Search results for: Density Dependent Nonlinear Reaction-Diffusion Equation

Authors: M. A. Adeboyejo, O. O. Adeosun

Abstract:

Pioneer networked systems assume that connections are reliable, and a faulty operation will be considered in case of losing a connection. Transient connections are typical of mobile devices. Areas of application of data sharing system such as these, lead to the conclusion that network connections may not always be reliable, and that the conventional approaches can be improved. Nigerian commercial banking industry is a critical system whose operation is increasingly becoming dependent on information technology (IT) driven information system. The proposed solution to this problem makes use of a hierarchically clustered network structure which we selected to reflect (as much as possible) the typical organizational structure of the Nigerian commercial banks. Representative transactions such as data updates and replication of the results of such updates were used to simulate the proposed model to show its applicability.

Keywords: Dependability, reliability, data redundancy.

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Authors: Frederick Wedzerai Nyakudya

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In this paper, we examine the relationship between human capital, personal wealth and social capital to explain the differences in start-up rates between female and male entrepreneurs. Since our dependent variable is dichotomous, we examine the determinants of these using a maximum likelihood logit estimator. We used the Global Entrepreneurship Monitor database covering the period 2006 to 2009 with 421 usable cases drawn from the Lower Layer Super Output Areas in East Midlands in the United Kingdom. We found evidence indicating that a female positively moderates the positive relationships between indicators of human capital and personal wealth with start-up activity. The findings have implications for programs, policies, and practices to encourage more females to engage in start-up activity.

Keywords: Entrepreneurship, Global Entrepreneurship Monitor, gender gap, women's entrepreneurship.

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Authors: Danping Lin, C.K.M. Lee

Abstract:

Re-entrant scheduling is an important search problem with many constraints in the flow shop. In the literature, a number of approaches have been investigated from exact methods to meta-heuristics. This paper presents a genetic algorithm that encodes the problem as multi-level chromosomes to reflect the dependent relationship of the re-entrant possibility and resource consumption. The novel encoding way conserves the intact information of the data and fastens the convergence to the near optimal solutions. To test the effectiveness of the method, it has been applied to the resource-constrained re-entrant flow shop scheduling problem. Computational results show that the proposed GA performs better than the simulated annealing algorithm in the measure of the makespan

Keywords: Resource-constrained, re-entrant, genetic algorithm (GA), multi-level encoding

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Authors: Z. Ishak, F.P Chew

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School experiences, family bonding and self-concept had always been a crucial factor in influencing all aspects of a student-s development. The purpose of this study is to develop and to validate a priori model of self-concept among students. The study was tested empirically using Structural Equation Modeling (SEM) and Confirmatory Factor Analysis (CFA) to validate the structural model. To address these concerns, 1167 students were randomly selected and utilized the Cognitive Psycho-Social University of Malaya instrument (2009).Resulted demonstrated there is indirect effect from family bonding to self-concept through school experiences among secondary school students as a mediator. Besides school experiences, there is a direct effect from family bonding to self-concept and family bonding to school experiences among students.

Keywords: Confirmatory Factor Analysis, self-concept, family bonding, and school experience

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Authors: Bhatti A., Nahavandi S., Hossny M.

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Current advancements in nanotechnology are dependent on the capabilities that can enable nano-scientists to extend their eyes and hands into the nano-world. For this purpose, a haptics (devices capable of recreating tactile or force sensations) based system for AFM (Atomic Force Microscope) is proposed. The system enables the nano-scientists to touch and feel the sample surfaces, viewed through AFM, in order to provide them with better understanding of the physical properties of the surface, such as roughness, stiffness and shape of molecular architecture. At this stage, the proposed work uses of ine images produced using AFM and perform image analysis to create virtual surfaces suitable for haptics force analysis. The research work is in the process of extension from of ine to online process where interaction will be done directly on the material surface for realistic analysis.

Keywords: Haptics, AFM, force feedback, image analysis.

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Authors: El-Ghalia Filali, Cherif Gadouche, Mohamed Tahar

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A three-dimensional numerical simulation of flow through mini and microchannels with designed roughness is conducted here. The effect of the roughness height (surface roughness), geometry, Reynolds number on the friction factor, and Nusselt number is investigated. The study is carried out by employing CFD software, CFX. Our work focuses on a water flow inside a circular mini-channel of 1 mm and microchannels of 500 and 100 m in diameter. The speed entry varies from 0.1 m/s to 20 m/s. The general trend can be observed that bigger sizes of roughness element lead to higher flow resistance. It is found that the friction factor increases in a nonlinear fashion with the increase in obstruction height. Particularly, the effect of roughness can no longer be ignored at relative roughness height higher than 3%. A significant increase in Poiseuille number is detected for all configurations considered. The same observation can be done for Nusselt number. The transition zone between laminar and turbulent flow depends on the channel diameter.

Keywords: Heat transfer, hydrodynamics, micro-channel, roughness.

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Authors: H. Assaedi, F. U. A. Shaikh, I. M. Low

Abstract:

Geopolymer composites reinforced with flax fabrics and nanoclay are fabricated and studied for physical and mechanical properties using X-Ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), and Scanning Electron Microscope (SEM). Nanoclay platelets at a weight of 1.0%, 2.0%, and 3.0% were added to geopolymer pastes. Nanoclay at 2.0 wt.% was found to improve density and decrease porosity while improving flexural strength and post-peak toughness. A microstructural analysis indicated that nanoclay behaves as filler and as an activator supporting geopolymeric reaction while producing a higher content geopolymer gel improving the microstructure of binders. The process enhances adhesion between the geopolymer matrix and flax fibres.

Keywords: Flax fibres, geopolymer, mechanical properties, nanoclay.

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Authors: Z. Fang, H.Y. Yu, W.J. Liu, N. Singh, G.Q. Lo

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High performance Resistive Random Access Memory (RRAM) based on HfOx has been prepared and its temperature instability has been investigated in this work. With increasing temperature, it is found that: leakage current at high resistance state increases, which can be explained by the higher density of traps inside dielectrics (related to trap-assistant tunneling), leading to a smaller On/Off ratio; set and reset voltages decrease, which may be attributed to the higher oxygen ion mobility, in addition to the reduced potential barrier to create / recover oxygen ions (or oxygen vacancies); temperature impact on the RRAM retention degradation is more serious than electrical bias.

Keywords: RRAM, resistive switching, temperature instability.

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Authors: K. K. Aggarwal, Yogesh Singh, Arvinder Kaur, Ruchika Malhotra

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Importance of software quality is increasing leading to development of new sophisticated techniques, which can be used in constructing models for predicting quality attributes. One such technique is Artificial Neural Network (ANN). This paper examined the application of ANN for software quality prediction using Object- Oriented (OO) metrics. Quality estimation includes estimating maintainability of software. The dependent variable in our study was maintenance effort. The independent variables were principal components of eight OO metrics. The results showed that the Mean Absolute Relative Error (MARE) was 0.265 of ANN model. Thus we found that ANN method was useful in constructing software quality model.

Keywords: Software quality, Measurement, Metrics, Artificial neural network, Coupling, Cohesion, Inheritance, Principal component analysis.

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Authors: J. B. V. Subrahmanyam, C. Radhakrishna

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This paper presents a simple three phase power flow method for solution of three-phase unbalanced radial distribution system (RDN) with voltage dependent loads. It solves a simple algebraic recursive expression of voltage magnitude, and all the data are stored in vector form. The algorithm uses basic principles of circuit theory and can be easily understood. Mutual coupling between the phases has been included in the mathematical model. The proposed algorithm has been tested with several unbalanced radial distribution networks and the results are presented in the article. 8- bus and IEEE 13 bus unbalanced radial distribution system results are in agreements with the literature and show that the proposed model is valid and reliable.

Keywords: radial distribution networks, load flow, circuitmodel, three-phase four-wire, unbalance.

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Authors: Martin Kendra, Jaroslav Mašek, Juraj Čamaj, Matej Babin

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The railway transport is considered as a one of the most environmentally friendly mode of transport. With future prediction of increasing of freight transport there are lines facing problems with demanded capacity. Increase of the track capacity could be achieved by infrastructure constructive adjustments. The contribution shows how the travel time can be minimized and the track capacity increased by changing some of the basic infrastructure and operation parameters, for example, the minimal curve radius of the track, the number of tracks, or the usable track length at stations. Calculation of the necessary parameter changes is based on the fundamental physical laws applied to the train movement, and calculation of the occupation time is dependent on the changes of controlling the traffic between the stations.

Keywords: Curve radius, maximum curve speed, track mass capacity, reconstruction.

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Authors: Vladimír Frišták, Martin Pipíška, Juraj Lesný

Abstract:

Alginite has been evaluated as an efficient pollution control material. In this paper, alginite from maar Pinciná (SR) for removal of Cd²⁺ ions from aqueous solution was studied. The potential sorbent was characterized by X-ray fluorescence analysis (RFA) analysis, Fourier transform infrared spectral analysis (FT-IR) and specific surface area (SSA) was also determined. The sorption process was optimized from the point of initial cadmium concentration effect and effect of pH value. The Freundlich and Langmuir models were used to interpret the sorption behavior of Cd²⁺ ions, and the results showed that experimental data were well fitted by the Langmuir equation. Alginite maximal sorption capacity (Q_max) for Cd²⁺ ions calculated from Langmuir isotherm was 34 mg/g. Sorption process was significantly affected by initial pH value in the range from 4.0-7.0. Alginite is a comparable sorbent with other materials for toxic metals removal. 

Keywords: Alginites, Cd2+, sorption, Qmax

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Authors: Cheng-En Tsai, Chung-Chun Hsiao, Fu-Yuan Chang, Liang-Lun Lan, Jia-Ying Tu

Abstract:

New design of three dimensional (3D) flywheel system based on gimbal and gyro mechanics is proposed. The 3D flywheel device utilizes the rotational motion of three spherical shells and the conservation of angular momentum to achieve planar locomotion. Actuators mounted to the ring-shape frames are installed within the system to drive the spherical shells to rotate, for the purpose of steering and stabilization. Similar to the design of 2D flywheel system, it is expected that the spherical shells may function like a “flyball” to store and supply mechanical energy; additionally, in comparison with typical single-wheel and spherical robots, the 3D flywheel can be used for developing omnidirectional robotic systems with better mobility. The Lagrangian method is applied to derive the equation of motion of the 3D flywheel system, and simulation studies are presented to verify the proposed design.

Keywords: Gimbal, spherical robot, gyroscope, Lagrangian formulation, flyball.

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Authors: Cheng-En Tsai, Chung-Chun Hsiao, Fu-Yuan Chang, Liang-Lun Lan, Jia-Ying Tu

Abstract:

New design of three dimensional (3D) flywheel system based on gimbal and gyro mechanics is proposed. The 3D flywheel device utilizes the rotational motion of three spherical shells and the conservation of angular momentum to achieve planar locomotion. Actuators mounted to the ring-shape frames are installed within the system to drive the spherical shells to rotate, for the purpose of steering and stabilization. Similar to the design of 2D flywheel system, it is expected that the spherical shells may function like a “flyball” to store and supply mechanical energy; additionally, in comparison with typical single-wheel and spherical robots, the 3D flywheel can be used for developing omnidirectional robotic systems with better mobility. The Lagrangian method is applied to derive the equation of motion of the 3D flywheel system, and simulation studies are presented to verify the proposed design.

Keywords: Gimbal, spherical robot, gyroscope, Lagrangian formulation, flyball.

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Authors: M. F. Yilmaz, B. Ö. Çağlayan

Abstract:

Fragility curve is an effective common used tool to determine the earthquake performance of structural and nonstructural components. Also, it is used to determine the nonlinear behavior of bridges. There are many historical bridges in the Turkish railway network; the earthquake performances of these bridges are needed to be investigated. To derive fragility curve Intensity measures (IMs) and Engineering demand parameters (EDP) are needed to be determined. And the relation between IMs and EDP are needed to be derived. In this study, a typical simply supported steel girder riveted railway bridge is studied. Fragility curves of this bridge are derived by two parameters lognormal distribution. Time history analyses are done for selected 60 real earthquake data to determine the relation between IMs and EDP. Moreover, efficiency, practicality, and sufficiency of three different IMs are discussed. PGA, Sa(0.2s) and Sa(1s), the most common used IMs parameters for fragility curve in the literature, are taken into consideration in terms of efficiency, practicality and sufficiency.

Keywords: Railway bridges, earthquake performance, fragility analyses, selection of intensity measures.

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Authors: Harish Ramesh Babu, Marco Böcker, Mario Raddatz, Sebastian Henkel, Horst Biermann, Uwe Gampe

Abstract:

Thermal power machines are subjected to cyclic loading conditions under elevated temperatures. At these extreme conditions, the durability of the components has a significant influence. The material mechanical behaviour has to be known in detail for a failsafe construction. For this study a nickel-based alloy is considered, the deformation and fatigue behaviour of the material is analysed under cyclic loading. A viscoplastic model is used for calculating the deformation behaviour as well as to simulate the rate-dependent and cyclic plasticity effects. Finally, the cyclic deformation results of the finite element simulations are compared with low cycle fatigue (LCF) experiments.

Keywords: Complex low cycle fatigue, elevated temperatures, IN718, viscoplastic.

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Authors: Ugwuanyi, Georgina Obinne, Ugwu, Joy Nonye

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This paper examines the effect of corporate diversification on the profitability of the Financial services sector in Nigeria. The study relied on historic accounting data generated from financial (annual) reports and accounts of sampled banks between the period 1998 and 2007 (a ten-year period). A regression equation was formulated, in line with previous studies to shed light on the effect of corporate diversification on the profitability of the Financial services sector in Nigeria. The results of the regression analysis revealed that diversification impacts strongly on banks profitability. Conclusively the paper produces strong evidence to assert that diversification impacts positively and significantly on banks profitability because among other things such diversified banks can pool their internally generated funds and allocate them properly.

Keywords: Diversification, firm size, operational efficiency, profitability

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Authors: Xin Luo, Jin Huang, Pan Cheng

Abstract:

By means of Sidi-Israeli’s quadrature rules, mechanical quadrature methods (MQMs) for solving the first kind boundary integral equations (BIEs) of steady state Stokes problem are presented. The convergence of numerical solutions by MQMs is proved based on Anselone’s collective compact and asymptotical compact theory, and the asymptotic expansions with the odd powers of the errors are provided, which implies that the accuracy of the approximations by MQMs possesses high accuracy order O (h3). Finally, the numerical examples show the efficiency of our methods.

Keywords: Stokes problem, boundary integral equation, mechanical quadrature methods, asymptotic expansions.

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Authors: Kyoung Hoon Kim

Abstract:

ORC (Organic Rankine Cycle) has potential of reducing consumption of fossil fuels and has many favorable characteristics to exploit low-temperature heat sources. In this work thermodynamic performance of ORC with regeneration is comparatively assessed for various working fluids. Special attention is paid to the effects of system parameters such as the turbine inlet pressure on the characteristics of the system such as net work production, heat input, volumetric flow rate per 1 MW of net work and quality of the working fluid at turbine exit as well as thermal efficiency. Results show that for a given source the thermal efficiency generally increases with increasing of the turbine inlet pressure however has optimal condition for working fluids of low critical pressure such as iso-pentane or n-pentane.

Keywords: low-grade energy source, organic Rankine cycle(ORC), regeneration, Patel-Teja equation.

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Authors: S. Limpattayanate, M. Hunsom

Abstract:

A comparison of activity and stability of the as-formed Pt/C, Pt-Co and Pt-Pd/C electrocatalysts, prepared by a combined approach of impregnation and seeding, was performed. According to the activity test in a single Proton Exchange Membrane (PEM) fuel cell, the Oxygen Reduction Reaction (ORR) activity of the Pt-M/C electrocatalyst was slightly lower than that of Pt/C. The j0.9 V and E10 mA/cm2 of the as-prepared electrocatalysts increased in the order of Pt/C > Pt-Co/C > Pt-Pd/C. However, in the medium-to-high current density region, Pt-Pd/C exhibited the best performance. With regard to their stability in a 0.5 M H2SO4 electrolyte solution, the electrochemical surface area decreased as the number of rounds of repetitive potential cycling increased due to the dissolution of the metals within the catalyst structure. For long-term measurement, Pt- Pd/C was the most stable than the other three electrocatalysts.

Keywords: ORR activity, Stability, Pt-based electrocatalysts, PEM fuel cell.

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Authors: Siti Khadijah Che Osmi, Syed Mohd Ahmad

Abstract:

This paper presents a methodology to develop fragility curves for shallow tunnels so as to describe a relationship between seismic hazard and tunnel vulnerability. Emphasis is given to the influence of surrounding soil material properties because the dynamic behaviour of the tunnel mostly depends on it. Four ground properties of soils ranging from stiff to soft soils are selected. A 3D nonlinear time history analysis is used to evaluate the seismic response of the tunnel when subjected to five real earthquake ground intensities. The derived curves show the future probabilistic performance of the tunnels based on the predicted level of damage states corresponding to the peak ground acceleration. A comparison of the obtained results with the previous literature is provided to validate the reliability of the proposed fragility curves. Results show the significant role of soil properties and input motions in evaluating the seismic performance and response of shallow tunnels.

Keywords: Fragility analysis, seismic performance, tunnel lining, vulnerability.

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Authors: Subrata Das, Sisir Kumar Guha

Abstract:

The objective of the present paper is to theoretically investigate the steady-state performance characteristics of journal bearing of finite width, operating with micropolar lubricant in a turbulent regime. In this analysis, the turbulent shear stress coefficients are used based on the Constantinescu’s turbulent model suggested by Taylor and Dowson with the assumption of parallel and inertia-less flow. The numerical solution of the modified Reynolds equation has yielded the distribution of film pressure which determines the static performance characteristics in terms of load capacity, attitude angle, end flow rate and frictional parameter at various values of eccentricity ratio, non-dimensional characteristics length, coupling number and Reynolds number.

Keywords: Hydrodynamic lubrication, steady-state, micropolar lubricant, turbulent.

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Authors: K. Khelil, H. Ammar, K. Saouchi

Abstract:

Fiber Bragg Grating (FBG) structure is an periodically modulated optical fiber. It acts as a selective filter of wavelength whose reflected peak is called Bragg wavelength and it depends on the period of the fiber and the refractive index. The simulation of FBG is based on solving the Coupled Mode Theory equation by using the Transfer Matrix Method which is carried out using MATLAB. It is found that spectral reflectivity is shifted when the change of temperature and strain is uniform. Under non-uniform temperature or strain perturbation, the spectrum is both shifted and destroyed. In case of transverse loading, reflectivity spectrum is split into two peaks, the first is specific to X axis, and the second belongs to Y axis. FBGs are used in civil engineering to detect perturbations applied to buildings.

Keywords: Bragg wavelength, coupled mode theory, optical fiber, temperature measurement.

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Authors: Shine U P, EMS Nair

Abstract:

Fatigue is the major threat in service of steel structure subjected to fluctuating loads. With the additional effect of corrosion and presence of weld joints the fatigue failure may become more critical in structural steel. One of the apt examples of such structural is the sailing ship. This is experiencing a constant stress due to floating and a pulsating bending load due to the waves. This paper describes an attempt to verify theory of fatigue in fracture mechanics approach with experimentation to determine the constants of crack growth curve. For this, specimen is prepared from the ship building steel and it is subjected to a pulsating bending load with a known defect. Fatigue crack and its nature is observed in this experiment. Application of fracture mechanics approach in fatigue with a simple practical experiment is conducted and constants of crack growth equation are investigated.

Keywords: fatigue, fracture mechanics, fatigue testing machine

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Authors: Behnam Shirkhanghah, Ali Darabadi-Zare, Houshyar Eimani-Kalesar, Babak Pahlevan

Abstract:

Prestressing in structure increases ratio of load-bearing capacity to weight. Suspendomes are single-layer braced domes reinforced with cable and strut. Prestressing of cables alter value and distribution of stress in structure. In this study two configuration, diamatic and lamella domes is selected. Investigated domes have span of 100m with rise-to-span ratios of 0.1, 0.2, and 0.3. Single layer domes loaded under service load combinations according to ISO code. After geometric nonlinear analysis, models are designed with tubular and I-shaped sections then reinforced with cable and strut and converted to suspendomes. Displacements and stresses of some groups of nodes and elements in all of single-layer domes and suspendomes for three load combinations, symmetric snow, asymmetric snow and wind are compared. Variation due to suspending system is investigated. Suspendomes are redesigned and minimum possible weight after addition of cable and strut is obtained.

Keywords: Braced dome, Prestressing, Single-layer, Suspendome.

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Authors: Athanasios Theoharidis, Thomas Kamalakis, Ioannis Neokosmidis, Thomas Sphicopoulos

Abstract:

In this paper, the application of the Mode Matching (MM) method in the case of photonic crystal waveguide discontinuities is presented. The structure under consideration is divided into a number of cells, which supports a number of guided and evanescent modes. These modes can be calculated numerically by an alternative formulation of the plane wave expansion method for each frequency. A matrix equation is then formed relating the modal amplitudes at the beginning and at the end of the structure. The theory is highly efficient and accurate and can be applied to study the transmission sensitivity of photonic crystal devices due to fabrication tolerances. The accuracy of the MM method is compared to the Finite Difference Frequency Domain (FDFD) and the Adjoint Variable Method (AVM) and good agreement is observed.

Keywords: Optical Communications, Integrated Optics, Photonic Crystals, Optical Waveguide Discontinuities.

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Authors: Mehdi Seifbarghy, Keyvan Roshan

Abstract:

Main goal of preventive healthcare problems are at decreasing the likelihood and severity of potentially life-threatening illnesses by protection and early detection. The levels of establishment and staffing costs along with summation of the travel and waiting time that clients spent are considered as objectives functions of the proposed nonlinear integer programming model. In this paper, we have proposed a bi-objective mathematical model for designing a network of preventive healthcare facilities so as to minimize aforementioned objectives, simultaneously. Moreover, each facility acts as M/M/1 queuing system. The number of facilities to be established, the location of each facility, and the level of technology for each facility to be chosen are provided as the main determinants of a healthcare facility network. Finally, to demonstrate performance of the proposed model, four multi-objective decision making techniques are presented to solve the model.

Keywords: Preventive healthcare problems, Non-linear integer programming models, Multi-objective decision making techniques

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Authors: Jing S. Bai, Li Y. Zou, Tao Wang, Kun Liu, Wen B. Huang, Jin H. Liu, Ping Li, Duo W. Tan, CangL. Liu

Abstract:

We studied the evolution of elliptic heavy SF6 gas cylinder surrounded by air when accelerated by a planar Mach 1.25 shock. A multiple dynamics imaging technology has been used to obtain one image of the experimental initial conditions and five images of the time evolution of elliptic cylinder. We compared the width and height of the circular and two kinds of elliptic gas cylinders, and analyzed the vortex strength of the elliptic ones. Simulations are in very good agreement with the experiments, but due to the different initial gas cylinder shapes, a certain difference of the initial density peak and distribution exists between the circular and elliptic gas cylinders, and the latter initial state is more sensitive and more inenarrable.

Keywords: About four key words or phrases in alphabeticalorder, separated by commas.

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Authors: Mustafa M. Donma, Orkide Donma

Abstract:

The impact of metabolic syndrome (MetS) on cognition and functions of the brain is being investigated. Iron deficiency and deficiencies of B9 (folate) as well as B12 (cobalamin) vitamins are best-known nutritional anemias. They are associated with cognitive disorders and learning difficulties. The antidepressant effects of vitamin D are known and the deficiency state affects mental functions negatively. The aim of this study is to investigate possible correlations of MetS with serum brain-derived neurotrophic factor (BDNF), iron, folate, cobalamin and vitamin D in pediatric patients. 30 children, whose age- and sex-dependent body mass index (BMI) percentiles vary between 85 and 15, 60 morbid obese children with above 99^th percentiles constituted the study population. Anthropometric measurements were taken. BMI values were calculated. Age- and sex-dependent BMI percentile values were obtained using the appropriate tables prepared by the World Health Organization (WHO). Obesity classification was performed according to WHO criteria. Those with MetS were evaluated according to MetS criteria. Serum BDNF was determined by enzyme-linked immunosorbent assay. Serum folate was analyzed by an immunoassay analyzer. Serum cobalamin concentrations were measured using electrochemiluminescence immunoassay. Vitamin D status was determined by the measurement of 25-hydroxycholecalciferol [25-hydroxy vitamin D3, 25(OH)D] using high performance liquid chromatography. Statistical evaluations were performed using SPSS for Windows, version 16. The p values less than 0.05 were accepted as statistically significant. Although statistically insignificant, lower folate and cobalamin values were found in MO children compared to those observed for children with normal BMI. For iron and BDNF values, no alterations were detected among the groups. Significantly decreased vitamin D concentrations were noted in MO children with MetS in comparison with those in children with normal BMI (p ≤ 0.05). The positive correlation observed between iron and BDNF in normal-BMI group was not found in two MO groups. In THE MetS group, the partial correlation among iron, BDNF, folate, cobalamin, vitamin D controlling for waist circumference and BMI was r = -0.501; p ≤ 0.05. None was calculated in MO and normal BMI groups. In conclusion, vitamin D should also be considered during the assessment of pediatric MetS. Waist circumference and BMI should collectively be evaluated during the evaluation of MetS in children. Within this context, BDNF appears to be a key biochemical parameter during the examination of obesity degree in terms of mental functions, cognition and learning capacity. The association observed between iron and BDNF in children with normal BMI was not detected in MO groups possibly due to development of inflammation and other obesity-related pathologies. It was suggested that this finding may contribute to mental function impairments commonly observed among obese children.

Keywords: Brain-derived neurotrophic factor, iron, Vitamin B9, Vitamin B12, Vitamin D.

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Authors: Amer Al Mahmoud Alsheikh, Jan Žídek, František Krčma

Abstract:

Using ab initio theoretical calculations, we present analysis of fragmentation process. The analysis is performed in two steps. The first step is calculation of fragmentation energies by ab initio calculations. The second step is application of the energies to kinetic description of process. The energies of fragments are presented in this paper. The kinetics of fragmentation process can be described by numerical models. The method for kinetic analysis is described in this paper. The result - composition of fragmentation products - will be calculated in future. The results from model can be compared to the concentrations of fragments from mass spectrum.

Keywords: Ab initio, Density functional theory, Fragmentation energy, Geometry optimization.

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