed Vahidifar, Mohammad Nakhaee Sharif, Mohammad Ghaffari

Abstract:

Few people would dispute the fact that one of the most common applications of energy is creating comfort in buildings, so it is probably true to say that management of energy consumption is required due to the environmental issues and increasing the efficiency of mechanical systems. From the geographical point of view, Iran is located in a warm and semi-arid region; therefore, air-cooled chillers are usually used for cooling residential buildings, commercial buildings, medical buildings, etc. In this study, a heat exchanger was designed for providing laundry hot water by utilizing condenser heat lost base on analytical results of a 540-bed hospital in the city of Mashhad in Iran. In this paper, by using the analytical method, energy consumption reduces about 13%, and coefficient of performance increases a bit. Results show that this method can help in the management of energy consumption a lot.

Keywords: Energy management, air-cooled chiller, heat exchanger, hospital laundry system.

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Authors: Faris Elghaish, Sepehr Abrishami, Mark Gaterell, Richard Wise

Abstract:

The collaboration and integration between all building information management (BIM) processes and tasks are necessary to ensure that all project objectives can be delivered. The literature review has been used to explore the state of the art BIM technologies to manage construction materials as well as the challenges which have faced the construction process using traditional methods. Thus, this paper aims to articulate a framework to integrate traditional material planning methods such as ABC analysis theory (Pareto principle) to analyse and categorise the project materials, as well as using independent material planning methods such as Economic Order Quantity (EOQ) and Fixed Order Point (FOP) into the BIM 4D, and 5D capabilities in order to articulate a dependent material planning cycle into BIM, which relies on the constructability method. Moreover, we build a model to connect between the material planning outputs and the BIM 4D and 5D data to ensure that all project information will be accurately presented throughout integrated and complementary BIM reporting formats. Furthermore, this paper will present a method to integrate between the risk management output and the material management process to ensure that all critical materials are monitored and managed under the all project stages. The paper includes browsers which are proposed to be embedded in any 4D BIM platform in order to predict the EOQ as well as FOP and alarm the user during the construction stage. This enables the planner to check the status of the materials on the site as well as to get alarm when the new order will be requested. Therefore, this will lead to manage all the project information in a single context and avoid missing any information at early design stage. Subsequently, the planner will be capable of building a more reliable 4D schedule by allocating the categorised material with the required EOQ to check the optimum locations for inventory and the temporary construction facilitates.

Keywords: Building information management, BIM, economic order quantity, fixed order point, BIM 4D, BIM 5D.

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Authors: Bib Paruhum Silalahi, Djihad Wungguli, Sugi Guritman

Abstract:

Steepest descent method is a simple gradient method for optimization. This method has a slow convergence in heading to the optimal solution, which occurs because of the zigzag form of the steps. Barzilai and Borwein modified this algorithm so that it performs well for problems with large dimensions. Barzilai and Borwein method results have sparked a lot of research on the method of steepest descent, including alternate minimization gradient method and Yuan method. Inspired by previous works, we modified the step size of the steepest descent method. We then compare the modification results against the Barzilai and Borwein method, alternate minimization gradient method and Yuan method for quadratic function cases in terms of the iterations number and the running time. The average results indicate that the steepest descent method with the new step sizes provide good results for small dimensions and able to compete with the results of Barzilai and Borwein method and the alternate minimization gradient method for large dimensions. The new step sizes have faster convergence compared to the other methods, especially for cases with large dimensions.

Keywords: Convergence, iteration, line search, running time, steepest descent, unconstrained optimization.

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Authors: Aleš Florian, Lenka Ševelová, Jaroslav Žák

Abstract:

Formation of tensile cracks in concrete slabs of rigid pavement can be (among others) the initiation point of the other, more serious failures which can ultimately lead to complete degradation of the concrete slab and thus the whole pavement. Two measures can be used for reliability assessment of this phenomenon - the probability of failure and/or the reliability index. Different methods can be used for their calculation. The simple ones are called moment methods and simulation techniques. Two methods - FOSM Method and Simple Random Sampling Method - are verified and their comparison is performed. The influence of information about the probability distribution and the statistical parameters of input variables as well as of the limit state function on the calculated reliability index and failure probability are studied in three points on the lower surface of concrete slabs of the older type of rigid pavement formerly used in the Czech Republic.

Keywords: Failure, pavement, probability, reliability index, simulation, tensile crack.

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Authors: Konstantinos C. Kartsakalis, Angeliki Skoura, Vasileios Megalooikonomou

Abstract:

The fuzzy composition of objects depicted in images acquired through MR imaging or the use of bio-scanners has often been a point of controversy for field experts attempting to effectively delineate between the visualized objects. Modern approaches in medical image segmentation tend to consider fuzziness as a characteristic and inherent feature of the depicted object, instead of an undesirable trait. In this paper, a novel technique for efficient image retrieval in the context of images in which segmented objects are either crisp or fuzzily bounded is presented. Moreover, the proposed method is applied in the case of multiple, even conflicting, segmentations from field experts. Experimental results demonstrate the efficiency of the suggested method in retrieving similar objects from the aforementioned categories while taking into account the fuzzy nature of the depicted data.

Keywords: Fuzzy Object, Fuzzy Image Segmentation, Motion Descriptors, MRI Imaging, Object-Based Image Retrieval.

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Authors: Yuan-Hong Ho, Chiung-Ju Huang

Abstract:

This article presents a monitoring indicators system that predicts whether a local government in Taiwan is heading for fiscal distress and identifies a suitable fiscal policy that would allow the local government to achieve fiscal balance in the long run. This system is relevant to stockholders’ interest, simple for national audit bodies to use, and provides an early warning of fiscal distress that allows preventative action to be taken.

Keywords: Fiscal distress, fiscal health, monitoring signals, 10-point scale.

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Authors: Ju-Seok Kim, Sun-Ae Moon, Tae-Gu Lee, Seung-Jae Moon, Jae-Heon Lee

Abstract:

As a simple to method estimate the plant heating energy capacity of an apartment complex, a new load calculation method has been proposed. The method which can be called as unit building method, predicts the heating load of the entire complex instead of summing up that of each apartment belonging to complex. Comparison of the unit heating load for various floor sizes between the present method and conventional approach shows a close agreement with dynamic load calculation code. Some additional calculations are performed to demonstrate it-s application examples.

Keywords: Unit Building Method, Unit Heating Load, TFMLoad.

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Authors: Jianning Tang, Xiaofeng Wu

Abstract:

With the increasing demand for space use in multiple sectors (navigation, telecommunication, imagery, etc.), the deployment and maintenance demand of satellites are growing. Considering the high launching cost and the restrictions on weight and size of the payload when using launch vehicle, the technique of on-orbit manufacturing has obtained more attention because of its significant potential to support future space missions. 3D printing is the most promising manufacturing technology that could be applied in space. However, due to the lack of autonomous quality assessment, the operation of conventional 3D printers still relies on human presence to supervise the printing process. This paper is proposed to develop an automatic 3D reconstruction system aiming at detecting failures on the 3D printed objects through application of point cloud technology. Based on the data obtained from the point cloud, the 3D printer could locate the failure and repair the failure. The system will increase automation and provide 3D printing with more feasibilities for space use without human interference.

Keywords: 3D printing, quality assessment, point cloud, on-orbit manufacturing.

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Authors: Attapong T., Hong-Ming Ku, Nakarin M., Narin L., Alisa L, Jirut W.

Abstract:

The quantum mechanics simulation was applied for calculating the interaction force between 2 molecules based on atomic level. For the simple extractive distillation system, it is ternary components consisting of 2 closed boiling point components (A,lower boiling point and B, higher boiling point) and solvent (S). The quantum mechanics simulation was used to calculate the intermolecular force (interaction force) between the closed boiling point components and solvents consisting of intermolecular between A-S and B-S. The requirement of the promising solvent for extractive distillation is that solvent (S) has to form stronger intermolecular force with only one component than the other component (A or B). In this study, the systems of aromatic-aromatic, aromatic-cycloparaffin, and paraffindiolefin systems were selected as the demonstration for solvent selection. This study defined new term using for screening the solvents called relative interaction force which is calculated from the quantum mechanics simulation. The results showed that relative interaction force gave the good agreement with the literature data (relative volatilities from the experiment). The reasons are discussed. Finally, this study suggests that quantum mechanics results can improve the relative volatility estimation for screening the solvents leading to reduce time and money consuming

Keywords: Extractive distillation, Interaction force, Quamtum mechanic, Relative volatility, Solvent extraction.

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