• Journal of the Korean Chemical Society
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• v.57 no.1
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• pp.99-103
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• 2013

The present communication deals with the Pharmacophore modeling, 3D QSAR and docking analysis on series of Pyrimidine derivatives as potential calcium channel blockers. The computational studies showed hydrogen bond donor, hydrogen bond acceptor, and hydrophobic group are important features for calcium channel blocking activity. These studies showed that Pyrimidine scaffold can be utilized for designing of novel calcium channels blockers for CVS disorders.

• Journal of applied mathematics & informatics
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• v.37 no.5_6
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• pp.429-442
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• 2019

This article addresses the influence of partial slip condition in the hydromagnetic flow of Burgers fluid in a rotating frame of reference.The flows are induced by oscillation of a boundary. Two problems for oscillatory flows are considered. Exact solutions to the resulting boundary value problems are constructed. Analysis has been carried out in the presence of magnetic field. Physical interpretation is made through the plots for various embedded parameters.

• Journal of the Institute of Convergence Signal Processing
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• v.23 no.1
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• pp.15-20
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• 2022

An improvement of computational resources with a large scale cluster service is available to the individual person, which has been limited to the original industry and research institute. Therefore, the application of powerful computational resources to the engineering design has been increased fast. In naval and marine industry, the application of Computational Fluid Dynamics, which requires a huge computational effort, to a design of ship and offshore structure has been increased. Floating bodies such as the ship or offshore structure is exposed to ocean waves, current and wind in the ocean, therefore the precise modelling of those environmental disturbances is important in Computational Fluid Dynamics. Especially, ocean waves has to be nonlinear rather than the linear model based on the superposition due to a nonlinear characteristics of Computational Fluid Dynamics. In the present study, a fast reconstruction technique is suggested and it is validated from a series of simulations by using the Computational Fluid Dynamics.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 1994.10a
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• pp.113-120
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• 1994

Large Concrete Panel Structures behave quite differently from frame or monolithic shear wall structures because of the weakness of Joint in stiffness and strength. The joint experiences large deformation such as shear-slip in vertical and horizontal joint and rocking and crushing in horizontal joint because of localized stress concentration, but the wall panels behave elastically under cyclic loads. In order to describe the nonlinear behavior of the joint in the analysis of PC structures, different analysis technique from that of RC structures is needed. In this paper, for analysis of large concrete panel subassemblage subjected to cyclic loads, the wall panels are idealized by elastic finite elements, and the joints by nonlinear spring elements with various load-deflection relationship. The analytical results are compared with the experimental results on the strength, stiffness, energy dissipation and lateral drift, and the effectiveness of this computer analysis modelling technique is checked.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 1995.04a
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• pp.53-56
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• 1995

Despite the recent development of structural analysis programs for the CRCP pavements over Westergaard's equations and finite element techniques, the Winkler foundations which are modelled by series of vertical springs at the nodes are generally used for the computer modelling of subbases under the concrete slab. Herewith, two parameter of soil foundation model is adopted as the most convenient mathematical model to enable deflections outside the loaded area to be effected and to upgrade the Winkler foundations. This paper highlights the derivations of finite element method for the two-parameter soil foundation model in the concrete pavements.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 2005.04a
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• pp.201-208
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• 2005

Neuro-Fuzzy modeling approach is proposed to predict the dynamic behavior of a single-degree-of-freedom structure that is equipped with hybrid base isolation system. Hybrid base isolation system consists of friction pendulum systems (FPS) and a magnetorheological (MR) damper. Fuzzy model of the M damper is trained by ANFIS using various displacement, velocity, and voltage combinations that are obtained from a series of performance tests. Modelling of the FPS is carried out with a nonlinear analytical equation that is derived in this study and neuro-fuzzy training. Fuzzy logic controller is employed to control the command voltage that is sent to MR damper. The dynamic responses or experimental structure subjected to various earthquake excitations are compared with numerically simulated results using neuro-fuzzy modeling method. Numerical simulation using neuro-fuzzy models of the MR damper and FPS predict response of the hybrid base isolation system very well.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 1994.04a
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• pp.137-144
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• 1994

In this study, a new procedure for solving 2-D dynamic problems of semi-infinite medium in time domain by boundary element method (BEM) is presented. Efficient modelling of the far field region, infinite boundary elements are introduced. The shape function of the infinite boundary element is a combination of decay functions and Laguerre functions. Though the present shape functions have been developed for the time domain analysis, they may be also applicable to the frequency domain analysis. Through the response analysis in a 2-D half space under a uniformly distributed dynamic load, it has been found that an excellent accuracy can be achieved compared with the analytical solution

• Proceedings of the Computational Structural Engineering Institute Conference
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• 1994.04a
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• pp.73-80
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• 1994

This paper is to study the mechanical behavor and structural safety of the wire-mesh half slab by an analytical method. Layer model was adopted by modelling the wire-mesh half slab as a flexural member composed of free cantilever beam and vertical supports (walls or beams). Reasonable results for the prediction of ultimate strength of the half stab at each loading direction and design recommendations for the reinforcement detail at wall(beam)-slab joints are acquired. On the other hand, ductility capacity of the wire-mesh half slab was overestimated by not considering the brittleness of wire-mesh reinforcements pre-manufactured at the form of Kaiser Truss.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 1996.10a
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• pp.230-238
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• 1996

Recently, square hollow section (S.H.S) is frequently used for column and H-section for beam of steel building structures. The connection between S.H.S column and H-beam is found to weaken the rotational restraint of the joint. Several types of detail to overcome the problem have been suggested for the connection between concrete filled S.H.S column and concrete composited H-bean In this paper, modelling technique to monitor the behavior of the connections is proposed. Then, Drucker-Prager yield criteria is introduced to simulate yield behavior of in-fill concrete while Von-Mises was used in earlier works. Gap-elements are also introduced to simulate the interaction between S.H.S columns and the in-fill concrete as in privious papers. axial forces are applied to S.H.S columns and made to vary in intensity and eccentricity.

• International Journal of CAD/CAM
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• v.6 no.1
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• pp.157-166
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• 2006

In order to model blending surfaces with curvature continuity, in this paper we apply sixth order partial differential equations (PDEs), which are solved with a composite power series based method. The proposed composite power series based approach meets boundary conditions exactly, minimises the errors of the PDEs, and creates almost as accurate blending surfaces as those from the closed form solution that is the most accurate but achievable only for some simple blending problems. Since only a few unknown constants are involved, the proposed method is comparable with the closed form solution in terms of computational efficiency. Moreover, it can be used to construct 3- or 4-sided patches through the satisfaction of continuities along all edges of the patches. Therefore, the developed method is simpler and more efficient than numerical methods, more powerful than the analytical methods, and can be implemented into an effective tool for the generation and manipulation of complex free-form surfaces.