Search results for: Riemannian geometry.

Authors: Saravana Kannan Thangavelu

Abstract:

Fuel and oxidant gas delivery plate, or fuel cell plate, is a key component of a Proton Exchange Membrane (PEM) fuel cell. To manufacture low-cost and high performance fuel cell plates, advanced computer modeling and finite element structure analysis are used as virtual prototyping tools for the optimization of the plates at the early design stage. The present study examines thermal stress analysis of the fuel cell plates that are produced using a patented, low-cost fuel cell plate production technique based on screen-printing. Design optimization is applied to minimize the maximum stress within the plate, subject to strain constraint with both geometry and material parameters as design variables. The study reveals the characteristics of the printed plates, and provides guidelines for the structure and material design of the fuel cell plate.

Keywords: Design optimization, FEA, PEM fuel cell, Thermal stress

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2213

Authors: Ramy H. Mohammed

Abstract:

Displacement ventilation of a room with an occupant is modeled using CFD. The geometry of manikin is accurately represented in CFD model to minimize potential. Indoor zero equation turbulence model is used to simulate all cases and the effect of the thermal radiation from manikin is taken into account. After validation of the code, predicted mean vote, mean age of air, and ventilation effectiveness are used to predict the thermal comfort zones and indoor air quality. The effect of the inlet velocity and temperature on the thermal comfort and indoor air quality is investigated. The results show that the inlet velocity has great effect on the thermal comfort and indoor air quality and low inlet velocity is sufficient to establish comfortable conditions inside the room. In addition, the displacement ventilation system achieves not only thermal comfort in ventilated rooms, but also energy saving of fan power.

Keywords: Displacement ventilation, Energy saving, Thermal comfort, Turbulence model.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2594

Authors: V. Azadeh Ranjbar

Abstract:

Rarefied gas flows are often occurred in micro electro mechanical systems and classical CFD could not precisely anticipate the flow and thermal behavior due to the high Knudsen number. Therefore, the heat transfer and the fluid dynamics characteristics of rarefied gas flows in both a two-dimensional simple microchannel and geometry similar to single Knudsen compressor have been investigated with a goal of increasing performance of a actual Knudsen compressor by using a particle simulation method. Thermal transpiration and thermal creep, which are rarefied gas dynamic phenomena, that cause movement of the flow from less to higher temperature is generated by using two different longitude temperature gradients (Linear, Step) along the walls of the flow microchannel. In this study the influence of amount of temperature gradient and governing pressure in various Knudsen numbers and length-to-height ratios have been examined.

Keywords: DSMC, Thermal transpiration, Thermal creep, MEMS, Knudsen Compressor.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1252

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

Abstract:

To date, theoretical studies concerning the Carbon Fiber Reinforced Polymer (CFRP) strengthening of RC beams with openings have been rather limited. In addition, various numerical analyses presented so far have effectively simulated the behaviour of solid beam strengthened by FRP material. In this paper, a two dimensional nonlinear finite element analysis is presented to validate against the laboratory test results of six RC beams. All beams had the same rectangular cross-section geometry and were loaded under four point bending. The crack pattern results of the finite element model show good agreement with the crack pattern of the experimental beams. The load midspan deflection curves of the finite element models exhibited a stiffer result compared to the experimental beams. The possible reason may be due to the perfect bond assumption used between the concrete and steel reinforcement.

Keywords: CFRP, large opening, RC beam, strengthening

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1816

Authors: Alexander Babin, Leonid Savin

Abstract:

In the present paper, increasing of energy efficiency of a thrust hybrid bearing with a central feeding chamber is considered. The mathematical model was developed to determine the pressure distribution and the reaction forces, based on the Reynolds equation and static characteristics’ equations. The boundary problem of pressure distribution calculation was solved using the method of finite differences. For various types of lubricants, geometry and operational characteristics, axial gaps can be determined, where the minimal friction coefficient is provided. The next part of the study considers the application of servovalves in order to maintain the desired position of the rotor. The report features the calculation results and the analysis of the influence of the operational and geometric parameters on the energy efficiency of mechatronic fluid-film bearings.

Keywords: Active bearings, energy efficiency, mathematical model, mechatronics, thrust multipad bearing.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1221

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

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2038

Authors: A. Badarudin, C. S. Oon, S. N. Kazi, N. Nik-Ghazali, Y. J. Lee, W. T. Chong

Abstract:

An experimental and simulation flight test has been carried out to evaluate the longitudinal gliding characteristics of a lifting body with blunted half-cone geometry. The novelty here is the lifting body's pitch control mechanism, which consists of a pair of leading-edge rotating cylinders. Flight simulation uses aerodynamic data from computational fluid dynamics supported by wind-tunnel test. Flight test consists of releasing an aluminum lifting body model from a moving vehicle at the appropriate wind speed while measuring the lifting body's variation of altitude against time of flight. Results show that leading-edge rotating cylinder is able to give small amounts of improvement to the longitudinal stability and pitch control to the lifting body.

Keywords: Lifting body, pitch control, aerodynamic, rotating cylinder.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1928

Authors: B. Navayineya, J. Vaseghi Amiri, M. Alijani Ardeshir

Abstract:

Hydrodynamic pressures acting on upstream of concrete dams during an earthquake are an important factor in designing and assessing the safety of these structures in Earthquake regions. Due to inherent complexities, assessing exact hydrodynamic pressure is only feasible for problems with simple geometry. In this research, the governing equation of concrete gravity dam reservoirs with effect of fluid viscosity in frequency domain is solved and then compared with that in which viscosity is assumed zero. The results show that viscosity influences the reservoir-s natural frequency. In excitation frequencies near the reservoir's natural frequencies, hydrodynamic pressure has a considerable difference in compare to the results of non-viscose fluid.

Keywords: Closed form solution, concrete dams reservoir, viscosity, dynamic loads, hydrodynamic pressure.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2246

Authors: A. Rouili

Abstract:

In the present paper the results of a numerical study are presented, numerical models were developed to simulate the behaviour of vertical massive dikes. The proposed models were developed according to the geometry, boundary conditions, loading conditions and initial conditions of a physical model taken as reference. The results obtained were compared to the experimental data. As far as the overall behaviour, the displacements and the failure mechanisms of the dikes is concerned, the numerical results were in good agreement with the experimental results, which clearly indicates a good quality of numerical modelling. The validated numerical models were used in a parametric study were the displacements and failure mechanisms were fully investigated. Out of the results obtained, some conclusions and recommendations related to the design of massive dikes are proposed.

Keywords: Water conservation, dikes, risk assessment and numerical modelling.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1547

Authors: M. Yoshikawa, N. Tsuji, T. Yabuuchi, Y Shimomura, H. Kakigi, H. Hayashi, H. Ohgushi

Abstract:

A scaffold is necessary for tooth regeneration because of its three-dimensional geometry. For restoration of defect, it is necessary for the scaffold to be prepared in the shape of the defect. Sponges made from polyvinyl alcohol with formalin cross-linking (PVF sponge) have been used for scaffolds for bone formation in vivo. To induce osteogenesis within the sponge, methods of growing rat bone marrow cells (rBMCs) among the fiber structures in the sponge might be considered. Storage of rBMCs among the fibers in the sponge coated with dextran (10 kDa) was tried. After seeding of rBMCs to PVF sponge immersed in dextran solution at 2 g/dl concentration, osteogenesis was recognized in subcutaneously implanted PVF sponge as a scaffold in vivo. The level of osteocalcin was 25.28±5.71 ng/scaffold and that of Ca was 129.20±19.69 µg/scaffold. These values were significantly higher than those in sponges without dextran coating (p<0.01). Osteogenesis was induced in many spaces in the inner structure of the sponge with dextran coated fibers.

Keywords: Dextran, Polyvinyl formal sponge, Osteogenesis, Scaffold.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1542

Authors: Majid Tolouei-Rad, Ankit Shah

Abstract:

Drilling is the most common machining operation and it forms the highest machining cost in many manufacturing activities including automotive engine production. The outcome of this operation depends upon many factors including utilization of proper cutting tool geometry, cutting tool material and the type of coating used to improve hardness and resistance to wear, and also cutting parameters. With the availability of a large array of tool geometries, materials and coatings, is has become a challenging task to select the best tool and cutting parameters that would result in the lowest machining cost or highest profit rate. This paper describes an algorithm developed to help achieve good performances in drilling operations by automatically determination of proper cutting tools and cutting parameters. It also helps determine machining sequences resulting in minimum tool changes that would eventually reduce machining time and cost where multiple tools are used.

Keywords: Cutting tool, drilling, machining, algorithm.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3349

Authors: A. Vairis, M. Petousis, B. Kandyla, C. Chrisoulakis

Abstract:

The human knee joint has a three dimensional geometry with multiple body articulations that produce complex mechanical responses under loads that occur in everyday life and sports activities. To produce the necessary joint compliance and stability for optimal daily function various menisci and ligaments are present while muscle forces are used to this effect. Therefore, knowledge of the complex mechanical interactions of these load bearing structures is necessary when treatment of relevant diseases is evaluated and assisting devices are designed. Numerical tools such as finite element analysis are suitable for modeling such joints in order to understand their physics. They have been used in the current study to develop an accurate human knee joint and model its mechanical behavior. To evaluate the efficacy of this articulated model, static load cases were used for comparison purposes with previous experimentally verified modeling works drawn from literature.

Keywords: biomechanics, finite element modeling, knee joint

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1979

Authors: A. Greco, N. Mammone, F.C. Morabito, M.Versaci

Abstract:

This paper is mainly concerned with the application of a novel technique of data interpretation for classifying measurements of plasma columns in Tokamak reactors for nuclear fusion applications. The proposed method exploits several concepts derived from soft computing theory. In particular, Artificial Neural Networks and Multi-Class Support Vector Machines have been exploited to classify magnetic variables useful to determine shape and position of the plasma with a reduced computational complexity. The proposed technique is used to analyze simulated databases of plasma equilibria based on ITER geometry configuration. As well as demonstrating the successful recovery of scalar equilibrium parameters, we show that the technique can yield practical advantages compared with earlier methods.

Keywords: Tokamak, Classification, Artificial Neural Network, Support Vector Machines.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1277

Authors: Awais Ahmad Khan, Emad Abouel Nasr, H. M. A. Hussein, Abdulrahman Al-Ahmari

Abstract:

Sheet-metal parts have been widely applied in electronics, communication and mechanical industries in recent decades; but the advancement in sheet-metal part design and manufacturing is still behind in comparison with the increasing importance of sheet-metal parts in modern industry. This paper presents a methodology for automatic extraction of some common 2D internal sheet metal features. The features used in this study are taken from Unipunch ™ catalogue. The extraction process starts with the data extraction from STEP file using an object oriented approach and with the application of suitable algorithms and rules, all features contained in the catalogue are automatically extracted. Since the extracted features include geometry and engineering information, they will be effective for downstream application such as feature rebuilding and process planning.

Keywords: Feature Extraction, Internal Features, Punch Shapes, Sheet metal, STEP.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2090

Authors: M. Shanmugapriya, M. A. Maluk Mohamed, J. William

Abstract:

A wireless sensor network (WSN) is a collection of sensor nodes organized into a cooperative network. These nodes communicate through a wireless antenna. Reduction in physical size and multiband operation is an important requirement of WSN antenna. Fractal antenna is used for miniaturization and multiband operation. The self-similar or self-affine and space filling property of fractal geometry increases the effective electrical length of the antenna, reduces the size and make them frequency independent. This paper elaborates on Dual band fractal antenna with Coplanar Waveguide (CPW) feed for WSN. The proposed antenna is designed on a FR4 substrate with the dimension of 27mm x 28.5mm x 1.6mm, resonates at 2.4GHz and 5.2GHz with a return loss less than -10dB. The design and simulation process is carried out using IE3D simulation software. The simulated and measured results are found in good agreement.

Keywords: CPW, Fractal, Iterations, Miniaturization, Space filling, Self Similar, WSN, WLAN.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2470

Authors: T. Banerjee, R. A. Christian

Abstract:

Three dimensional simulations are carried out to estimate the effect of wind direction, wind speed and geometry on the flow and dispersion of vehicular pollutant in a street canyon. The pollutant sources are motor vehicles passing between the two buildings. Suitable emission factors for petrol and diesel vehicles at varying vehicle speed are used for the estimation of the rate of emission from the streets. The dispersion of automobile pollutant released from the street is simulated by introducing vehicular emission source term as a fixed-flux boundary condition at the ground level over the road. The emission source term is suitably calculated by adopting emission factors from literature for varying conditions of street traffic. It is observed that increase in wind angle disturbs the symmetric pattern of pollution distribution along the street length. The concentration increases in the far end of the street as compared to the near end.

Keywords: Street canyon, pollution dispersion, vehicular emission, numerical simulation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1808

Authors: Hadi Farhadian, Homayoon Katibeh

Abstract:

In this paper, groundwater seepage into Amirkabir tunnel has been estimated using analytical and numerical methods for 14 different sections of the tunnel. Site Groundwater Rating (SGR) method also has been performed for qualitative and quantitative classification of the tunnel sections. The obtained results of above mentioned methods were compared together. The study shows reasonable accordance with results of the all methods unless for two sections of tunnel. In these two sections there are some significant discrepancies between numerical and analytical results mainly originated from model geometry and high overburden. SGR and the analytical and numerical calculations, confirm high concentration of seepage inflow in fault zones. Maximum seepage flow into tunnel has been estimated 0.425 lit/sec/m using analytical method and 0.628 lit/sec/m using numerical method occured in crashed zone. Based on SGR method, six sections of 14 sections in Amirkabir tunnel axis are found to be in "No Risk" class that is supported by the analytical and numerical seepage value of less than 0.04 lit/sec/m.

Keywords: Water Seepage, Amirkabir Tunnel, Analytical Method, DEM, SGR.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3958

Authors: M. Bagheri, P. Mottaghizadeh

Abstract:

Reliable information about tool temperature distribution is of central importance in metal cutting. In this study, tool-chip interface temperature was determined in cutting of ST37 steel workpiece by applying HSS as the cutting tool in dry turning. Two different approaches were implemented for temperature measuring: an embedded thermocouple (RTD) in to the cutting tool and infrared (IR) camera. Comparisons are made between experimental data and results of MSC.SuperForm and FLUENT software. An investigation of heat generation in cutting tool was performed by varying cutting parameters at the stable cutting tool geometry and results were saved in a computer; then the diagrams of tool temperature vs. various cutting parameters were obtained. The experimental results reveal that the main factors of the increasing cutting temperature are cutting speed (V ), feed rate ( S ) and depth of cut ( h ), respectively. It was also determined that simultaneously change in cutting speed and feed rate has the maximum effect on increasing cutting temperature.

Keywords: Cutting parameters, Finite element modeling, Temperature measurement, Tool-chip interface temperature.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2934

Authors: D.Katherasan, Madana Sashikant, S.Sandeep Bhat, P.Sathiya

Abstract:

Bead-on-plate welds were carried out on AISI 316L (N) austenitic stainless steel (ASS) using flux cored arc welding (FCAW) process. The bead on plates weld was conducted as per L25 orthogonal array. In this paper, the weld bead geometry such as depth of penetration (DOP), bead width (BW) and weld reinforcement (R) of AISI 316L (N) ASS are investigated. Taguchi approach is used as statistical design of experiment (DOE) technique for optimizing the selected welding input parameters. Grey relational analysis and desirability approach are applied to optimize the input parameters considering multiple output variables simultaneously. Confirmation experiment has also been conducted to validate the optimized parameters.

Keywords: bead-on-plate welding, bead profiles, desirability approach, grey relational analysis

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2397

Authors: Elham Zamiri

Abstract:

In this research, we have focused on numeral simulation of a fuel rod in order to examine distribution of heat temperature in components of fuel rod by Fluent software by providing steady state, single phase fluid flow, frequency heat flux in a fuel rod in nuclear reactor to numeral simulation. Results of examining different layers of a fuel rod consist of fuel layer, gap, pod, and fluid cooling flow, also examining thermal properties and fluids such as heat transition rate and pressure drop. The obtained results through analytical method and results of other sources have been compared and have appropriate correspondence. Results show that using heavy water as cooling fluid along with few layers of gas and pod have the ability of reducing the temperature from above 300 ^◦C to 70 ^◦C. This investigation is developable for any geometry and material used in the nuclear reactor.

Keywords: Nuclear fuel fission, numberal simulation, fuel rod, reactor, fluent software.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 713

Authors: Huang Shengqin, Xiao Hong

Abstract:

LES with mixed subgrid-scale model has been used to simulate aerodynamic performance of hypersonic configuration. The simulation was conducted to replicate conditions and geometry of a model which has been previously tested. LES Model has been successful in predict pressure coefficient with the max error 1.5% besides afterbody. But in the high Mach number condition, it is poor in predict ability and product 12.5% error. The calculation error are mainly conducted by the distribution swirling. The fact of poor ability in the high Mach number and afterbody region indicated that the mixed subgrid-scale model should be improved in large eddied especially in hypersonic separate region. In the condition of attach and sideslip flight, the calculation results have waves. LES are successful in the prediction the pressure wave in hypersonic flow.

Keywords: Hypersonic, LES, mixed Subgrid-scale model, experiment.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1571

Authors: M.Heenaye-Mamode Khan, R.K. Subramanian, N. A. Mamode Khan

Abstract:

The quest of providing more secure identification system has led to a rise in developing biometric systems. Dorsal hand vein pattern is an emerging biometric which has attracted the attention of many researchers, of late. Different approaches have been used to extract the vein pattern and match them. In this work, Principle Component Analysis (PCA) which is a method that has been successfully applied on human faces and hand geometry is applied on the dorsal hand vein pattern. PCA has been used to obtain eigenveins which is a low dimensional representation of vein pattern features. Low cost CCD cameras were used to obtain the vein images. The extraction of the vein pattern was obtained by applying morphology. We have applied noise reduction filters to enhance the vein patterns. The system has been successfully tested on a database of 200 images using a threshold value of 0.9. The results obtained are encouraging.

Keywords: Biometric, Dorsal vein pattern, PCA.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1894

Authors: S. A. Ahmadi, S. Sharif, R. Jamshidi

Abstract:

In this article, the flow behavior around a NACA 0012 airfoil which is oscillating with different Reynolds numbers and in various amplitudes has been investigated numerically. Numerical simulations have been performed with ANSYS software. First, the 2- D geometry has been studied in different Reynolds numbers and angles of attack with various numerical methods in its static condition. This analysis was to choose the best turbulent model and comparing the grids to have the optimum one for dynamic simulations. Because the analysis was to study the blades of wind turbines, the Reynolds numbers were not arbitrary. They were in the range of 9.71e5 to 22.65e5. The angle of attack was in the range of -41.81° to 41.81°. By choosing the forward wind speed as the independent parameter, the others like Reynolds and the amplitude of the oscillation would be known automatically. The results show that the SST turbulent model is the best choice that leads the least numerical error with respect the experimental ones. Also, a dynamic stall phenomenon is more probable at lower wind speeds in which the lift force is less.

Keywords: Dynamic stall, Numerical simulation, Wind turbine, Turbulent Model

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2005

Authors: Nhon Van Do, Nam Hoai Le, Vien Chan Luong

Abstract:

The Model for Knowledge Base of Computational Objects (KBCO model) has been successfully applied to represent the knowledge of human like Plane Geometry, Physical, Calculus. However, the original model cannot easyly apply in inorganic chemistry field because of the knowledge specific problems. So, the aim of this article is to introduce how we extend the Computional Object (Com-Object) in KBCO model, kinds of fact, problems model, and inference algorithms to develop a program for solving problems in inorganic chemistry. Our purpose is to develop the application that can help students in their study inorganic chemistry at schools. This application was built successful by using Maple, C# and WPF technology. It can solve automatically problems and give human readable solution agree with those writting by students and teachers.

Keywords: artificial intelligence, automated problem solving, knowledge base system, knowledge representation, reasoning strategy, education software/educational applications.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2476

Authors: H. Golchoobian, S. Saedodin, M. H. Taheri, A. Sarafraz

Abstract:

In this paper, natural convection in an attic is numerically investigated. The geometry of the problem is considered to be a triangular enclosure. ANSYS Fluent software is used for modeling and numerical solution. This study is for steady state. Four right-angled triangles with height to base ratios of 2, 1, 0.5 and 0.25 are considered. The behavior of various parameters related to its performance, including temperature distribution and velocity vectors are evaluated, and graphs for the Nusselt number have been drawn. Also, in this study, the effect of geometric shape of enclosure with different height-to-base ratios has been evaluated for three types of boundary conditions of winter, summer day and one another state. It can be concluded that as the bottom side temperature and ratio of base to height of the enclosure increases, the convective effects become more prominent and circulation happened.

Keywords: Enclosure, natural convection, numerical solution, Nusselt number, triangular.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 777

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

Abstract:

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

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

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1621

Authors: Amin Abedi, Naser Vosoughi, Mohammad Bagher Ghofrani

Abstract:

Double heterogeneity of randomly located pebbles in the core and Coated Fuel Particles (CFPs) in the pebbles are specific features in pebble bed reactors and usually, because of difficulty to model with MCNP code capabilities, are neglected. In this study, characteristics of HTR-10, Tsinghua University research reactor, are used and not only double heterogeneous but also truncated CFPs and Pebbles are considered.Firstly, 8335 CFPs are distributed randomly in a pebble and then the core of reactor is filled with those pebbles and graphite pebbles as moderator such that 57:43 ratio of fuel and moderator pebbles is established.Finally, four different core configurations are modeled. They are Simple Cubic (SC) structure with truncated pebbles,SC structure without truncated pebble, and Simple Hexagonal(SH) structure without truncated pebbles and SH structure with truncated pebbles. Results like effective multiplication factor (Keff), critical height,etc. are compared with available data.

Keywords: Double Heterogeneity, HTR-10, MCNP, Pebble Bed Reactor, Stochastic Geometry.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2853

Authors: A. Aarabzadeh, R. Hizaji

Abstract:

Reinforced Concrete (RC) deep beams are a special type of beams due to their geometry, boundary conditions, and behavior compared to ordinary shallow beams. For example, assumption of a linear strain-stress distribution in the cross section is not valid. Little study has been dedicated to fixed-end RC deep beams. Also, most experimental studies are carried out on simply supported deep beams. Regarding recent tendency for application of deep beams, possibility of using fixed-ended deep beams has been widely increased in structures. Therefore, it seems necessary to investigate the aforementioned structural element in more details. In addition to experimental investigation of a concrete deep beam under cyclic load, different failure mechanisms of fixed-ended deep beams under this type of loading have been evaluated in the present study. The results show that failure mechanisms of deep beams under cyclic loads are quite different from monotonic loads.

Keywords: Deep beam, cyclic load, reinforced concrete, fixed-ended.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1150

Authors: Mala Nath, Nagamani Kompelli, Partha Roy, Snehasish Das

Abstract:

Two new metal-based anticancer chemotherapeutic agents, [(Ph2Sn)2(HGuO)2(phen)Cl2] 1 and [(Ph3Sn)(HGuO)(phen)]- Cl.CH3OH.H2O 2, were designed, prepared and characterized by analytical and spectral (IR, ESI-Mass, 1H, 13C and 119Sn NMR) techniques. The proposed geometry of Sn(IV) in 1 and 2 is distorted octahedral and distorted trigonal-bipyramidal, respectively. Both 1 and 2 exhibit potential cytotoxicity in vitro against MCF-7, HepG-2 and DU-145 cell lines. The intrinsic binding constant (Kb) values of 1 (2.33 × 105 M-1) and 2 (2.46 × 105 M-1) evaluated from UV-Visible absorption studies suggest non-classical electrostatic mode of interaction via phosphate backbone of DNA double helix. The Stern- Volmer quenching constant (Ksv) of 1 (9.74 × 105 M-1) and 2 (2.9 × 106 M-1) determined by fluorescence studies suggests the groove binding and intercalation mode for 1 and 2, respectively. Effective cleavage of pBR322 DNA is induced by 1.Their interaction with DNA of cancer cells may account for potency.

Keywords: Anticancer agents, DNA binding studies, NMR spectroscopy, organotin.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2773

Authors: Marios Poulos, Sozon Papavlasopoulos, V. S. Belesiotis

Abstract:

In the proposed method for Web page-ranking, a novel theoretic model is introduced and tested by examples of order relationships among IP addresses. Ranking is induced using a convexity feature, which is learned according to these examples using a self-organizing procedure. We consider the problem of selforganizing learning from IP data to be represented by a semi-random convex polygon procedure, in which the vertices correspond to IP addresses. Based on recent developments in our regularization theory for convex polygons and corresponding Euclidean distance based methods for classification, we develop an algorithmic framework for learning ranking functions based on a Computational Geometric Theory. We show that our algorithm is generic, and present experimental results explaining the potential of our approach. In addition, we explain the generality of our approach by showing its possible use as a visualization tool for data obtained from diverse domains, such as Public Administration and Education.

Keywords: Computational Geometry, Education, e-Governance, Semantic Web.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1755