Search results for: Energy equation

Authors: J. Carlos Frutos Dordelly, M. Coillot, M. El Mankibi, R. Enríquez Miranda, M. José Jimenez, J. Arce Landa

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Natural ventilation systems have increasingly been the subject of research due to rising energetic consumption within the building sector and increased environmental awareness. In the last two decades, the mounting concern of greenhouse gas emissions and the need for an efficient passive ventilation system have driven the development of new alternative passive technologies such as ventilated facades, trombe walls or solar chimneys. The objective of the study is the assessment of PCM panels in an in situ solar chimney for the establishment of a numerical model. The PCM integrated solar chimney shows slight performance improvement in terms of mass flow rate and external temperature and outlet temperature difference. An increase of 11.3659 m³/h can be observed during low wind speed periods. Additionally, the surface temperature across the chimney goes beyond 45 °C and allows the activation of PCM panels.

Keywords: Energy storage, passive ventilation, phase changing materials, solar chimney, solar energy.

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Authors: Reza Rezaei-Nasirabad, Zeinab Galavani, Rasoul Sadighi-Bonabi, Mohammad Asgarian

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Role of acoustic driving pressure on the translational-radial dynamics of a moving single bubble sonoluminescence (m-SBSL) has been numerically investigated. The results indicate that increase in the amplitude of the driving pressure leads to increase in the bubble peak temperature. The length and the shape of the trajectory of the bubble depends on the acoustic pressure and because of the spatially dependence of the radial dynamics of the moving bubble, its peak temperature varies during the acoustical pulses. The results are in good agreement with the experimental reports on m-SBSL.

Keywords: Bubble dynamics, Equation of the gas state, Hydrodynamic force, Moving sonoluminescence.

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Authors: Deepak Kumar, Vivek Kumar, V. P. Singh

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This paper describes a steady state model of a multiple effect evaporator system for simulation and control purposes. The model includes overall as well as component mass balance equations, energy balance equations and heat transfer rate equations for area calculations for all the effects. Each effect in the process is represented by a number of variables which are related by the energy and material balance equations for the feed, product and vapor flow for backward, mixed and split feed. For simulation 'fsolve' solver in MATLAB source code is used. The optimality of three sequences i.e. backward, mixed and splitting feed is studied by varying the various input parameters.

Keywords: MATLAB "fsolve" solver, multiple effectevaporators, black liquor, feeding sequences.

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Authors: Rana Khalid Naeem, Asif Mansoor, Waseem Ahmed Khan, Aurangzaib

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The exact solutions of the equations describing the steady plane motion of an incompressible fluid of variable viscosity for an arbitrary state equation are determined in the (ξ,ψ) − or (η,ψ )- coordinates where ψ(x,y) is the stream function, ξ and η are the parts of the analytic function, ϖ =ξ( x,y )+iη( x,y ). Most of the solutions involve arbitrary function/ functions indicating  that the flow equations possess an infinite set of solutions. 

Keywords: Exact solutions, Fluid of variable viscosity, Navier-Stokes equations, Steady plane flows

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Authors: Francis Chinweuba Eboh, Peter Ahlström, Tobias Richards

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Entropy, as an outcome of the second law of thermodynamics, measures the level of irreversibility associated with any process. The identification and reduction of irreversibility in the energy conversion process helps to improve the efficiency of the system. The entropy of pure substances known as absolute entropy is determined at an absolute reference point and is useful in the thermodynamic analysis of chemical reactions; however, municipal solid waste (MSW) is a structurally complicated material with unknown absolute entropy. In this work, an empirical model to calculate the absolute entropy of MSW based on the content of carbon, hydrogen, oxygen, nitrogen, sulphur, and chlorine on a dry ash free basis (daf) is presented. The proposed model was derived from 117 relevant organic substances which represent the main constituents in MSW with known standard entropies using statistical analysis. The substances were divided into different waste fractions; namely, food, wood/paper, textiles/rubber and plastics waste and the standard entropies of each waste fraction and for the complete mixture were calculated. The correlation of the standard entropy of the complete waste mixture derived was found to be s^o_msw= 0.0101C + 0.0630H + 0.0106O + 0.0108N + 0.0155S + 0.0084Cl (kJ.K^-1.kg) and the present correlation can be used for estimating the absolute entropy of MSW by using the elemental compositions of the fuel within the range of 10.3% ≤ C ≤ 95.1%, 0.0% ≤ H ≤ 14.3%, 0.0% ≤ O ≤ 71.1%, 0.0 ≤ N ≤ 66.7%, 0.0% ≤ S ≤ 42.1%, 0.0% ≤ Cl ≤ 89.7%. The model is also applicable for the efficient modelling of a combustion system in a waste-to-energy plant.

Keywords: Absolute entropy, irreversibility, municipal solid waste, waste-to-energy.

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Authors: Shirong Li, Xueping Xiang

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Construction site safety in China has aroused comprehensive concern all over the world. It is imperative to investigate the main causes of poor construction site safety. This paper divides all the causes into four aspects, namely the factors of workers, object, environment and management and sets up the accident causes element system based on Delphi Method. This is followed by the application of structural equation modeling to examine the importance of each aspect of causes from the standpoints of different roles related to the construction respectively. The results indicate that all the four aspects of factors are in need of improvement, and different roles have different ideas considering the priority of those factors. The paper has instructive significance for the practitioners to take measures to improve construction site safety in China accordingly.

Keywords: construction site safety, Delphi Method, structuralequation modeling, different perspective.

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Authors: Maziar Asefi

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Built environments have a large impact on environmental sustainability and if it is not considered properly can negatively affect our planet. The application of transformable intelligent building systems that automatically respond to environmental conditions is one of the best ways that can intelligently assist us to create sustainable environment. The significance of this issue is evident as energy crisis and environmental changes has made the sustainability the main concerns in many societies. The aim of this research is to review and evaluate the importance and influence of transformable intelligent structure on the creation of sustainable architecture. Intelligent systems in current buildings provide convenience through automatically responding to changes in environmental conditions, reducing energy dissipation and increase of the lifecycle of buildings. This paper by analyzing significant intelligent building systems will evaluate the potentials of transformable intelligent systems in the creation of sustainable architecture and environment.

Keywords: Transformable, Sustainable architecture, Intelligent building system, Environment condition

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Authors: Sumit Gandhi

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The effect of an abruptly expanding channel on the main characteristics of hydraulic jump is considered experimentally. The present study was made for supercritical flow of Froude number varying between 2 to 9 and approach to expanded channel width ratios 0.4, 0.5, 0.6 and 0.8. Physical explanations of the variation of these characteristics under varying flow conditions are discussed based on the observation drawn from experimental results. The analytical equation for the sequent depth ratio in an abruptly expanding channel as given by eminent hydraulic engineers are verified well with the experimental data for all expansion ratios, and the empirical relation was also verified with the present experimental data.

Keywords: Abruptly Expanding Channel, Hydraulic Jump, Efficiency, Sequent Depth Ratio.

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Authors: V. K. Nelson, S. Karthikeyan

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Axisymmetric vibration of an infinite Pyrocomposite circular hollow cylinder made of inner and outer pyroelectric layer of 6mm-class bonded together by a Linear Elastic Material with Voids (LEMV) layer is studied. The exact frequency equation is obtained for the traction free surfaces with continuity condition at the interfaces. Numerical results in the form of data and dispersion curves for the first and second mode of the axisymmetric vibration of the cylinder BaTio3 / Adhesive / BaTio3 by taking the Adhesive layer as an existing Carbon Fibre Reinforced Polymer (CFRP) are compared with a hypothetical LEMV layer with and without voids and as well with a pyroelectric hollow cylinder. The damping is analyzed through the imaginary parts of the complex frequencies.

Keywords: Axisymmetric vibration, CFRP, hollow cylinders, LEMV, pyrocomposite

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Authors: Zilong Feng, Hong Li, Yang Liu, Siriguleng He

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In this article, an adaptive least-squares mixed finite element method is studied for pseudo-parabolic integro-differential equations. The solutions of least-squares mixed weak formulation and mixed finite element are proved. A posteriori error estimator is constructed based on the least-squares functional and the posteriori errors are obtained.

Keywords: Pseudo-parabolic integro-differential equation, least squares mixed finite element method, adaptive method, a posteriori error estimates.

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Authors: M. Vijaya Kini, R. S. Pai, D. Srikanth Rao, Satish Shenoy B, R. Pai

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The stability characteristics of water lubricated journal bearings having three axial grooves are obtained theoretically. In this lubricant (water) is fed under pressure from one end of the bearing, through the 3-axial grooves (groove angles may vary). These bearings can use the process fluid as the lubricant, as in the case of feed water pumps. The Reynolds equation is solved numerically by the finite difference method satisfying the boundary conditions. The stiffness and damping coefficient for various bearing number and eccentricity ratios, assuming linear pressure drop along the groove, shows that smaller groove angles better results.

Keywords: 3-axial groove, dynamic characteristics, groovelocation, water lubricated bearings.

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Authors: I-Huan Chiu, Kazuhiko Ninomiya, Shin’ichiro Takeda, Meito Kajino, Miho Katsuragawa, Shunsaku Nagasawa, Atsushi Shinohara, Tadayuki Takahashi, Ryota Tomaru, Shin Watanabe, Goro Yabu

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In recent years, a nondestructive elemental analysis method based on muonic X-ray measurements has been developed and applied for various samples. Muonic X-rays are emitted after the formation of a muonic atom, which occurs when a negatively charged muon is captured in a muon atomic orbit around the nucleus. Because muonic X-rays have a higher energy than electronic X-rays due to the muon mass, they can be measured without being absorbed by a material. Thus, estimating the two-dimensional (2D) elemental distribution of a sample became possible using an X-ray imaging detector. In this work, we report a non-destructive imaging experiment using muonic X-rays at Japan Proton Accelerator Research Complex. The irradiated target consisted of a polypropylene material, and a double-sided silicon strip detector, which was developed as an imaging detector for astronomical obervation, was employed. A peak corresponding to muonic X-rays from the carbon atoms in the target was clearly observed in the energy spectrum at an energy of 14 keV, and 2D visualizations were successfully reconstructed to reveal the projection image from the target. This result demonstrates the potential of the nondestructive elemental imaging method that is based on muonic X-ray measurement. To obtain a higher position resolution for imaging a smaller target, a new detector system will be developed to improve the statistical analysis in further research.

Keywords: DSSD, muon, muonic X-ray, imaging, non-destructive analysis

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Authors: Meichen Lee, Michael K. H. Leung

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In recent years, visible-light activated photocatalysis has become a major field of intense researches for the higher efficiency of solar energy utilizations. Many attempts have been made on the modification of wide band gap semiconductors, while more and more efforts emphasize on cost-effective synthesis of visible-light activated catalysts. In this work, BiOBr nanoplates with band gap of visible-light range are synthesized through a promising microwave solvothermal method. The treatment time period and temperature dependent BiOBr nanosheets of various particle sizes are investigated through SEM. BiOBr synthesized under the condition of 160°C for 60 mins shows the most uniform particle sizes around 311 nm and the highest surface-to-volume ratio on account of its smallest average particle sizes compared with others. It exhibits the best photocatalytic behavior among all samples in RhB degradation.

Keywords: Microwave solvothermal process, nanoplates, solar energy, visible-light photocatalysis.

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Authors: Sung-Hun Lee, Yun-Seong Lee, Jin-O Kim

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Reliability Centered Maintenance(RCM) is one of most widely used methods in the modern power system to schedule a maintenance cycle and determine the priority of inspection. In order to apply the RCM method to the Smart Grid, a precedence study for the new structure of rearranged system should be performed due to introduction of additional installation such as renewable and sustainable energy resources, energy storage devices and advanced metering infrastructure. This paper proposes a new method to evaluate the priority of maintenance and inspection of the power system facilities in the Smart Grid using the Risk Priority Number. In order to calculate that risk index, it is required that the reliability block diagram should be analyzed for the Smart Grid system. Finally, the feasible technical method is discussed to estimate the risk potential as part of the RCM procedure.

Keywords: Expert System, FMECA, Fuzzy Theory, Reliability Centered Maintenance, Risk Priority Number

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Authors: Defne Akay, Bekir S. Kandemir

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In this paper, we investigate the low-lying energy levels of the two-dimensional parabolic graphene quantum dots (GQDs) in the presence of topological defects with long range Coulomb impurity and subjected to an external uniform magnetic field. The low-lying energy levels of the system are obtained within the framework of the perturbation theory. We theoretically demonstrate that a valley splitting can be controlled by geometrical parameters of the graphene quantum dots and/or by tuning a uniform magnetic field, as well as topological defects. It is found that, for parabolic graphene dots, the valley splitting occurs due to the introduction of spatial confinement. The corresponding splitting is enhanced by the introduction of a uniform magnetic field and it increases by increasing the angle of the cone in subcritical regime.

Keywords: Coulomb impurity, graphene cones, graphene quantum dots, topological defects.

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Authors: M. Karami Khorramabadi, A. R. Nezamabadi

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This paper studies mechanical buckling of functionally graded beams subjected to axial compressive load that is simply supported at both ends lies on a continuous elastic foundation. The displacement field of beam is assumed based on Engesser-Timoshenko beam theory. Applying the Hamilton's principle, the equilibrium equation is established. The influences of dimensionless geometrical parameter, functionally graded index and foundation coefficient on the critical buckling load of beam are presented. To investigate the accuracy of the present analysis, a compression study is carried out with a known data.

Keywords: Mechanical Buckling, Functionally graded beam- Engesser-Timoshenko beam theory

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Authors: Merna H. Ibrahim

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Designing buildings which are sustainable and can control and reduce the solar radiation penetrated from the building facades is such an architectural turn. One of the most important methods of saving energy in a building is carefully designing its facade. Building’s facade is one of the most significant contributors to the energy budget as well as the comfort parameters of a building. Responsive architecture adapts to the surrounding environment causing alteration in the envelope configuration to perform in a more effectively way. One of the objectives of the responsive facades is to protect the building’s users from the external environment and achieving comfortable indoor environment. Solar radiation is one of the aspects that affects the comfortable indoor environment, as well as affects the energy consumption consumed by the HVAC systems for maintaining the indoor comfortable conditions. The aim of the paper is introducing and comparing between four different proposed responsive façade designs in terms of solar radiation reduction on the west façade of a building located in the hot arid region. In addition, the paper highlights the reducing amount of the solar radiation for each proposed responsive facades on the west façade. At the end of the paper, a proposal is introduced which combines the four different axis of movements which reduces the solar radiation the most. Moreover, the paper highlights the definition and aim of the responsive architecture, as well as the focusing on the solar radiation aspect in the hot arid zones. Besides, the paper analyzes an international responsive façade building in Essen, Germany, focusing on the type of responsive facades, angle of rotation, mechanism of movement and the effect of the responsive facades on the building’s performance.

Keywords: kinetic facades, mechanism of movement, responsive architecture, solar radiation

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Authors: Julian David Hunt, Andreas Nascimento

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Green hydrogen is the most environmental, renewable alternative to produce hydrogen. However, an important challenge to make hydrogen a competitive energy carrier is a constant supply of renewable energy, such as solar, wind and hydropower. Given that the electricity generation potential of these sources vary seasonally and interannually, this paper proposes installing an electrolysis hydrogen production plant in a ship and move the ship to the locations where electricity is cheap, or where the seasonal potential for renewable generation is high. An example of electrolysis ship application is to produce green hydrogen with hydropower from the North region of Brazil and then sail to the Northeast region of Brazil and generate hydrogen using excess electricity from offshore wind power. The electrolysis ship concept is interesting because it has the flexibility to produce green hydrogen using the cheapest renewable electricity available in the market.

Keywords: Green hydrogen, electrolysis ship, renewable energies, seasonal variations.

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Authors: Basudev Ghosh, Sreyasi Banerjee

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Using the pseudopotential technique the Sagdeev potential equation has been derived in a plasma consisting of twotemperature nonisothermal electrons, negatively charged dust grains and warm positive ions. The study shows that the presence of nonisothermal two-temperature electrons and charged dust grains have significant effects on the excitation and structure of the ionacoustic double layers in the model plasma under consideration. Only compressive type double layer is obtained in the present plasma model. The double layer solution has also been obtained by including higher order nonlinearity and nonisothermality, which is shown to modify the amplitude and deform the shape of the double layer.

Keywords: Two temperature non-isothermal electrons and charged dust grains.

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Authors: P. K. Rahul Krishna, S. Sandeep Kumar, Jayanthi Sunder Raj

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The article explores one of the important relations between numbers-the Pythagorean triples (triplets) which finds its application in distance measurement, construction of roads, towers, buildings and wherever Pythagoras theorem finds its application. The Pythagorean triples are numbers, that satisfy the condition “In a given set of three natural numbers, the sum of squares of two natural numbers is equal to the square of the other natural number”. There are numerous methods and equations to obtain the triplets, which have their own merits and demerits. Here, quadratic approach for generating triples uses the hypotenuse leg difference method. The advantage is that variables are few and finally only three independent variables are present.

Keywords: Arithmetic progression, hypotenuse leg difference method, natural numbers, Pythagorean triplets, quadratic equation.

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Authors: Timothy E. Frank, Josh R. Aldred, Sophie B. Boulware, Michelle K. Cabonce, Justin H. White

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Materials degrade at different rates in different environments depending on factors such as temperature, aridity, salinity, and solar radiation. Therefore, predicting asset longevity depends, in part, on the environmental conditions to which the asset is exposed. Heating, ventilation, and air conditioning (HVAC) systems are critical to building operations yet are responsible for a significant proportion of their energy consumption. HVAC energy use increases substantially with slight operational inefficiencies. Understanding the environmental influences on HVAC degradation in detail will inform maintenance schedules and capital investment, reduce energy use, and increase lifecycle management efficiency. HVAC inspection records spanning 14 years from 21 locations across the United States were compiled and associated with the climate conditions to which they were exposed. Three environmental features were explored in this study: average high temperature, average low temperature, and annual precipitation, as well as four non-environmental features. Initial insights showed no correlations between individual features and the rate of HVAC component degradation. Using neighborhood component analysis, however, the most critical features related to degradation were identified. Two models were considered, and results varied between them. However, longitude and latitude emerged as potentially the best predictors of average HVAC component degradation. Further research is needed to evaluate additional environmental features, increase the resolution of the environmental data, and develop more robust models to achieve more conclusive results.

Keywords: Climate, infrastructure degradation, HVAC, neighborhood component analysis.

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Authors: Farai Nyabadza

Abstract:

The functional response of an infective is the relationship between an infected individual-s infection rate and the abundance of the number of susceptibles that one can potentially be infected. In this paper, we consider defensive attitudes for HIV prevention (primary prevention) while at the same time emphasizing on offensive attitudes that reduce infection for those infected (secondary prevention). We look at how defenses can protect an uninfected individual in the case where high risk groups such as commercial sex workers and those who deliberately go out to look for partners. We propose an infection cycle that begins with a search, then an encounter, a proposal and contact. The infection cycle illustrates the various steps an infected individual goes through to successfully infect a susceptible. For heterogeneous transmission of HIV, there will be no infection unless there is contact. The ability to avoid an encounter, detection, proposal and contact constitute defense.

Keywords: Functional response, Infection cycle, Prevention, Defences, SSS equation.

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Authors: Wonsim Cha, Kibum Kim, Kyungwook Choi, Kihyung Lee

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A co-generation system in automobile can improve thermal efficiency of vehicle in some degree. The waste heat from the engine exhaust and coolant is still attractive energy source that reaches around 60% of the total energy converted from fuel. To maximize the effectiveness of heat exchangers for recovering the waste heat, it is vital to select the most suitable working fluid for the system, not to mention that it is important to find the optimum design for the heat exchangers. The design of heat exchanger is out of scoop of this study; rather, the main focus has been on the right selection of working fluid for the co-generation system. Simulation study was carried out to find the most suitable working fluid that can allow the system to achieve the optimum efficiency in terms of the heat recovery rate and thermal efficiency.

Keywords: Cycle Analysis, Heat Recovery, Rankine Cycle, Waste Heat Recovery, Working Fluid.

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Authors: Daniel Y. Abebe, Sijeong Jeong, Jaehyouk Choi

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The use of eccentrically braced frame (EBF) is increasing day by day as EBF possesses high elastic stiffness, stable inelastic response under cyclic lateral loading, and excellent ductility and energy dissipation capacity. The ductility and energy dissipation capacity of EBF depends on the active link beams. Recently, there are two types EBFs; these are conventional EBFs and EBFs with replaceable links. The conventional EBF has a disadvantage during maintenance in post-earthquake. The concept of removable active link beam in EBF is developed to overcome the limitation of the conventional EBF in post-earthquake. In this study, a replaceable link with reduced web section is introduced and design equations are suggested. In addition, nonlinear finite element analysis was conducted in order to evaluate the proposed links.

Keywords: EBFs, replaceable link, earthquake disaster, reduced section.

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Authors: E. Cintura, M. I. Gomes

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Nowadays, sustainable development issues have a key role in the planning of the man-made environment. Ensuring this development means limiting the impact of human activity on nature. It is essential to secure healthy places and good living conditions. For these reasons, indoor air quality and building materials play a fundamental role in sustainable architectural projects. These factors significantly affect human health: they can radically change the quality of the internal environment and energy consumption. The use of natural materials such as earth has many beneficial aspects in comfort and indoor air quality. As well as advantages in the environmental impact of the construction, they ensure a low energy consumption. Since they are already present in nature, their production and use do not require a high-energy consumption. Furthermore, they have a high thermo-hygrometric capacity, being able to absorb moisture, contributing positively to indoor conditions. Indoor air quality is closely related to relative humidity. For these reasons, it can be affirmed that the use of earth materials guarantees a sustainable development and at the same time improves the health of the building users. This paper summarizes several researches that demonstrate the importance of indoor air quality for human health and how it strictly depends on the building materials used. Eco-efficient plasters are also considered: earth and ash mortar. The bibliography consulted has the objective of supporting future experimental and laboratory analyzes. It is necessary to carry on with research by the use of simulations and testing to confirm the hygrothermal properties of eco-efficient plasters and therefore their ability to improve indoor air quality.

Keywords: Hygroscopicity, hygrothermal comfort, mortar, plaster.

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Authors: Chalermsak Leetrakool, Komson Jirapattarasilp

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This research was to study effect of rotational speed and eccentric factors, which were affected on looseness of bearing. The experiment was conducted on three rotational speeds and five eccentric distances with 5 replications. The results showed that influenced factor affected to looseness of bearing was rotational speed and eccentric distance which showed statistical significant. Higher rotational speed would cause on high looseness. Moreover, more eccentric distance, more looseness of bearing. Using bearing at high rotational with high eccentric of shaft would be affected bearing fault more than lower rotational speed. The prediction equation of looseness was generated by regression analysis. The prediction has an effected to the looseness of bearing at 91.5%.

Keywords: Bearing, Looseness, Rotational speed, Eccentric

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Authors: Mitsuyuki Kawakami, Kimihiro Yamanaka

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The top-heavy demographic of low birth-rate and longer lifespan is a growing social problem, and one of its expected effects will be a shortage of young workers and a growing reliance on a workforce of middle-aged and older people. However, the environment of today's industrial workplace is not particularly suited to middle-aged and older workers, one notable problem being temperature control. Higher temperatures can cause health problems such as heat stroke, and the number of cases increases sharply in people over 65. Moreover, in conditions above 33°C, older people can develop circulatory system disorders, and also have a higher chance of suffering a fatal heart attack. We therefore propose a new method for controlling temperature in the indoor workplace. In this study two different verification experiments were conducted, with the proposed temperature control method being tested in cargo containers and conventional houses. The method's effectiveness was apparent in measurements of temperature and electricity consumption

Keywords: CO2 reduction, Energy saving, Temperature control

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Authors: Vera Pujani

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The purpose of this study is to investiagte the use of the ecommerce website in Indonesia as a developing country. The ecommerce website has been identified having the significant impact on business activities in particular solving the geographical problem for islanded countries likes Indonesia. Again, website is identified as a crucial marketing tool. This study presents the effect of quality and features on the use and user satisfaction employing ecommerce websites. Survey method for 115 undergraduate students of Management Department in Andalas University who are attending Management Information Systems (SIM) class have been undertaken. The data obtained is analyzed using Structural Equation Modeling (SEM) using SmartPLS program. This result found that quality of system and information, feature as well satisfaction influencing the use ecommerce website in Indonesia contexts.

Keywords: Use, Developing Country, Satisfaction, Website

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Authors: Abdelrahman A. H. Abdelrahim, Gharib Subhi Mahmoud, Sherzod Turaev, Azeddine Messikh

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Quantum gates are the basic building blocks in the quantum circuits model. These gates can be implemented using adiabatic or non adiabatic processes. Adiabatic models can be controlled using auxiliary qubits, whereas non adiabatic models can be simplified by using one single-shot implementation. In this paper, the controlled adiabatic evolutions is combined with the single-shot implementation to obtain quantum gates with controlled non adiabatic evolutions. This is an important improvement which can speed the implementation of quantum gates and reduce the errors due to the long run in the adiabatic model. The robustness of our scheme to different types of errors is also investigated.

Keywords: Adiabatic evolutions, non adiabatic evolutions, controlled adiabatic evolutions, quantum rotation gates, dephasing rates, master equation.

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Authors: M. Jahangiri Lahkani, Gh. Ghassemi, N. Sohrabi, N. Rasooli

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Geometry optimizations of metal complexes of Salen(bis(Salicylidene)1,2-ethylenediamine) were carried out at HF and DFT methods employing Lanl2DZ basis set. In this work structural, energies, bond lengths and other physical properties between Mn2+,Cu2+ and Ni2+ ions coordinated by salen–type ligands are examined. All calculations were performed using Gaussian 98W program series. To investigate local aromaticities, NICS were calculated at all centers of rings. The higher the band gap indicating a higher global aromaticity. The possible binding energies have been evaluated. We have evaluated Frequencies and Zero-point energy with freq calculation. The NICS(Nucleous Independent Chemical Shift) Results show Ni(II) complexes are antiaromatic and aromaticites of Mn(II) complexes are larger than Cu(II) complexes. The energy Results show Cu(II) complexes are stability than Mn(II) and Ni(II) complexes.

Keywords: Frequency Calculation, Hartree-Fock (HF), Nucleous Independent Chemical Shift (NICS), Salen(bis(Salicylidene)1, 2-ethylenediamine).

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