Search results for: structural functionalism

Authors: Abdusalam Gsiea, Ramadan Al-habashi, Mohamed Atumi, Khaled Atmimi

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We present a theoretical investigation on the structural, electronic properties and vibrational mode of nitrogen impurities in ZnO. The atomic structures, formation and transition energies and vibrational modes of (NO3)i interstitial or NO4 substituting on an oxygen site ZnO were computed using ab initio total energy methods. Based on Local density functional theory, our calculations are in agreement with one interpretation of bound-excition photoluminescence for N-doped ZnO. First-principles calculations show that (NO3)i defects interstitial or NO4 substituting on an Oxygen site in ZnO are important suitable impurity for p-type doping in ZnO. However, many experimental efforts have not resulted in reproducible p-type material with N2 and N2O doping. by means of first-principle pseudo-potential calculation we find that the use of NO or NO2 with O gas might help the experimental research to resolve the challenge of achieving p-type ZnO.

Keywords: Density functional theory, nitrogen, p-type, ZnO.

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Authors: M. Barański

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This article presents a vibration diagnostic method designed for Permanent Magnets (PM) electrical machines–traction motors and generators. Those machines are commonly used in traction drives of electrical vehicles and small wind or water systems. The described method is very innovative and unique. Specific structural properties of machines excited by permanent magnets are used in this method - electromotive force (EMF) generated due to vibrations. There was analyzed number of publications, which describe vibration diagnostic methods, and tests of electrical machines and there was no method found to determine the technical condition of such machine basing on their own signals. This work presents field-circuit model, results of static tests, results of calculations and simulations.

Keywords: Electrical vehicle, permanent magnet, traction drive, vibrations, electrical machine, eccentricity, diagnostics, data acquisition, data analysis.

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Authors: Paul Dallyn, Ashraf El-Hamalawi, Alessandro Palmeri, Bob Knight

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In order to better understand the long term implications of the grout wear failure mode in large-diameter plainsided grouted connections, a numerical model has been developed and calibrated that can take advantage of existing operational plant data to predict the wear accumulation for the actual load conditions experienced over a given period, thus limiting the requirement for expensive monitoring systems. This model has been derived and calibrated based on site structural condition monitoring (SCM) data and supervisory control and data acquisition systems (SCADA) data for two operational wind turbine generator substructures afflicted with this challenge, along with experimentally derived wear rates.

Keywords: Grouted Connection, Numerical Model, Offshore Structure, Wear, Wind Energy.

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Authors: J. García-Pérez

Abstract:

An approach to compute optimum seismic design parameters is presented. It is based on the optimization of the expected present value of the total cost, which includes the initial cost of structures as well as the cost due to earthquakes. Different types of seismicity models are considered, including one for characteristic earthquakes. Uncertainties are included in some variables to observe the influence on optimum values. Optimum seismic design coefficients are computed for three different structural types representing high, medium and low rise buildings, located near and far from the seismic sources. Ordinary and important structures are considered in the analysis. The results of optimum values show an important influence of seismicity models as well as of uncertainties on the variables.

Keywords: Importance factors, optimum parameters, seismic losses, seismic risk, total cost.

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Authors: Parvinder S. Sandhu, Harpreet Kaur, Amanpreet Singh

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Automatic reusability appraisal is helpful in evaluating the quality of developed or developing reusable software components and in identification of reusable components from existing legacy systems; that can save cost of developing the software from scratch. But the issue of how to identify reusable components from existing systems has remained relatively unexplored. In this research work, structural attributes of software components are explored using software metrics and quality of the software is inferred by different Neural Network based approaches, taking the metric values as input. The calculated reusability value enables to identify a good quality code automatically. It is found that the reusability value determined is close to the manual analysis used to be performed by the programmers or repository managers. So, the developed system can be used to enhance the productivity and quality of software development.

Keywords: Neural Network, Software Reusability, Software Metric, Accuracy, MAE, RMSE.

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Authors: I. Paeglite, A. Paeglitis

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Paper presents a study about dynamic effects obtained from the dynamic load testing of the city highway bridges in Latvia carried out from 2005 to 2012. 9 prestressed concrete bridges and 4 composite bridges were considered. 11 of 13 bridges were designed according to the Eurocodes but two according to the previous structural codes used in Latvia (SNIP 2.05.03-84). The dynamic properties of the bridges were obtained by heavy vehicle passing the bridge roadway with different driving speeds and with or without even pavement. The obtained values of the Dynamic amplification factor (DAF) and the bridge natural frequency were analyzed and compared to the values of built-in traffic load models provided in Eurocode 1. The actual DAF values for even bridge pavement in the most cases are smaller than the value adopted in Eurocode 1. Vehicle speed for uneven pavements significantly influence Dynamic amplification factor values.

Keywords: Bridge, dynamic effects, load testing, dynamic amplification factor.

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Authors: Yassir M. Abbas, Mohammad Iqbal Khan, Galal Fares

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In the present work, the structural responses of 12 ultra-high-performance concrete (UHPC) beams to four-point loading conditions were experimentally and analytically studied. The inclusion of a fibrous system in the UHPC material increased its compressive and flexural strengths by 31.5% and 237.8%, respectively. Based on the analysis of the load-deflection curves of UHPC beams, it was found that UHPC beams with a low reinforcement ratio are prone to sudden brittle failure. This failure behavior was changed, however, to a ductile one in beams with medium to high ratios. The implication is that improving UHPC beam tensile reinforcement could result in a higher level of safety. More reinforcement bars also enabled the load-deflection behavior to be improved, particularly after yielding.

Keywords: Ultra-high-performance concrete, moment capacity, RC beams, hybrid fiber, ductility.

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Authors: Jun-Oh Kim, Seol-Min Yang, Seok-Heum Baek, Sangmo Kang

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In this paper, the shape design process is briefly discussed emphasizing the use of topology optimization in the conceptual design stage. The basic idea is to view feasible domains for sensitivity region concepts. In this method, the main process consists of two steps: as the design moves further inside the feasible domain using Taguchi method, and thus becoming more successful topology optimization, the sensitivity region becomes larger. In designing a double-eccentric butterfly valve, related to hydrodynamic performance and disc structure, are discussed where the use of topology optimization has proven to dramatically improve an existing design and significantly decrease the development time of a shape design. Computational Fluid Dynamics (CFD) analysis results demonstrate the validity of this approach.

Keywords: Double-eccentric butterfly valve, CFD, Topology optimization

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Authors: R. Monib, C. I. Goodier, A. Gibb

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This paper aims to investigate decision support strategies in the EC sector to determine the most appropriate degree of modularization. This is achieved through three oil and gas (O&G) and two power plant case studies via semi-structured interviews (n = 59 and n = 27, respectively), analysis of project documents, and case study-specific semi-structured validation interviews (n = 12 and n = 8). Terminology to distinguish degrees of modularization is proposed, along with a decision-making support checklist and a diagrammatic decision-making support figure. Results indicate that the EC sub-sectors were substantially more satisfied with the application of component, structural, or traditional modularization compared with system modularization for some types of modules. Key drivers for decisions on the degree of modularization vary across module types. This paper can help the EC sector determine the most suitable degree of modularization via a decision-making support strategy.

Keywords: Modularization, engineering construction, case study, decision support.

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Authors: Vadims Goremikins, Karlis Rocens, Dmitrijs Serdjuks

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A suspension bridge is the most suitable type of structure for a long-span bridge due to rational use of structural materials. Increased deformability, which is conditioned by appearance of the elastic and kinematic displacements, is the major disadvantage of suspension bridges. The problem of increased kinematic displacements under the action of non-symmetrical load can be solved by prestressing. The prestressed suspension bridge with the span of 200 m was considered as an object of investigations. The cable truss with the cross web was considered as the main load carrying structure of the prestressed suspension bridge. The considered cable truss was optimized by 47 variable factors using Genetic algorithm and FEM program ANSYS. It was stated, that the maximum total displacements are reduced up to 29.9% by using of the cable truss with the rational characteristics instead of the single cable in the case of the worst situated load.

Keywords: Decreasing displacements, Genetic algorithm.

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Authors: Bilge S. Oduncu, Sevil Yucel, Ismail Aydin, Isil D. Sener, Gokhan Yamaner

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The dental composites are preferably used as filling materials due to their esthetic appearances. Nevertheless one of the major problems, during the application of the dental composites, is shape change named as “polymerisation shrinkage" affecting clinical success of the dental restoration while photo-polymerisation. Polymerisation shrinkage of composites arises basically from the formation of a polymer due to the monomer transformation which composes of an organic matrix phase. It was sought, throughout this study, to detect and evaluate the structural polymerisation shrinkage of prepared dental composites in order to optimize the effects of various fillers included in hydroxyapatite (HA)-reinforced dental composites and hence to find a means to modify the properties of these dental composites prepared with defined parameters. As a result, the shrinkage values of the experimental dental composites were decreased by increasing the filler content of composites and the composition of different fillers used had effect on the shrinkage of the prepared composite systems.

Keywords: Dental composites, hydroxyapatite (HA), BisGMA, shrinkage.

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Authors: Yogesh D. Bansod, Jiri Bursa

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The quantitative study of cell mechanics is of paramount interest, since it regulates the behaviour of the living cells in response to the myriad of extracellular and intracellular mechanical stimuli. The novel experimental techniques together with robust computational approaches have given rise to new theories and models, which describe cell mechanics as combination of biomechanical and biochemical processes. This review paper encapsulates the existing continuum-based computational approaches that have been developed for interpreting the mechanical responses of living cells under different loading and boundary conditions. The salient features and drawbacks of each model are discussed from both structural and biological points of view. This discussion can contribute to the development of even more precise and realistic computational models of cell mechanics based on continuum approaches or on their combination with microstructural approaches, which in turn may provide a better understanding of mechanotransduction in living cells.

Keywords: Cell mechanics, computational models, continuum approach, mechanical models.

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Authors: Zhi Sheng Lin, K. C. G. Ong, Lado Riannevo Chandra, Bee Hong Angeline Tan, Chat Tim Tam, Sze Dai Pang

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Design for Disassembly (DfD) aims to reuse the structural components instead of demolition followed by recycling of the demolition debris. This concept preserves the invested embodied energy of materials, thus reducing inputs of new embodied energy during materials reprocessing or remanufacturing. Both analytical and experimental research on a proposed DfD beam-column connection for use in residential apartments is currently investigated at the National University of Singapore in collaboration with the Housing and Development Board of Singapore. The present study reports on the results of a numerical analysis of the proposed connection utilizing finite element analysis. The numerical model was calibrated and validated by comparison against experimental results. Results of a parametric study will also be presented and discussed.

Keywords: Design for Disassembly (DfD), finite element analysis, parametric study.

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Authors: K. Sowri Babu, P. Srinath, N. Rajeswara Rao, K. Venugopal Reddy

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The effect of gamma ray irradiation on morphology and optical properties of ZnO/Mesoporous silica (MPS) nanocomposite was studied. The ZnO/MPS nanocomposite was irradiated with gamma rays of doses 30, 60, and 90 kGy and dose-rate of irradiation was 0.15 kGy/hour. Irradiated samples are characterized with FE-SEM, FT-IR, UV-vis, and Photoluminescence (PL) spectrometers. SEM pictures showed that morphology changed from spherical to flake like morphology. UV-vis analysis showed that the band gap increased with increase of gamma ray irradiation dose. This enhancement of the band gap is assigned to the depletion of oxygen vacancies with irradiation. The intensity of PL peak decreased gradually with increase of gamma ray irradiation dose. The decrease in PL intensity is attributed to the decrease of oxygen vacancies at the interface due to poor interface and improper passivation between ZnO/MPS.

Keywords: ZnO nanoparticles, photoluminescence, porous silicon, nanocomposites.

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Authors: P. Chockalingam, C. K. Kok, T. R. Vijayaram

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Glass fiber reinforced polymer (GFRP) laminates have been widely used because of their unique mechanical and physical properties such as high specific strength, stiffness and corrosive resistance. Accordingly, the demand for precise grinding of composites has been increasing enormously. Grinding is the one of the obligatory methods for fabricating products with composite materials and it is usually the final operation in the assembly of structural laminates. In this experimental study, an attempt has been made to develop an empirical model to predict the surface roughness of ground GFRP composite laminate with respect to the influencing grinding parameters by factorial design approach of design of experiments (DOE). The significance of grinding parameters and their three factor interaction effects on grinding of GFRP composite have been analyzed in detail. An empirical equation has been developed to attain minimum surface roughness in GFRP laminate grinding.

Keywords: GFRP Laminates, Grinding, Surface Roughness, Factorial Design.

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Authors: Aaron Aboshio

Abstract:

Numerical study of the static response of homogeneous clay stratum considering a wide range of cohesion and subject to foundation loads is presented. The linear elastic–perfectly plastic constitutive relation with the von Mises yield criterion were utilised to develop a numerically cost effective finite element model for the soil while imposing a rigid body constrain to the foundation footing. From the analyses carried out, estimate of the bearing capacity factor, Nc as well as the ultimate load-carrying capacities of these soils, effect of cohesion on foundation settlements, stress fields and failure propagation were obtained. These are consistent with other findings in the literature and hence can be a useful guide in design of safe foundations in clay soils for buildings and other structure.

Keywords: Bearing capacity factors, finite element method, safe bearing pressure, structure-soil interaction.

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Authors: Helen Zhang

Abstract:

Accurate segmentation of the airways from CT scans is crucial for early diagnosis of lung cancer. However, the existing airway segmentation algorithms often rely on thin-slice CT scans, which can be inconvenient and costly. This paper presents a set of machine learning-based 3D super-resolution algorithms along heterogenous dimensions to improve the resolution of thicker CT scans to reduce the reliance on thin-slice scans. To evaluate the efficacy of the super-resolution algorithms, quantitative assessments using PSNR (Peak Signal to Noise Ratio) and SSIM (Structural SIMilarity index) were performed. The impact of super-resolution on airway segmentation accuracy is also studied. The proposed approach has the potential to make airway segmentation more accessible and affordable, thereby facilitating early diagnosis and treatment of lung cancer.

Keywords: 3D super-resolution, airway segmentation, thin-slice CT scans, machine learning.

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Authors: Khalil Shihab, Nida Al-Chalabi

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This article describes Uruk, the virtual museum of Iraq that we developed for visual exploration and retrieval of image collections. The system largely exploits the loosely-structured hierarchy of XML documents that provides a useful representation method to store semi-structured or unstructured data, which does not easily fit into existing database. The system offers users the capability to mine and manage the XML-based image collections through a web-based Graphical User Interface (GUI). Typically, at an interactive session with the system, the user can browse a visual structural summary of the XML database in order to select interesting elements. Using this intermediate result, queries combining structure and textual references can be composed and presented to the system. After query evaluation, the full set of answers is presented in a visual and structured way.

Keywords: Data-centric XML, graphical user interfaces, information retrieval, case-based reasoning, fuzzy sets

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Authors: A. H. Yehia, M. M. Rashwan, K. A. Assaf, K. Abd el Samee

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The aim of this work is to use an environmental, cheap; organic non-traditional admixture to improve the structural behavior of sustainable reinforced concrete beams contains different ratios of recycled concrete aggregate. The used admixture prepared by using wastes from vegetable oil industry. Under and over reinforced concrete beams made from natural aggregate and different ratios of recycled concrete aggregate were tested under static load until failure. Eight beams were tested to investigate the performance and mechanism effect of admixture on improving deformation characteristics, modulus of elasticity and toughness of tested beams. Test results show efficiency of organic admixture on improving flexural behavior of beams contains 20% recycled concrete aggregate more over the other ratios.

Keywords: Deflection, modulus of elasticity, non-traditional admixture, recycled concrete aggregate, strain, toughness, under and over reinforcement.

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Authors: S. Fawzia, T. Fatima

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The design of high-rise building is more often dictated by its serviceability rather than strength. Structural Engineers are always striving to overcome challenge of controlling lateral deflection and storey drifts as well as self weight of structure imposed on foundation. One of the most effective techniques is the use of outrigger and belt truss system in Composite structures that can astutely solve the above two issues in High-rise constructions. This paper investigates deflection control by effective utilisation of belt truss and outrigger system on a 60-storey composite building subjected to wind loads. A three dimensional Finite Element Analysis is performed with one, two and three outrigger levels. The reductions in lateral deflection are 34%, 42% and 51% respectively as compared to a model without any outrigger system. There is an appreciable decline in the storey drifts with the introduction of these stiffer arrangements.

Keywords: Composite building, belt truss, deflection, FE model, outrigger truss, 3D analysis.

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Authors: R. Ferdous

Abstract:

Power, responsibility sharing, and democratic decision-making are the central ethos to co-management. It is assumed that involving local community in the decision-making process can create a sense of ownership and responsibility of that community and motivate the community towards collective action. But this paper demonstrated that the process to involve local community is not simple and straightforward as it is influenced by structural aspects, power relations among the actors, and social embedded institutions. These factors shape the process in that way who will participate, how they will participate and how the local community maneuvers their agency in the decision-making process. To grasp the complexities that materialize in the process of participation and to understand the inclusionary and exclusionary nature of participation, this paper examines the subjective understanding of different stakeholders concerning participation and furthermore observes the enabling or constraining factors that affect the community to exercise their agency.

Keywords: Participation, social embeddedness, power, structure.

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Authors: S.C. Chin, N. Shafiq, M.F. Nuruddin

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In the modern construction practices, industrial wastes or by-products are largely used as raw materials in cement and concrete. These impart many benefits to the environment and bringabout an economic impact because the cost of waste disposal is constantly increasing due to strict environmental regulations. It was reported in literature that the leakage of oil onto concrete element in older cement grinding unit resulted in concrete with greater resistance to freezing and thawing. This effect was thought to be similar to adding an air-entraining chemical admixture to concrete. This paper presents an investigation on the load deflection behaviour and crack patterns of reinforced concrete (RC) beams subjected to four point loading. Ten 120x260x1900 mm beams were cast with 100% ordinary Portland cement (OPC) concrete, 20% fly ash (FA) and 20% rice husk ash (RHA) blended cement concrete. 0.15% dosage of admixtures (used engine oil, new engine oil, and superplasticizer) was used throughout the experiment. Results show that OPC and OPC/RHA RC beams containing used engine oil and superplasticizer exhibit higher capacity, 18-26% than their corresponding control mix.

Keywords: by-products, RC beams, superplasticizer, used engine oil

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Authors: Jackeline Kafie-Martinez, Peter B. Keating

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A three-dimensional finite element model is developed to capture the stress field generated in connected plates during the installation of hot-driven rivets. Clamping stress is generated when a steel rivet heated to approximately 1000 °C comes in contact with the material to be fastened at ambient temperature. As the rivet cools, thermal contraction subjects the rivet into tensile stress, while the material being fastened is subjected to compressive stress. Model characteristics and assumptions, as well as steel properties variation with respect to temperature are discussed. The thermal stresses developed around the rivet hole are assessed and reported. Results from the analysis are utilized to detect possible regions for fatigue crack propagation under cyclic loads.

Keywords: Jackeline Kafie-Martinez, Peter B. Keating.

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Authors: Wen-Chi Liu

Abstract:

This study applies the sequential panel selection method (SPSM) procedure proposed by Chortareas and Kapetanios (2009) to investigate the time-series properties of energy consumption in 50 US states from 1963 to 2009. SPSM involves the classification of the entire panel into a group of stationary series and a group of non-stationary series to identify how many and which series in the panel are stationary processes. Empirical results obtained through SPSM with the panel KSS unit root test developed by Ucar and Omay (2009) combined with a Fourier function indicate that energy consumption in all the 50 US states are stationary. The results of this study have important policy implications for the 50 US states.

Keywords: Energy Consumption, Panel Unit Root, Sequential Panel Selection Method, Fourier Function, US states.

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Authors: Viktória Sugár, Zoltán Laczó, András Horkai, Gyula Kiss, Attila Talamon

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The majority of the building stock of Budapest inner districts was built around the turn of the 19^th and 20^th century. Although the structural stability of the buildings is not questioned, as the load bearing structures are in sufficient state, the secondary structures are aged, resulting unsatisfactory energetic state. The renovation of these historical buildings requires special methodology and technology: their ornamented facades and custom-made fenestration cannot be insulated or exchanged with conventional solutions without damaging the heritage values. The present paper aims to introduce and systematize the possible technological solutions for heritage respecting energy retrofit in case of a historical residential building stock. Through case study, the possible energy saving potential is also calculated using multiple renovation scenarios.

Keywords: Energy efficiency, heritage, historical building, renovation, technical solutions.

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Authors: Sahba Sadir, M. R. A. Kadir, A. Öchsner, M. N. Harun

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Scaffolds play a key role in tissue engineering and can be produced in many different ways depending on the applications and the materials used. Most researchers used an experimental trialand- error approach into new biomaterials but computer simulation applied to tissue engineering can offer a more exhaustive approach to test and screen out biomaterials. This paper develops the model of scaffolds and Computational Fluid Dynamics that show the value of computer simulations in determining the influence of the geometrical scaffold parameter porosity, pore size and shape on the permeability of scaffolds, magnitude of velocity, drop pressure, shear stress distribution and level and the proper design of the geometry of the scaffold. This creates a need for more advanced studies that include aspects of dynamic conditions of a micro fluid passing through the scaffold were characterized for tissue engineering applications and differentiation of tissues within scaffolds.

Keywords: Scaffold engineering, Tissue engineering, Cellularstructure, Biomaterial, Computational fluid dynamics.

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Authors: Yeşim Tosun, Remzi Şahin

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This paper presents results of compressive strength, capillary water absorption, and density tests conducted on concrete containing recycled aggregate (RCA) which is obtained from structural waste generated by the construction industry in Turkey. In the experiments, 0%, 15%, 30%, 45% and 60% of the normal (natural) coarse aggregate was replaced by the recycled aggregate. Maximum aggregate particle sizes were selected as 16 mm, 22,4 mm and 31,5 mm; and 0,06%, 0,13% and 0,20% of air-entraining agent (AEA) were used in mixtures. Fly ash and superplasticizer were used as a mineral and chemical admixture, respectively. The same type (CEM I 42.5) and constant dosage of cement were used in the study. Water/cement ratio was kept constant as 0.53 for all mixture. It was concluded that capillary water absorption, compressive strength, and density of concrete decreased with increasing RCA ratio. Increasing in maximum aggregate particle size and amount of AEA also affect the properties of concrete significantly.

Keywords: Capillary water absorption, compressive strength, density, recycled concrete aggregates.

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Authors: Raja Kannusamy

Abstract:

The research focuses on the applicable technologies in the automobile industry and their effects on the productivity and annual revenue of the industry. A study has been conducted on six major automobile manufacturing industries represented in this research as M1, M2, M3, M4, M5 and M6. The results indicate that M1, which is a pioneer in technological applications, remains the market leader, followed by M5 and M2 taking the second and third positions, respectively. M3, M6 and M4 are the followers and are placed next in positions. It has also been observed that M1 and M2 have entered into an agreement to share the basic structural technologies and they maintain long-term and trusted relationships with their suppliers through the Keiretsu system. With technological giants such as Apple, Microsoft, Uber and Google entering the automobile industry in recent years, an upward trend is expected in the futuristic market with self-driving cars to dominate the automobile sector. To keep up with the market trend, it is essential for automobile manufacturers to understand the importance of developing technological capabilities and skills to be competitive in the marketplace.

Keywords: automobile manufacturing industries, competitiveness, performance improvement, technological applications

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Authors: Fauziah Sh. Ahmad, Rosmini Omar, Siti Zaleha Abdul Rasid, Muslim Amin

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The purpose of this paper is to examine the inter relationships among various leadership branding constructs of entrepreneurs in small and medium sized enterprises (SMEs). We employ a quantitative structural equation modeling through a new leadership branding engagement model comprises constructs of leader-s or entrepreneur-s personality, branding practice and customer engagement. The results confirm that there are significant relationships between the three constructs and the major fit indices indicate that the data fits the proposed model. The findings provide insights and fill in the literature gaps on statistically validated representation of leadership branding for SMEs across new economic regions of Malaysia that may implicate other economic zones with similar situations. This study extends the establishment of a leadership branding engagement model with a new mechanism of using leaders- personality as a predictor to branding practice and customer engagement performance.

Keywords: Leadership Branding, Malaysia Brands, Customer Engagement, SME Branding.

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Authors: A. Nusrath Unissa, Sameer Hassan, Luke Elizabeth Hanna

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Altered drug binding may be an important factor in isoniazid (INH) resistance, rather than major changes in the enzyme’s activity as a catalase or peroxidase (KatG). The identification of structural or functional defects in the mutant KatGs responsible for INH resistance remains as an area to be explored. In this connection, the differences in the binding affinity between wild-type (WT) and mutants of KatG were investigated, through the generation of three mutants of KatG, Ser315Thr [S315T], Ser315Asn [S315N], Ser315Arg [S315R] and a WT [S315]) with the help of software-MODELLER. The mutants were docked with INH using the software-GOLD. The affinity is lower for WT than mutant, suggesting the tight binding of INH with the mutant protein compared to WT type. These models provide the in silico evidence for the binding interaction of KatG with INH and implicate the basis for rationalization of INH resistance in naturally occurring KatG mutant strains of Mycobacterium tuberculosis.

Keywords: Mycobacterium tuberculosis, KatG, INH resistance, Mutants, Modeling, Docking.

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