Search results for: energy transmission line

Authors: Rohit, S. Vishnuvardhan, P. Gandhi, Nagesh R. Iyer

Abstract:

The evaluation of energy release rate and centre Crack Opening Displacement (COD) for circumferential Through-Wall Cracked (TWC) pipes is an important issue in the assessment of critical crack length for unstable fracture. The ability to predict crack growth continues to be an important component of research for several structural materials. Crack growth predictions can aid the understanding of the useful life of a structural component and the determination of inspection intervals and criteria. In this context, studies were carried out at CSIR-SERC on Nuclear Power Plant (NPP) piping components subjected to monotonic as well as cyclic loading to assess the damage for crack growth due to low-cycle fatigue in circumferentially TWC pipes.

Keywords: 304LN stainless steel, cyclic J-integral, Elastic- Plastic Fracture Mechanics, J-integral, Through-wall crack

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Authors: O. Babalola Oladapo, A. Igbatayo Samuel

Abstract:

Climate change and poverty are global issues which cannot be waved aside in welfare of the ever increasing population. The causes / consequences are far more elaborate in developing countries, including Nigeria, which poses threats to the existence of man and his environment. The dominant role of agriculture makes it obvious that even minor climate deteriorations can cause devastating socio-economic consequences. Policies to curb the climate change by reducing the consumption of fossil fuels like oil, gas or carbon compounds have significant economical impacts on the producers/suppliers of these fuels. Thus a unified political narrative that advances both agendas is needed, because their components of an environmental coin that needs to be addressed. The developed world should maintain a low-carbon growth & real commitment of 0.7% of gross national income, as aid to developing countries & renewable energy approach should be emphasized, hence global poverty combated.

Keywords: Climate Change, Greenhouse gases, Nigeria, Poverty.

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Authors: M. Hoseinnezhad, K. Gharanjig

Abstract:

Two organic dyes comprising carbazole as the electron donors and cyanoacetic acid moieties as the electron acceptors were synthesized. The organic dye was prepared by standard reaction from carbazole as the starting material. To this end, carbazole was reacted with bromobenzene and further oxidation and reacted with cyanoacetic acid. The obtained organic dye was purified and characterized using differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FT-IR), proton nuclear magnetic resonance (¹HNMR), carbon nuclear magnetic resonance (¹³CNMR) and elemental analysis. The influence of heteroatom on carbazole donors and cyno substitution on the acid acceptor is evidenced by spectral and electrochemical photovoltaic experiments. Finally, light fastness properties for organic dye were investigated.

Keywords: Dye-sensitized solar cells, Indoline dye, nanostructure, oxidation potential, solar energy.

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Authors: Yasuyuki Konishi, Masayoshi Kobayashi

Abstract:

Six parameters, the effective diffusivity (De), activation energy of De, pre-exponential factor of De, amount (ASOW) of self-organized water species, and amplitude (α) of the forced oscillation of the molecular mobility (1/tC) derived from the forced cyclic temperature change operation, were characterized by using six typical foods, squid, sardines, scallops, salmon, beef, and pork, as a function of the correlation time (tC) of the water molecule-s proton retained in the foods. Each of the six parameters was clearly divided into the water species A1 and A2 at a specified value of tC =10-8s (=CtC), indicating an anomalous change in the physicochemical nature of the water species at the CtC. The forced oscillation of 1/tC clearly demonstrated a characteristic mode depending on the food shown as a three dimensional map associated with 1/tC, the amount of self-organized water, and tC.

Keywords: molecular mobility, self-organization, hysteresis, water species A1 and A2, forced cyclic temperature change operation (FCTCO)

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Authors: Mohammed Farag, Mina Attari, S. Andrew Gadsden, Saeid R. Habibi

Abstract:

Battery state of charge (SOC) estimation is an important parameter as it measures the total amount of electrical energy stored at a current time. The SOC percentage acts as a fuel gauge if it is compared with a conventional vehicle. Estimating the SOC is, therefore, essential for monitoring the amount of useful life remaining in the battery system. This paper looks at the implementation of three nonlinear estimation strategies for Li-Ion battery SOC estimation. One of the most common behavioral battery models is the one state hysteresis (OSH) model. The extended Kalman filter (EKF), the smooth variable structure filter (SVSF), and the time-varying smoothing boundary layer SVSF are applied on this model, and the results are compared.

Keywords: State of charge estimation, battery modeling, one-state hysteresis, filtering and estimation.

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Authors: G. Mokryani, M. R. Haghifam, J. Esmaeilpoor

Abstract:

Happening of Ferroresonance phenomenon is one of the reasons of consuming and ruining transformers, so recognition of Ferroresonance phenomenon has a special importance. A novel method for classification of Ferroresonance presented in this paper. Using this method Ferroresonance can be discriminate from other transients such as capacitor switching, load switching, transformer switching. Wavelet transform is used for decomposition of signals and Competitive Neural Network used for classification. Ferroresonance data and other transients was obtained by simulation using EMTP program. Using Daubechies wavelet transform signals has been decomposed till six levels. The energy of six detailed signals that obtained by wavelet transform are used for training and trailing Competitive Neural Network. Results show that the proposed procedure is efficient in identifying Ferroresonance from other events.

Keywords: Competitive Neural Network, Ferroresonance, EMTP program, Wavelet transform.

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Authors: S. Avdakovic, A. Lukac, A. Nuhanovic, M. Music

Abstract:

Renewable energy systems are becoming a topic of great interest and investment in the world. In recent years wind power generation has experienced a very fast development in the whole world. For planning and successful implementations of good wind power plant projects, wind potential measurements are required. In these projects, of great importance is the effective choice of the micro location for wind potential measurements, installation of the measurement station with the appropriate measuring equipment, its maintenance and analysis of the gained data on wind potential characteristics. In this paper, a wavelet transform has been applied to analyze the wind speed data in the context of insight in the characteristics of the wind and the selection of suitable locations that could be the subject of a wind farm construction. This approach shows that it can be a useful tool in investigation of wind potential.

Keywords: Wind potential, Wind speed data, Wavelettransform.

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Authors: N. C. Shahi, Anupama Singh, A. E. Kate

Abstract:

There was a scenario present day that drying of fresh fruits and vegetables by indirect solar drying by using mechanical device; hence, an effort was made to develop a small scale solar tunnel dryer (STD). Drying of spinach is carried out to analyze the performance of the dryer and to study its drying characteristics. To evaluate the performance of dryer the independent variables were selected as air flow rate, loading density and shade net while collector efficiency, drying efficiency, overall efficiency and specific energy consumption were selected as responses during performing the experiments. The spinach was dried from initial moisture content 88.21-94.04% (w.b.) to final moisture content 3.50-5.13% (w.b.). The drying time considerably reduced as compared to open sun drying of spinach as sun drying took 15 h for drying. The average collector efficiency, drying efficiency and overall efficiency were in the range 28.73-61.15%, 11.63% to 22.13%, and 7.61-14.66%, respectively.

Keywords: Solar dryer, collector efficiency, drying efficiency, spinach.

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Authors: Attila Balogh, Eszter Varga, István Varjasi

Abstract:

Nowadays there are several grid connected converter in the grid system. These grid connected converters are generally the converters of renewable energy sources, industrial four quadrant drives and other converters with DC link. These converters are connected to the grid through a three phase bridge. The standards prescribe the maximal harmonic emission which could be easily limited with high switching frequency. The increased switching losses can be reduced to the half with the utilization of the wellknown Flat-top modulation. The suggested control method is the expansion of the Flat-top modulation with which the losses could be also reduced to the half compared to the Flat-top modulation. Comparing to traditional control these requirements can be simultaneously satisfied much better with the DLF (DC Link Floating) method.

Keywords: DC link floating, high efficiency, PV converter, control method.

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Authors: Richard E. Miller

Abstract:

12.7-mm thick plates of 6061-T6511 aluminum alloy and high hardness steel (528 HV) were successfully joined by a friction stir bonding process using a tungsten-rhenium stir tool. Process parameter variation experiments, which included tool design geometry, plunge and traverse rates, tool offset, spindle tilt, and rotation speed, were conducted to develop a parameter set which yielded a defect free joint. Laboratory tensile tests exhibited yield stresses which exceed the strengths of comparable AA6061-to-AA6061 fusion and friction stir weld joints. Scanning electron microscopy and energy dispersive X-ray spectroscopy analysis also show atomic diffusion at the material interface region.

Keywords: Dissimilar materials, friction stir, welding.

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Authors: Djarot B. Darmadi, John Norrish, Anh Kiet Tieu

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Solutions for the temperature profile around a moving heat source are obtained using both analytic and finite element (FEM) methods. Analytic and FEM solutions are applied to study the temperature profile in welding. A moving heat source is represented using both point heat source and uniform distributed disc heat source models. Analytic solutions are obtained by solving the partial differential equation for energy conservation in a solid, and FEM results are provided by simulating welding using the ANSYS software. Comparison is made for quasi steady state conditions. The results provided by the analytic solutions are in good agreement with results obtained by FEM.

Keywords: Analytic solution, FEM, Temperature profile, HeatSource Model

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Authors: Bin Su

Abstract:

Auckland has a temperate climate with comfortable warm, dry summers and mild, wet winters. An Auckland school normally does not need air conditioning for cooling during the summer and only needs heating during the winter. The Auckland school building thermal design should more focus on winter thermal performance and indoor thermal comfort for energy efficiency. This field study of testing indoor and outdoor air temperatures, relative humidity and indoor surface temperatures of three classrooms with different envelopes were carried out in the Avondale College during the winter months in 2013. According to the field study data, this study is to compare and evaluate winter thermal performance and indoor thermal conditions of school buildings with different envelopes.

Keywords: Building envelope, Building mass effect, Building thermal comfort, Building thermal performance, School building.

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Authors: Farid Saeidi, Serkan Dag

Abstract:

In this study, fracture analysis of a fibrous composite laminate with variable fiber spacing is carried out using Jk-integral method. The laminate is assumed to be under thermal loading. Jk-integral is formulated by using the constitutive relations of plane orthotropic thermoelasticity. Developed domain independent form of the Jk-integral is then integrated into the general purpose finite element analysis software ANSYS. Numerical results are generated so as to assess the influence of variable fiber spacing on mode I and II stress intensity factors, energy release rate, and T-stress. For verification, some of the results are compared to those obtained using displacement correlation technique (DCT).

Keywords: Jk-integral, variable fiber spacing, thermoelasticity, t-stress, finite element method, fibrous composite.

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Authors: A. Boualouch, A. Essadki, T. Nasser, A. Boukhriss, A. Frigui

Abstract:

This paper presents a power control for a Doubly Fed Induction Generator (DFIG) using in Wind Energy Conversion System (WECS) connected to the grid. The proposed control strategy employs two nonlinear controllers, Backstipping (BSC) and slidingmode controller (SMC) scheme to directly calculate the required rotor control voltage so as to eliminate the instantaneous errors of active and reactive powers. In this paper the advantages of BSC and SMC are presented, the performance and robustness of this two controller’s strategy are compared between them. First, we present a model of wind turbine and DFIG machine, then a synthesis of the controllers and their application in the DFIG power control. Simulation results on a 1.5MW grid-connected DFIG system are provided by MATLAB/Simulink.

Keywords: Backstipping, DFIG, power control, sliding-mode, WESC.

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Authors: Fahanim Abdul Rashid, Muhammad Azzam Ismail

Abstract:

Part and parcel of building green homes (GHs) with favorable thermal comfort (TC) is to design and build with reduced carbon footprint (CF) from embodied energy in the building envelope and reduced operational CF overall. Together, the environmental impact of GHs can be reduced significantly. Nevertheless, there is still a need to identify the base CF value for Malaysian GHs and this can be done by assessing existing ones which can then be compared to conventional and vernacular houses which are built differently with different building materials. This paper underlines the research design and introduces the case studies. For now, the operational CF of the case studies is beyond the scope of this study. Findings from this research could identify the best building material and construction technique combination to build GHs depending on the available skills, financial constraints and the condition of the immediate environment.

Keywords: Embodied carbon footprint, Malaysian green homes.

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Authors: Inna R. Edara, Haw-Lin Wu

Abstract:

Positive psychology investigates human strengths and virtues and promotes well-being. Relying on this assumption, positive interventions have been continuously designed to build pleasure and happiness, joy and contentment, engagement and meaning, hope and optimism, satisfaction and gratitude, spirituality, and various other positive measures of well-being. In line with this model of positive psychology and interventions, this study investigated certain measures of well-being in a group of 45 students enrolled in an 18-week positive psychology course and simultaneously engaged in service-oriented interventions that they chose for themselves based on the course content and individual interests. Students’ well-being was measured at the beginning and end of the course. The well-being indicators included positive automatic thoughts, optimism and hope, satisfaction with life, and spirituality. A paired-samples t-test conducted to evaluate the impact of class content and service-oriented interventions on students’ scores of well-being indicators indicated statistically significant increase from pre-class to post-class scores. There were also significant gender differences in post-course well-being scores, with females having higher levels of well-being than males. A two-way between groups analysis of variance indicated a significant interaction effect of age by gender on the post-course well-being scores, with females in the age group of 56-65 having the highest scores of well-being in comparison to the males in the same age group. Regression analyses indicated that positive automatic thought significantly predicted hope and satisfaction with life in the pre-course analysis. In the post-course regression analysis, spiritual transcendence made a significant contribution to optimism, and positive automatic thought made a significant contribution to both hope and satisfaction with life. Finally, a significant test between pre-course and post-course regression coefficients indicated that the regression coefficients at pre-course were significantly different from post-course coefficients, suggesting that the positive psychology course and the interventions were helpful in raising the levels of well-being. The overall results suggest a substantial increase in the participants’ well-being scores after engaging in the positive-oriented interventions, implying a need for designing more positive interventions in education to promote well-being.  

Keywords: Hope, optimism, positive automatic thoughts, satisfaction with life, spirituality, well-being.

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Authors: Rakmi Abd.-Rahman, Nurina Anuar

Abstract:

Removal of PCP by a system combining biodegradation by biofilm and adsorption was investigated here. Three studies were conducted employing batch tests, sequencing batch reactor (SBR) and continuous biofilm activated carbon column reactor (BACCOR). The combination of biofilm-GAC batch process removed about 30% more PCP than GAC adsorption alone. For the SBR processes, both the suspended and attached biomass could remove more than 90% of the PCP after acclimatisation. BACCOR was able to remove more than 98% of PCP-Na at concentrations ranging from 10 to 100 mg/L, at empty bed contact time (EBCT) ranging from 0.75 to 4 hours. Pure and mixed cultures from BACCOR were tested for use of PCP as sole carbon and energy source under aerobic conditions. The isolates were able to degrade up to 42% of PCP under aerobic conditions in pure cultures. However, mixed cultures were found able to degrade more than 99% PCP indicating interdependence of species.

Keywords: Adsorption, biodegradation, identification, isolated bacteria, pentachlorophenol.

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Authors: Jobin Varghese, V. M. Akhil, P. K. Rajendrakumar, K. S. Sivanandan

Abstract:

The major contributor to the human locomotion is the knee flexion and extension. During heel strike, a huge amount of energy is transmitted through the leg towards knee joint, which in fact is damped at heel and leg muscles. During high shocks, although it is damped to a certain extent, the balance force transmits towards knee joint which could damage the knee. Due to the vital function of the knee joint, it should be protected against damage due to additional load acting on it. This work concentrates on the development of spring mass damper system which exactly replicates the stiffness at the heel and muscles and the objective function is optimized to minimize the force acting at the knee joint. Further, the data collected using force plate are put into the model to verify its integrity and are found to be in good agreement.

Keywords: Spring, mass, damper, impact, knee joint.

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Authors: R.M.V. Silva, D.N. Souza

Abstract:

This paper presents a model for the characterization and selection of beeswaxes for use as base substitute tissue for the manufacture of objects suitable for external radiotherapy using megavoltage photon beams. The model of characterization was divided into three distinct stages: 1) verification of aspects related to the origin of the beeswax, the bee species, the flora in the vicinity of the beehives and procedures to detect adulterations; 2) evaluation of physical and chemical properties; and 3) evaluation of beam attenuation capacity. The chemical composition of the beeswax evaluated in this study was similar to other simulators commonly used in radiotherapy. The behavior of the mass attenuation coefficient in the radiotherapy energy range was comparable to other simulators. The proposed model is efficient and enables convenient assessment of the use of any particular beeswax as a base substitute tissue for radiotherapy.

Keywords: Beeswaxes, characterization, model, radiotherapy

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Authors: Taufik Taufik, Tadeus Gunawan, Dale Dolan, Makbul Anwari

Abstract:

Multiphasing of dc-dc converters has been known to give technical and economical benefits to low voltage high power buck regulator modules. A major advantage of multiphasing dc-dc converters is the improvement of input and output performances in the buck converter. From this aspect, a potential use would be in renewable energy where power quality plays an important factor. This paper presents the design of a 2-phase 200W boost converter for battery charging application. Analysis of results from hardware measurement of the boost converter demonstrates the benefits of using multiphase. Results from the hardware prototype of the 2-phase boost converter further show the potential extension of multiphase beyond its commonly used low voltage high current domains.

Keywords: Multiphase, boost converter, power electronics.

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Authors: A. Ourici

Abstract:

Rapid progress in process automation and tightening quality standards result in a growing demand being placed on fault detection and diagnostics methods to provide both speed and reliability of motor quality testing. Doubly fed induction generators are used mainly for wind energy conversion in MW power plants. This paper presents a detection of an inter turn stator and an open phase faults, in a doubly fed induction machine whose stator and rotor are supplied by two pulse width modulation (PWM) inverters. The method used in this article to detect these faults, is based on Park-s Vector Approach, using a neural network.

Keywords: Doubly fed induction machine, inter turn stator fault, neural network, open phase fault, Park's vector approach, PWMinverter.

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Authors: Salem Ali Jebreil

Abstract:

In this work, a polyaniline/Iron oxide (PANI/Fe2O3) composite was chemically prepared by oxidative polymerization of aniline in acid medium, in presence of ammonium persulphate as an oxidant and amount of Fe2O3. The composite was characterized by a scanning electron microscopy (SEM). The prepared composite has been used as adsorbent to remove Tartrazine dye form aqueous solutions. The effects of initial dye concentration and temperature on the adsorption capacity of PANI/Fe2O3 for Tartrazine dye have been studied in this paper. The Langmuir and Freundlich adsorption models have been used for the mathematical description of adsorption equilibrium data. The best fit is obtained using the Freundlich isotherm with an R2 value of 0.998. The change of Gibbs energy, enthalpy, and entropy of adsorption has been also evaluated for the adsorption of Tartrazine onto PANI/ Fe2O3. It has been proved according the results that the adsorption process is endothermic in nature.

Keywords: Adsorption, Composite, dye, Polyaniline, Tartrazine.

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Authors: D. Zare, F. Salmanizade, H. Safiyari

Abstract:

Physical and mechanical properties of Russian olive fruits were measured at moisture content of 14.43% w.b. The results revealed that the mean length, width and thickness of Russian olive fruits were 20.72, 15.73 and 14.69mm, respectively. Mean mass and volume of Russian olive fruits were measured as 1.45 g and 2.55 cm3, respectively. The sphericity, aspect ratio and surface area were calculated as 0.81, 0.72 and 8.96 cm2, respectively, while arithmetic mean diameter, geometric mean diameter and equivalent diameter of Russian olive fruits were 17.05, 16.83 and 16.84 mm, respectively. Whole fruit density, bulk density and porosity of jujube fruits were measured and found to be 1.01 g/cm3, 0.29 g/cm3 and 69.5%, respectively. The values of static coefficient of friction on three surfaces of glass, galvanized iron and plywood were 0.35, 0.36 and 0.43, respectively. The skin color (L*, a*, b*) varied from 9.92 to 16.08; 2.04 to 3.91 and 1.12 to 3.83, respectively. The values of rupture force, deformation, energy absorbed and hardness were found to be between 12.14-16.85 N, 2.16-4.25 mm, 3.42-6.99 N mm and 17.1-23.85 N/mm.

Keywords: Mechanical and Physical properties, Russian olive fruits, friction coefficient

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Authors: Prem Singh, Jagdeep Singh

Abstract:

In an attempt to investigate the performance of single basin solar still for climate conditions of Ludhiana a single basin solar still was designed, fabricated and tested. The energy balance equations for various parts of the still are solved by Gauss-Seidel iteration method. Computer model was made and experimentally validated. The validated computer model was used to estimate the annual distillation yield and performance ratio of the still for Ludhiana. The Theoretical and experimental distillation yield were 4318.79 ml and 3850 ml respectively for the typical day. The predicted distillation yield was 12.5% higher than the experimental yield. The annual distillation yield per square metre aperture area and annual performance ratio for single basin solar still is 1095 litres and 0.43 respectively. The payback period for micro-stepped solar still is 2.5 years.

Keywords: Solar distillation, solar still, single basin, still.

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Authors: Asfar Ali Khan, Ekram Husain

Abstract:

Modern Society is strongly dependent on a reliable power supply. The availability of cheap and reliable supply of electrical energy is an indicator of societal welfare. Uninterrupted reliable operation of a modern power system depends to a great extent on reliable and satisfactory performance of insulators under different environmental conditions. This paper reports result of natural pollution tests that have been done at sites around city of Aligarh (India). Flashover voltage per insulation distance (FOVUID) of porcelain disc insulator for different pH values, ESDD has been recorded for proper correlation between electrical and chemical parameters. The pH of the contaminants has been suggested to be an effective pollution severity indicator and may be used as a diagnostic parameter for proper maintenance of porcelain insulators.

Keywords: Porcelain insulators, Flashover Voltage, pH value, Conductivity, ESDD.

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Authors: M. A. Islam, P. J. Hazell, J. P. Escobedo, M. Saadatfar

Abstract:

Metallic foams have good potential for lightweight structures for impact and blast mitigation. Therefore it is important to find out the optimized foam structure (i.e. cell size, shape, relative density, and distribution) to maximise energy absorption. In this paper, quasistatic compression and microstructural characterization of closed-cell aluminium foams of different pore size and cell distributions have been carried out. We present results for two different aluminium metal foams of density 0.49-0.51 g/cc and 0.31- 0.34 g/cc respectively that have been tested in quasi-static compression. The influence of cell geometry and cell topology on quasistatic compression behaviour has been investigated using optical microscope and computed tomography (micro-CT) analysis. It is shown that the deformation is not uniform in the structure and collapse begins at the weakest point.

Keywords: Metal foams, micro-CT, cell topology, quasistatic compression.

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Authors: I. Siti Rabiatull Aisha, A. Ourdjini, O. Saliza Azlina

Abstract:

The aim of this paper is to study the effectiveness of bismuth addition in the solder alloy to retard the intermetallic compound formation and growth. In this study, three categories of solders such as Sn-4Ag-xCu (x = 0.5, 0.7, 1.0) and Sn-4Ag-0.5Cu-xBi (x = 0.1, 0.2, 0.4) were used. Ni/Au surface finish substrates were dipped into the molten solder at a temperature of 180-190 ^oC and allowed to cool at room temperature. The intermetallic compound (IMCs) were subjected to the characterization in terms of composition and morphology. The IMC phases were identified by energy dispersive x-ray (EDX), whereas the optical microscope and scanning electron microscopy (SEM) were used to observe microstructure evolution of the solder joint. The results clearly showed that copper concentration dependency was high during the reflow stage. Besides, only Ni₃Sn₄ and Ni₃Sn₂ were detected for all copper concentrations. The addition of Bi was found to have no significant effect on the type of IMCs formed, but yet the grain became further refined.

Keywords: Bismuth addition, intermetallic compound, composition, morphology.

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Authors: Shyh-Ming Chern, H. Y. Cheng

Abstract:

Biomass is renewable and sustainable. As an energy source, it will not release extra carbon dioxide into the atmosphere. Hence, tremendous efforts have been made to develop technologies capable of transforming biomass into suitable forms of bio-fuel. One of the viable technologies is gasifying biomass in supercritical water (SCW), a green medium for reactions. While previous studies overwhelmingly selected glucose as a model compound for biomass, the present study adopted fructose for the sake of comparison. The gasification of fructose in SCW was investigated experimentally to evaluate the applicability of supercritical water processes to biomass gasification. Experiments were conducted with an autoclave reactor. Gaseous product mainly consists of H₂, CO, CO₂, CH₄ and C₂H₆. The effect of two major operating parameters, the reaction temperature (673-873 K) and the dosage of oxidizing agent (0-0.5 stoichiometric oxygen), on the product gas composition, yield and heating value was also examined, with the reaction pressure fixed at 25 MPa.

Keywords: Biomass, Fructose, Gasification, Supercritical water.

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Authors: Ying Wang

Abstract:

From the perspective of industrial structure coordination and based on an explicit definition for the connotation of industrial structure coordination, the synergetic coefficients are used to measure the coordination degree between three industries' input structure and output structure, and then the efficacy function method is employed to comprehensively evaluate the level of China-s industrial structure optimization. It is showed that Chinese industrial structure presented a "v-shaped" variation tendency between 1996 and 2008, and its industrial structure adjustment got obvious achievements after 2003, with the industrial structure optimization level increasing continuously. However in 2009, the level of China-s industrial structure optimization declined sharply due to the decreasing contribution degree of value added structure and energy structure coordination and the lower coordination degree of value added structure and capital structure.

Keywords: China's industrial structure, Coordination degree, Efficacy function, Synergetic coefficients

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Authors: Salem El-tohami Ashoor

Abstract:

Here, we have shown the reaction of [Cr(ArN(CH2)3NAr)2Cl2] (1) where (Ar = 2,6-Pri 2C6H3) and in presence of NaCp (2) (Cp= C5H5 = cyclopentadien), with a center coordination η5 interaction between Cp as co-ligand and chromium metal center, for optimization we used density functional theory (DFT), under methods, explicitly including electrons correlations, for the final calculations as MB3LYP (Becke) (Lee–Yang–Parr) level of theory we used to obtain more exact results. This complex was calculated as electronic energy for molecular system, because the calculation accounting all electrons correlations interactions. The optimised of [Cr(ArN(CH2)3NAr)2(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp = C5H5) was found to be thermally stable. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Chromium (III) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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