Search results for: Non-uniform thermal gradient

Authors: Teuku Rihayat, Suryani

Abstract:

Polyurethanes (PURs) are very versatile polymeric materials with a wide range of physical and chemical properties. PURs have desirable properties such as high abrasion resistance, tear strength, shock absorption, flexibility and elasticity. Although they have relatively poor thermal stability, this can be improved by using treated clay. Polyurethane/clay nanocomposites have been synthesized from renewable sources. A polyol for the production of polyurethane by reaction with an isocyanate was obtained by the synthesis of palm oil-based oleic acid with glycerol. Dodecylbenzene sulfonic acid (DBSA) was used as catalyst and emulsifier. The unmodified clay (kunipia-F) was treated with cetyltrimethyl ammonium bromide (CTAB-mont) and octadodecylamine (ODAmont). The d-spacing in CTAB-mont and ODA-mont were 1.571 nm and 1.798 nm respectively and larger than that of the pure-mont (1.142 nm). The organoclay was completely intercalated in the polyurethane, as confirmed by a wide angle x-ray diffraction (WAXD) pattern. The results showed that adding clay demonstrated better thermal stability in comparison with the virgin polyurethane. Onset degradation of pure PU is at 200oC, and is lower than that of the CTAB-mont PU and ODA-mont PU which takes place at about 318oC and 330oC, respectively. The mechanical properties (including the dynamic mechanical properties) of pure polyurethane (PU) and PU/clay nanocomposites, were measured. The modified organoclay had a remarkably beneficial effect on the strength and elongation at break of the nanocomposites, which both increased with increasing clay content with the increase of the tensile strength of more than 214% and 267% by the addition of only 5 wt% of the montmorillonite CTAB-mont PU and ODA-mont PU, respectively.

Keywords: Polyurethane, Clay nanocomposites, Biobase

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Authors: Michael G. Pantelyat

Abstract:

Fundamental basics of pure and applied research in the area of magneto-thermo-mechanical numerical analysis and design of innovative electromagnetic devices (modern induction heaters, novel thermoelastic actuators, rotating electrical machines, induction cookers, electrophysical devices) are elaborated. Thus, mathematical models of magneto-thermo-mechanical processes in electromagnetic devices taking into account main interactions of interrelated phenomena are developed. In addition, graphical representation of coupled (multiphysics) phenomena under consideration is proposed. Besides, numerical techniques for nonlinear problems solution are developed. On this base, effective numerical algorithms for solution of actual problems of practical interest are proposed, validated and implemented in applied 2D and 3D computer codes developed. Many applied problems of practical interest regarding modern electrical engineering devices are numerically solved. Investigations of the influences of various interrelated physical phenomena (temperature dependences of material properties, thermal radiation, conditions of convective heat transfer, contact phenomena, etc.) on the accuracy of the electromagnetic, thermal and structural analyses are conducted. Important practical recommendations on the choice of rational structures, materials and operation modes of electromagnetic devices under consideration are proposed and implemented in industry.

Keywords: Electromagnetic devices, multiphysics, numerical analysis, simulation and design.

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Authors: Pil Un Kim, Yunjung Lee, Gihyoun Lee, Jin Ho Cho, Myoung Nam Kim

Abstract:

In this paper, the vessel inscribed trigonometry (VITM) for the vessel progression orientation (VPO) is proposed in the two-dimensional fundus image. The VPO is a major factor in the optic disc (OD) detection which is a basic process in the retina analysis. To measure the VPO, skeletons of vessel are used. First, the vessels are classified into three classes as vessel end, vessel branch and vessel stem. And the chain code maps of VS are generated. Next, two farthest neighborhoods of each point on VS are searched by the proposed angle restriction. Lastly, a gradient of the straight line between two farthest neighborhoods is estimated to measure the VPO. VITM is validated by comparing with manual results and 2D Gaussian templates. It is confirmed that VPO of the proposed mensuration is correct enough to detect OD from the results of experiment which applied VITM to detect OD in fundus images.

Keywords: Angle measurement, Optic disc, Retina vessel, Vessel progression orientation.

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Authors: M.Hosseinjani Zamenjani, A.R.Tahmasebi Birgani, M.R.Isvandzibaei

Abstract:

Vibration of thin cylindrical shells made of a functionally gradient material composed of stainless steel and nickel is presented. The effects of the FGM configuration are studied by studying the frequencies of FG cylindrical shells. In this case FG cylindrical shell has Nickel on its outer surface and stainless steel on its inner surface. The study is carried out based on third order shear deformation shell theory. The objective is to study the natural frequencies, the influence of constituent volume fractions and the effects of configurations of the constituent materials on the frequencies. The properties are graded in the thickness direction according to the volume fraction power-law distribution. Results are presented on the frequency characteristics, the influence of the constituent various volume fractions on the frequencies.

Keywords: Nickel, Stainless Steel, Cylindrical shell.

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Authors: Alexandre Marin, Alexandra Bac, Laurent Astart

Abstract:

New numerical methods for PDE resolution (such as Finite Volumes (FV) or Virtual Element Method (VEM)) open new needs in terms of meshing of domains of interest, and in particular polyhedral meshes have many advantages. One way to build such meshes consists in constructing Restricted Voronoi Diagrams (RVDs) whose boundaries respect the domain of interest. By minimizing a function defined for RVDs, the shapes of cells can be controlled, i.e. elongated according to user-defined directions or adjusted to comply with given aspect ratios (anisotropy) and density variations. In this paper, our contribution is threefold: first, we present a gradient formula for the Voronoi tessellation energy under a continuous anisotropy field. Second, we describe a meshing algorithm based on the optimisation of this function that we validate against state-of-the-art approaches. Finally, we propose a hierarchical approach to speed up our meshing algorithm.

Keywords: Anisotropic Voronoi Diagrams, Meshes for Numerical Simulations, Optimisation, Volumic Polyhedral Meshing.

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Authors: Salim Ouchtati, Jean Sequeira, Mouldi Bedda

Abstract:

In the context of the handwriting recognition, we propose an off line system for the recognition of the Arabic handwritten words of the Algerian departments. The study is based mainly on the evaluation of neural network performances, trained with the gradient back propagation algorithm. The used parameters to form the input vector of the neural network are extracted on the binary images of the handwritten word by several methods. The Distribution parameters, the centered moments of the different projections of the different segments, the centered moments of the word image coding according to the directions of Freeman, and the Barr features applied binary image of the word and on its different segments. The classification is achieved by a multi layers perceptron. A detailed experiment is carried and satisfactory recognition results are reported.

Keywords: Handwritten word recognition, neural networks, image processing, pattern recognition, features extraction.

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Authors: L. Abukova, O. Abramova, A. Goreva, Y. Yakovlev

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Important executive decisions on oil and gas production stimulation in Eastern Siberia have been recently taken. There are unique and large fields of oil, gas, and gas-condensate in Eastern Siberia. The Talakan, Koyumbinskoye, Yurubcheno-Tahomskoye, Kovykta, Chayadinskoye fields are supposed to be developed first. It will result in an abrupt increase in environmental load on the nature of Eastern Siberia. In Eastern Siberia, the introduction of ecological imperatives in hydrocarbon production is still realistic. Underground water movement is the one of the most important factors of the ecosystems condition management. Oil and gas production is associated with the forced displacement of huge water masses, mixing waters of different composition, and origin that determines the extent of anthropogenic impact on water drive systems and their protective reaction. An extensive hydrogeological system of the depression type is identified in the pre-salt deposits here. Pressure relieve here is steady up to the basement. The decrease of the hydrodynamic potential towards the basement with such a gradient resulted in reformation of the fields in process of historical (geological) development of the Nepsko-Botuobinskaya anteclise. The depression hydrodynamic systems are characterized by extremely high isolation and can only exist under such closed conditions. A steady nature of water movement due to a strictly negative gradient of reservoir pressure makes it quite possible to use environmentally-harmful liquid substances instead of water. Disposal of the most hazardous wastes is the most expedient in the deposits of the crystalline basement in certain structures distant from oil and gas fields. The time period for storage of environmentally-harmful liquid substances may be calculated by means of the geological time scales ensuring their complete prevention from releasing into environment or air even during strong earthquakes. Disposal of wastes of chemical and nuclear industries is a matter of special consideration. The existing methods of storage and disposal of wastes are very expensive. The methods applied at the moment for storage of nuclear wastes at the depth of several meters, even in the most durable containers, constitute a potential danger. The enormous size of the depression system of the Nepsko-Botuobinskaya anteclise makes it possible to easily identify such objects at the depth below 1500 m where nuclear wastes will be stored indefinitely without any environmental impact. Thus, the water drive system of the Nepsko-Botuobinskaya anteclise is the ideal object for large-volume injection of environmentally harmful liquid substances even if there are large oil and gas accumulations in the subsurface. Specific geological and hydrodynamic conditions of the system allow the production of hydrocarbons from the subsurface simultaneously with the disposal of industrial wastes of oil and gas, mining, chemical, and nuclear industries without any environmental impact.

Keywords: Eastern Siberia, formation pressure, underground water, waste burial.

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Authors: M. Battira, R. Bessaih

Abstract:

We numerically study the three-dimensional magnetohydrodynamics (MHD) stability of oscillatory natural convection flow in a rectangular cavity, with free top surface, filled with a liquid metal, having an aspect ratio equal to A=L/H=5, and subjected to a transversal temperature gradient and a uniform magnetic field oriented in x and z directions. The finite volume method was used in order to solve the equations of continuity, momentum, energy, and potential. The stability diagram obtained in this study highlights the dependence of the critical value of the Grashof number Grcrit , with the increase of the Hartmann number Ha for two orientations of the magnetic field. This study confirms the possibility of stabilization of a liquid metal flow in natural convection by application of a magnetic field and shows that the flow stability is more important when the direction of magnetic field is longitudinal than when the direction is transversal.

Keywords: Natural convection, Magnetic field, Oscillatory, Cavity, Liquid metal.

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Authors: Ali Reza Vaezi, Ouldouz Bakhshi Rad

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Gully erosion is a widespread and often dramatic form of soil erosion caused by water during and immediately after heavy rainfall. It occurs when flowing surface water is channelled across unprotected land and washes away the soil along the drainage lines. The formation of gully is influenced by various factors, including climate, drainage surface area, slope gradient, vegetation cover, land use, and soil properties. It is a very important problem in semi-arid regions, where soils have lower organic matter and are weakly aggregated. Intensive agriculture and tillage along the slope can accelerate soil erosion by water in the region. There is little information on the development of gully erosion in agricultural rainfed areas. Therefore, this study was carried out to investigate the relationship between gully erosion and morphometric characteristics of the drainage area and the effects of soil properties and soil management factors (land use and tillage method) on gully development. A field study was done in a 900 km2 agricultural area in Hshtroud township located in the south of East Azerbaijan province, NW Iran. Toward this, 222 gullies created in rainfed lands were found in the area. Some properties of gullies, consisting of length, width, depth, height difference, cross section area, and volume, were determined. Drainage areas for each or some gullies were determined, and their boundaries were drawn. Additionally, the surface area of each drainage, land use, tillage direction, and soil properties that may affect gully formation were determined. The soil erodibility factor (K) defined in the Universal Soil Loss Equation (USLE) was estimated based on five soil properties (silt and very fine sand, coarse sand, organic matter, soil structure code, and soil permeability). Gully development in each drainage area was quantified using its volume and soil loss. The dependency of gully development on drainage area characteristics (surface area, land use, tillage direction, and soil properties) was determined using correlation matrix analysis. Based on the results, gully length was the most important morphometric characteristic indicating the development of gully erosion in the lands. Gully development in the area was related to slope gradient (r = -0.26), surface area (r = 0.71), the area of rainfed lands (r = 0.23), and the area of rainfed tilled along the slope (r = 0.24). Nevertheless, its correlation with the area of pasture and soil erodibility factor (K) was not significant. Among the characteristics of drainage area, surface area is the major factor controlling gully volume in the agricultural land. No significant correlation was found between gully erosion and soil erodibility factor (K) estimated by the USLE. It seems the estimated soil erodibility cannot describe the susceptibility of the study soils to the gully erosion process. In these soils, aggregate stability and soil permeability are the two soil physical properties that affect the actual soil erodibility and in consequence, these soil properties can control gully erosion in the rainfed lands. 

Keywords: Agricultural area, gully properties, soil structure, USLE, Universal Soil Loss Equation.

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Authors: N. Türkmenoğlu Bayraktar, E. Kishalı

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Campus buildings are educational facilities where various amount of energy consumption for lighting, heating, cooling and ventilation occurs. Some of the new universities in Turkey, where this investigation takes place, still continue their educational activities in existing buildings primarily designed for different architectural programs and converted to campus buildings via changes of function, space organizations and structural interventions but most of the time without consideration of appropriate micro climatic conditions. Reducing energy consumption in these structures not only contributes to the national economy but also mitigates the negative effects on environment. Furthermore, optimum thermal comfort conditions should be provided during the refurbishment of existing campus structures and their building envelope. Considering this issue, the first step is to investigate the climatic performance of building elements regarding refurbishment process. In the context of the study Kocaeli University, Faculty of Design and Architecture building constructed in 1980s in Anıtpark campus located in the central part of Kocaeli, Turkey was investigated. Climatic factors influencing thermal conditions; the deteriorations on building envelope; temperature distribution; heat losses from façade elements observed by thermography were presented in order to improve strategies for retrofit process for the building envelope. Within the scope of the survey, refurbishment strategies towards providing optimum climatic comfort conditions, increasing energy efficiency of building envelope were proposed.

Keywords: Building envelope, IRT, refurbishment, non-destructive test.

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Authors: Mehdi Salehi Barough, Saviz Sehat Kashani, A.A. Bidokhti, A.Ranjbar

Abstract:

The presence of cold air with the convergent topography of the Lut valley over the valley-s sloping terrain can generate Low Level Jets (LLJ). Moreover, the valley-parallel pressure gradients and northerly LLJ are produced as a result of the large-scale processes. In the numerical study the regional MM5 model was run leading to achieve an appropriate dynamical analysis of flows in the region for summer and winter. The results of this study show the presence of summer synoptical systems cause the formation of north-south pressure gradients in the valley which could be led to the blowing of winds with the velocity more than 14 ms-1 and vulnerable dust and wind storms lasting more than 120 days. Whereas the presence of cold air masses in the region in winter, cause the average speed of LLJs decrease. In this time downslope flows are noticeable in creating the night LLJs.

Keywords: Cold advection, Low Level Jet, MM5 Model, Pressure gradient

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Authors: Duško Salemović, Aleksandar Dedić, Matilda Lazić, Dragan Halas

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The paper presents the conceptual solution for the final cooling of the chocolate dressing of biscuit in one confectionary factory in Serbia. The proposed concept solution was derived from the desired technological process of final cooling of biscuit and the required process parameters that were to be achieved, and which were an integral part of the project task. The desired process parameters for achieving proper hardening and coating formation are: the exchanged amount of heat in the time unit between the two media (air and chocolate dressing), speed of air inside the tunnel cooler and the surface of all biscuits in contact with the air. These parameters were calculated in the paper. The final cooling of chocolate dressing on biscuits could be optimized by changing process parameters and dimensions of the tunnel cooler, and looking for the appropriate values for them. The accurate temperature predictions and fluid flow analysis could be conducted by using heat balance and flow balance equations having in mind theory of similarity. Furthermore, some parameters were adopted from previous technology process, such as: inlet temperature of biscuits and input air temperature. A thermal calculation was carried out and it was demonstrated that the percentage error between the contact surface of the air and the chocolate biscuit topping, which is obtained from the heat balance and geometrically 0.67%, which is very good agreement. This enabled quality of the cooling process of chocolate dressing applied on biscuit and hardness of its coating.

Keywords: Air, chocolate dressing, cooling, heat balance.

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Authors: A.R.Tahmasebi Birgani, M.Hosseinjani Zamenjani, M.R.Isvandzibaei

Abstract:

Study is on the vibration of thin cylindrical shells made of a functionally gradient material (FGM) composed of stainless steel and nickel is presented. The effects of the FGM configuration are studied by studying the frequencies of FG cylindrical shells. In this case FG cylindrical shell has Nickel on its inner surface and stainless steel on its outer surface. The study is carried out based on third order shear deformation shell theory. The objective is to study the natural frequencies, the influence of constituent volume fractions and the effects of configurations of the constituent materials on the frequencies. The properties are graded in the thickness direction according to the volume fraction power-law distribution. Results are presented on the frequency characteristics, the influence of the constituent various volume fractions on the frequencies.

Keywords: Nickel, Stainless Steel, Cylindrical shell.

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Authors: M.R.Alinaghizadehand, M.R.Isvandzibaei

Abstract:

Study of the vibration cylindrical shells made of a functionally gradient material (FGM) composed of stainless steel and nickel is important. Material properties are graded in the thickness direction of the shell according to volume fraction power law distribution. The objective is to study the natural frequencies, the influence of constituent volume fractions and the effects of boundary conditions on the natural frequencies of the FG cylindrical shell. The study is carried out using third order shear deformation shell theory. The governing equations of motion of FG cylindrical shells are derived based on shear deformation theory. Results are presented on the frequency characteristics, influence of constituent volume fractions and the effects of clampedclamped boundary conditions.

Keywords: Vibration, FGM, Cylindrical shell, Hamilton's principle.

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Authors: Mansour Al Qubeissi, Sergei S. Sazhin, Cyril Crua, Morgan R. Heikal

Abstract:

This paper presents the application of the Discrete Component Model for heating and evaporation to multi-component biodiesel fuel droplets in direct injection internal combustion engines. This model takes into account the effects of temperature gradient, recirculation and species diffusion inside droplets. A distinctive feature of the model used in the analysis is that it is based on the analytical solutions to the temperature and species diffusion equations inside the droplets. Nineteen types of biodiesel fuels are considered. It is shown that a simplistic model, based on the approximation of biodiesel fuel by a single component or ignoring the diffusion of components of biodiesel fuel, leads to noticeable errors in predicted droplet evaporation time and time evolution of droplet surface temperature and radius.

Keywords: Heat/Mass Transfer, Biodiesel, Multi-component Fuel, Droplet, Evaporation.

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Authors: Abdul Kadir Jumaat, Siti Salmah Yasiran, Wan Eny Zarina Wan Abd Rahman, Aminah Abdul Malek

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A mammography image is composed of low contrast area where the breast tissues and the breast abnormalities such as microcalcification can hardly be differentiated by the medical practitioner. This paper presents the application of active contour models (Snakes) for the segmentation of microcalcification in mammography images. Comparison on the microcalcifiation areas segmented by the Balloon Snake, Gradient Vector Flow (GVF) Snake, and Distance Snake is done against the true value of the microcalcification area. The true area value is the average microcalcification area in the original mammography image traced by the expert radiologists. From fifty images tested, the result obtained shows that the accuracy of the Balloon Snake, GVF Snake, and Distance Snake in segmenting boundaries of microcalcification are 96.01%, 95.74%, and 95.70% accuracy respectively. This implies that the Balloon Snake is a better segmentation method to locate the exact boundary of a microcalcification region.

Keywords: Balloon Snake, GVF Snake, Distance Snake, Mammogram, Microcalcifications, Segmentation

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Authors: Avinash Chandra, R. P. Chhabra

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Natural convection heat transfer from a heated horizontal semi-circular cylinder (flat surface upward) has been investigated for the following ranges of conditions; Grashof number, and Prandtl number. The governing partial differential equations (continuity, Navier-Stokes and energy equations) have been solved numerically using a finite volume formulation. In addition, the role of the type of the thermal boundary condition imposed at cylinder surface, namely, constant wall temperature (CWT) and constant heat flux (CHF) are explored. Natural convection heat transfer from a heated horizontal semi-circular cylinder (flat surface upward) has been investigated for the following ranges of conditions; Grashof number, and Prandtl number, . The governing partial differential equations (continuity, Navier-Stokes and energy equations) have been solved numerically using a finite volume formulation. In addition, the role of the type of the thermal boundary condition imposed at cylinder surface, namely, constant wall temperature (CWT) and constant heat flux (CHF) are explored. The resulting flow and temperature fields are visualized in terms of the streamline and isotherm patterns in the proximity of the cylinder. The flow remains attached to the cylinder surface over the range of conditions spanned here except that for and ; at these conditions, a separated flow region is observed when the condition of the constant wall temperature is prescribed on the surface of the cylinder. The heat transfer characteristics are analyzed in terms of the local and average Nusselt numbers. The maximum value of the local Nusselt number always occurs at the corner points whereas it is found to be minimum at the rear stagnation point on the flat surface. Overall, the average Nusselt number increases with Grashof number and/ or Prandtl number in accordance with the scaling considerations. The numerical results are used to develop simple correlations as functions of Grashof and Prandtl number thereby enabling the interpolation of the present numerical results for the intermediate values of the Prandtl or Grashof numbers for both thermal boundary conditions.

Keywords: Constant heat flux, Constant surface temperature, Grashof number, natural convection, Prandtl number, Semi-circular cylinder

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Authors: N. Thongjub, B. Puangkird, V. Ngamaramvaranggul

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The numerical simulation of the slip effect via vicoelastic fluid for 4:1 contraction problem is investigated with regard to kinematic behaviors of streamlines and stress tensor by models of the Navier-Stokes and Oldroyd-B equations. Twodimensional spatial reference system of incompressible creeping flow with and without slip velocity is determined and the finite element method of a semi-implicit Taylor-Galerkin pressure-correction is applied to compute the problem of this Cartesian coordinate system including the schemes of velocity gradient recovery method and the streamline-Upwind / Petrov-Galerkin procedure. The slip effect at channel wall is added to calculate after each time step in order to intend the alteration of flow path. The result of stress values and the vortices are reduced by the optimum slip coefficient of 0.1 with near the outcome of analytical solution.

Keywords: Slip effect, Oldroyd-B fluid, slip coefficient, time stepping method.

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Authors: T. Zergoug, S.H. Abaidia, A. Nedjar, M. Y. Mokeddem

Abstract:

Physical properties of uranium dinitride (UN2) were investigated in detail using first principle calculations based on density functional theory (DFT). To study the strong correlation effects due to 5f uranium valence electrons, the on-site coulomb interaction correction U via the Hubbard-like term (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard-U is strong like Young modulus but for others it is weakly noticeable such as bulk modulus. We noticed also that from U=7.5 eV, elastic results don’t agree with the cubic cell because of the C44 values which turn out to be negative.

Keywords: Ab initio, bulk modulus, DFT, DFT + U.

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Authors: Abdulbasit G. A. Abdulsayid

Abstract:

The main focus of the work was concerned with hydrodynamic and thermal analysis of the plate heat exchanger channel with corrugation patterns suggested to be triangular, sinusoidal, and square corrugation. This study was to numerically model and validate the triangular corrugated channel with dimensions/parameters taken from open literature, and then model/analyze both sinusoidal, and square corrugated channel referred to the triangular model. Initially, 2D modeling with local extensive analysis for triangular corrugated channel was carried out. By that, all local pressure drop, wall shear stress, friction factor, static temperature, heat flux, Nusselt number, and surface heat coefficient, were analyzed to interpret the hydrodynamic and thermal phenomena occurred in the flow. Furthermore, in order to facilitate confidence in this model, a comparison between the values predicted, and experimental results taken from literature for almost the same case, was done. Moreover, a holistic numerical study for sinusoidal and square channels together with global comparisons with triangular corrugation under the same condition, were handled. Later, a comparison between electric, and fluid cooling through varying the boundary condition was achieved. The constant wall temperature and constant wall heat flux boundary conditions were employed, and the different resulted Nusselt numbers as a consequence were justified. The results obtained can be used to come up with an optimal design, a 'compromise' between heat transfer and pressure drop.

Keywords: Corrugated Channel, CFD, Heat Exchanger, Heat Enhancement.

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Authors: R. C. J. Mphahlele, K. Bolton, H. Kasaini

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Empirical force fields and density functional theory (DFT) was used to study the binding energies and structures of methylamine on the surface of activated carbons (ACs). This is a first step in studying the adsorption of alkyl amines on the surface of functionalized ACs. The force fields used were Dreiding (DFF), Universal (UFF) and Compass (CFF) models. The generalized gradient approximation with Perdew Wang 91 (PW91) functional was used for DFT calculations. In addition to obtaining the aminecarboxylic acid adsorption energies, the results were used to establish reliability of the empirical models for these systems. CFF predicted a binding energy of -9.227 (kcal/mol) which agreed with PW91 at - 13.17 (kcal/mol), compared to DFF 0 (kcal/mol) and UFF -0.72 (kcal/mol). However, the CFF binding energies for the amine to ester and ketone disagreed with PW91 results. The structures obtained from all models agreed with PW91 results.

Keywords: Activated Carbons, Binding energy, DFT, Force fields.

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Authors: Bakhtiar Ul Haq, R. Ahmed, A. Shaari, Mazmira Binti Mohamed, Nisar Ali

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The capability of exploiting the electronic charge and spin properties simultaneously in a single material has made diluted magnetic semiconductors (DMS) remarkable in the field of spintronics. We report the designing of DMS based on zinc-blend ZnO doped with Cr impurity. The full potential linearized augmented plane wave plus local orbital FP-L(APW+lo) method in density functional theory (DFT) has been adapted to carry out these investigations. For treatment of exchange and correlation energy, generalized gradient approximations have been used. Introducing Cr atoms in the matrix of ZnO has induced strong magnetic moment with ferromagnetic ordering at stable ground state. Cr:ZnO was found to favor the short range magnetic interaction that reflect tendency of Cr clustering. The electronic structure of ZnO is strongly influenced in the presence of Cr impurity atoms where impurity bands appear in the band gap.

Keywords: ZnO, Density functional theory, Diluted magnetic semiconductors, Ferromagnetic materials, FP-L(APW+lo).

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Authors: I. Kruashvili, I. Inashvili, K. Bziava, M. Lomishvili

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Seepage capillary anomalies in the active layer of soil, related to the soil water movement, often cause variation of soil hydrophysical properties and become one of the main objectives of the hydroecology. It is necessary to mention that all existing equations for computing the seepage flow particularly from soil channels, through dams, bulkheads, and foundations of hydraulic engineering structures are preferable based on the linear seepage law. Regarding the existing beliefs, anomalous seepage is based on postulates according to which the fluid in free volume is characterized by resistance against shear deformation and is presented in the form of initial gradient. According to the above-mentioned information, we have determined: Equation to calculate seepage coefficient when the velocity of transition flow is equal to seepage flow velocity; by means of power function, equations for the calculation of average and maximum velocities of seepage flow have been derived; taking into consideration the fluid continuity condition, average velocity for calculation of average velocity in capillary tube has been received.

Keywords: Seepage, soil, velocity, water.

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Authors: H. K. G. K. D. K. Hapuhinna, R. D. Gunaratne, H. M. J. C. Pitawala

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Hydroxyapatite is a bioceramic which can be used for applications in orthopedics and dentistry due to its structural similarity with the mineral phase of mammalian bones and teeth. In this study, it was synthesized, chemically changing natural Eppawala chloroapatite mineral as a value-added product. Sol-gel approach and solid state sintering were used to synthesize products using diluted nitric acid, ethanol and calcium hydroxide under different conditions. Synthesized Eppawala hydroxyapatite powder was characterized using X-ray Fluorescence (XRF), X-ray Powder Diffraction (XRD), Fourier-transform Infrared Spectroscopy (FTIR), Scanning Electron Microscopy (SEM), Thermogravimetric Analysis (TGA) and Differential Scanning Calorimetry (DSC) in order to find out its composition, crystallinity, presence of functional groups, bonding type, surface morphology, microstructural features, and thermal dependence and stability, respectively. The XRD results reflected the formation of a hexagonal crystal structure of hydroxyapatite. Elementary composition and microstructural features of products were discussed based on the XRF and SEM results of the synthesized hydroxyapatite powder. TGA and DSC results of synthesized products showed high thermal stability and good material stability in nature. Also, FTIR spectroscopy results confirmed the formation of hydroxyapatite from apatite via the presence of hydroxyl groups. Those results coincided with the FTIR results of mammalian bones including human bones. The study concludes that there is a possibility of producing hydroxyapatite using commercially available Eppawala chloroapatite in Sri Lanka.

Keywords: Dentistry, eppawala chloroapatite, hydroxyapatite, orthopedics.

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Authors: Sachin Kumar, Vivek Tiwari, Goutam Dutta

Abstract:

The paper investigates parallel channel instabilities of natural circulation boiling water reactor. A thermal-hydraulic model is developed to simulate two-phase flow behavior in the natural circulation boiling water reactor (NCBWR) with the incorporation of ex-core components and recirculation loop such as steam separator, down-comer, lower-horizontal section and upper-horizontal section and then, numerical analysis is carried out for parallel channel instabilities of the reactor undergoing both in-phase and out-of-phase modes of oscillations. To analyze the relative effect on stability of the reactor due to inclusion of various ex-core components and recirculation loop, marginal stable point is obtained at a particular inlet enthalpy of the reactor core without the inclusion of ex-core components and recirculation loop and then with the inclusion of the same. Numerical simulations are also conducted to determine the relative dominance between two modes of oscillations i.e. in-phase and out-of-phase. Simulations are also carried out when the channels are subjected to asymmetric power distribution keeping the inlet enthalpy same.

Keywords: Asymmetric power distribution, Density wave oscillations, In-phase and out-of-phase modes of instabilities, Natural circulation boiling water reactor

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Authors: Kuan-Liang Liu, Eric Lee, Jung-Jyh Lee, Jyh-Ping Hsu

Abstract:

The electrical interaction between two axisymmetric spheroidal particles in an electrolyte solution is examined numerically. A Galerkin finite element method combined with a Newton-Raphson iteration scheme is proposed to evaluate the spatial variation in the electrical potential, and the result obtained used to estimate the interaction energy between two particles. We show that if the surface charge density is fixed, the potential gradient is larger at a point, which has a larger curvature, and if surface potential is fixed, surface charge density is proportional to the curvature. Also, if the total interaction energy against closest surface-to-surface curve exhibits a primary maximum, the maximum follows the order (oblate-oblate) > (sphere-sphere)>(oblate-prolate)>(prolate-prolate), and if the curve has a secondary minimum, the absolute value of the minimum follows the same order.

Keywords: interaction energy, interaction force, Poisson-Boltzmann equation, spheroid.

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Authors: Md. Fazlul Karim, Ahmad Izani Ismail, Mohammed Ashaque Meah

Abstract:

This paper focuses on the development of a 2-D boundary fitted and nested grid (BFNG) model to compute the tsunami propagation of Indonesian tsunami 2004 along the coastal region of Penang in Peninsular Malaysia.

In the presence of a curvilinear coastline, boundary fitted grids are suitable to represent the model boundaries accurately. On the other hand, when large gradient of velocity within a confined area is expected, the use of a nested grid system is appropriate to improve the numerical accuracy with the least grid numbers.

This paper constructs a shallow water nested and orthogonal boundary fitted grid model and presents computational results of the tsunami impact on the Penang coast due to the Indonesian tsunami of 2004. The results of the numerical simulations are compared with available data.

Keywords: Boundary Fitted Nested Model, Tsunami, Penang Island, 2004 Indonesian Tsunami.

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Authors: O. S. Ebrahim, M. A. Badr, A. S. Elgendy, K. O. Shawky, P. K. Jain

Abstract:

This paper demonstrates an improved Loss Model Control (LMC) for a 3-phase induction motor (IM) driving pump load. Compared with other power loss reduction algorithms for IM, the presented one has the advantages of fast and smooth flux adaptation, high accuracy, and versatile implementation. The performance of LMC depends mainly on the accuracy of modeling the motor drive and losses. A loss-model for IM drive that considers the surplus power loss caused by inverter voltage harmonics using closed-form equations and also includes the magnetic saturation has been developed. Further, an Artificial Neural Network (ANN) controller is synthesized and trained offline to determine the optimal flux level that achieves maximum drive efficiency. The drive’s voltage and speed control loops are connecting via the stator frequency to avoid the possibility of excessive magnetization. Besides, the resistance change due to temperature is considered by a first-order thermal model. The obtained thermal information enhances motor protection and control. These together have the potential of making the proposed algorithm reliable. Simulation and experimental studies are performed on 5.5 kW test motor using the proposed control method. The test results are provided and compared with the fixed flux operation to validate the effectiveness.

Keywords: Artificial neural network, ANN, efficiency optimization, induction motor, IM, Pulse Width Modulated, PWM, harmonic losses.

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Authors: Hansoo Kim, Seunghak Shin

Abstract:

The differential column shortening in tall buildings can be reduced by improving material and structural characteristics of the structural systems. This paper proposes structural methods to reduce differential column shortening in reinforced concrete tall buildings; connecting columns with rigidly jointed horizontal members, using outriggers, and placing additional reinforcement at the columns. The rigidly connected horizontal members including outriggers reduce the differential shortening between adjacent vertical members. The axial stiffness of columns with greater shortening can be effectively increased by placing additional reinforcement at the columns, thus the differential column shortening can be reduced in the design stage. The optimum distribution of additional reinforcement can be determined by applying a gradient based optimization technique.

Keywords: Column shortening, long-term behavior, optimization, tall building.

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Authors: Junjie Chen, Deguang Xu

Abstract:

Transient simulation of the hydrogen-assisted self-ignition of propane-air mixtures were carried out in platinum-coated micro-channels from ambient cold-start conditions, using a two-dimensional model with reduced-order reaction schemes, heat conduction in the solid walls, convection and surface radiation heat transfer. The self-ignition behavior of hydrogen-propane mixed fuel is analyzed and compared with the heated feed case. Simulations indicate that hydrogen can successfully cause self-ignition of propane-air mixtures in catalytic micro-channels with a 0.2 mm gap size, eliminating the need for startup devices. The minimum hydrogen composition for propane self-ignition is found to be in the range of 0.8-2.8% (on a molar basis), and increases with increasing wall thermal conductivity, and decreasing inlet velocity or propane composition. Higher propane-air ratio results in earlier ignition. The ignition characteristics of hydrogen-assisted propane qualitatively resemble the selectively inlet feed preheating mode. Transient response of the mixed hydrogen- propane fuel reveals sequential ignition of propane followed by hydrogen. Front-end propane ignition is observed in all cases. Low wall thermal conductivities cause earlier ignition of the mixed hydrogen-propane fuel, subsequently resulting in low exit temperatures. The transient-state behavior of this micro-scale system is described, and the startup time and minimization of hydrogen usage are discussed.

Keywords: Micro-combustion, Self-ignition, Hydrogen addition, Heat transfer, Catalytic combustion, Transient simulation.

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