• Bulletin of the Korean Chemical Society
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• v.21 no.10
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• pp.1052-1054
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• 2000

Binding geometries of $[Ru(II)(110-phenanthroline)_2L]^2+$, complexes (where L = dipyrido [3,2-a:2',3'-c]phena-zine (DPPZ) or benzodipyrido[3,2-a:2',3'-c] phenazine (BDPPZ)) to poly(dG)${\cdot}$poly(dC)${\cdot}$poly(dC) + triplex DNA (CGC + triplex) has been investigated by linear dichroism and normal absorption spectroscopy. Analysis of the linear dichroism for the CGC+ triplex and $[Ru(II)(phen)_2BDPPZ]^2+$ complex indicates that the extended ligand of the metal complex lie perpendicular to the polynucleotide helix axis. Together with strong hypochromism and red shift in the interligand absorption region, we concluded that the extended BDPPZ or DPPZ ligand in-tercalated between the bases of polynucleotide. The spectral properties of the metal complexes bound to CGC+ triplex are similar to those bound to $poly(dA)[poly(dT)]^2$ triplex (Choi et al., Biochemistry 1997, 36, 214), sug-gesting that the metal complex is located in the minor groove of the CGC+ triplex.

• Mass Spectrometry Letters
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• v.4 no.4
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• pp.67-70
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• 2013

The Cu-binding site in the $[Cu{\cdot}dCMP{\cdot}dCMP-H]^{1-}$ complex was investigated. The tandem mass (MS/MS) spectra of the [$[Cu{\cdot}dCMP{\cdot}dCMP-H]^{1-}$ parent ion showed $[dCMP{\cdot}Cu{\cdot}H_2PO_4+CONH]^{1-}$ fragment ions. Therefore, we propose that the Cu cation is simultaneously coordinated to the phosphate site and cytosine moiety in the stable geometry of the $[Cu{\cdot}dCMP{\cdot}dCMP-H]^{1-}$ complex. Three geometries for the complex were considered in an attempt to optimize the structure of the $[Cu{\cdot}dCMP{\cdot}dCMP-H]^{1-}$ complex. The ab initio calculations were performed at the $B3LYP/6-311G^{**}$ level.

• Wind and Structures
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• v.12 no.3
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• pp.219-237
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• 2009

This study examines the accuracy of large-eddy simulation (LES) to simulate the flow around a large irregular sloping complex terrain. Typically, real built up environments are surrounded by complex terrain geometries with many features. The complex terrain surrounding The Hong Kong University of Science and Technology campus was modelled and the flow over an uphill slope was simulated. The simulated results, including mean velocity profiles and turbulence intensities, were compared with the flow characteristics measured in a wind tunnel model test. Given the size of the domain and the corresponding constraints on the resolution of the simulation, the mean velocity components within the boundary layer flow, especially in the stream-wise direction were found to be reasonably well replicated by the LES. The turbulence intensity values were found to differ from the wind tunnel results in the building recirculation zones, mostly due to the constraints placed on spatial and temporal resolutions. Based on the validated mean velocity profile results, the flow-structure interactions around these buildings and the surrounding terrain were examined.

• Journal of Mechanical Science and Technology
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• v.15 no.5
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• pp.592-601
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• 2001

An automatic mesh generation scheme with unstructured quadrilateral elements on trimmed NURBS surfaces has been developed. In this paper NURBS surface geometries in the IGES format have been employed to represent geometric models. For unstructured mesh generation with quadrilateral elements, a domain decomposition algorithm employing loop operators has been modified. As for the surface meshing, an indirect 2D approach is proposed in which both quasi-expanded planes and projection planes are employed. Sampled meshes for complex models are presented to demonstrate the robustness of the algorithm.

• Journal of Advanced Marine Engineering and Technology
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• v.18 no.3
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• pp.94-101
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• 1994

To develope the new simulator for the analysis of fluid flow information, the influence of various convective difference schemes were evaluated. General curvilinear coordinate system with nonorthogonal grids was adopted for the successful analysis of various complex geometries. Computation results show that if we can not obtain full grid numbers within available computational environment, we need to use higher order finite difference schemes to keep the prediction accuracy.

• 한국전산유체공학회:학술대회논문집
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• 2003.10a
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• pp.86-87
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• 2003

Unstructured grid system is suitable for flows of complex geometries. For problems with moving boundary walls, the grid system must be changed and deformed with time if we use a body fitted grid system. In this paper, a new moving-grid finite-volume method on unstructured grid system is proposed and developed for unsteady compressible flows with shock waves. To assure geometric conservation laws on moving grid system, a control volume on the space-time unified domain is adopted for estimating numerical flux. The method is described and applied for two-dimensional flows.

• The Transactions of the Korean Institute of Electrical Engineers B
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• v.51 no.5
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• pp.242-248
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• 2002

It is important to develop new effective technologies to increase the interruption capacity and to reduce the size of a UB(Gas Circuit Breakers). Major design parameters such as nozzle geometries and interrupting chamber dimensions affect the cooling of the arc and the breaking performance. But it is not easy to test real GCB model in practice as in theory. Therefore, a simulation tool based on a computational fluid dynamics(CFD) algorithm has been developed to facilitate an optimization of the interrupter. Special attention has been paid to the supersonic flow phenomena between contacts and the observation of hat-gas flow for estimating the breaking performance. However, there are many difficult problems in calculating the flow characteristics in a GCB such as shock wave and complex geometries, which may be either static or in relative motion. Although a number of mesh generation techniques are now available, the generation of meshes around complicated, multi-component geometries like a GCB is still a tedious and difficult task for the computational fluid dynamics. This paper presents the CFD program using CFB-CAD integration technique based on Cartesian cut-cell method, which could reduce researcher's efforts to generate the mesh and achieve the accurate representation of the geometry designed by a CAD tools.

• Proceedings of the KSME Conference
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• 2001.11b
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• pp.523-528
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• 2001

There are many difficult problems in analyzing the flow characteristics in a high voltage circuit breaker such as shock wave and complex geometries, which may be either static or in relative motion. Although a variety of mesh generation techniques are now available, the generation of meshes around complicated, multicomponent geometries like a gas circuit breaker is still a tedious and difficult task for the computational fluid dynamics. This paper presents the computational method for analyzing the compressible flow fields in a high voltage gas circuit breaker using the Cartesian cut-cell method based on the CFD-CAD integration, which can achieve the accurate representation of the geometry designed by a CAD tools. The technique is frequently satisfied, and it will be almost universally so in the future, as the CFD-CAD traffic increases.

• Advances in Computational Design
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• v.5 no.2
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• pp.111-125
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• 2020

The flow behavior of polymer melts within a slit die is an important consideration when designing a die geometry. The quality of the extruded polymer product can be determined through an evaluation of the flow homogeneity, wall shear rate and pressure drop across the central height of the die. However, mathematical formulations cannot fully determine the behavior of the flow due to the complex nature of fluid dynamics and the nonlinear physical properties of the polymer melts. This paper examines two slit die geometries in terms of outlet velocity uniformity, shear rate uniformity at the walls and pressure drop by using the licensed computational fluid dynamics package, Ansys POLYFLOW, based on the finite element method. The Carreau-Yasuda viscosity model was used for the rheological properties of the polypropylene. Comparative analysis of the simulation results will conclude that the modified die design performs better in all three aspects providing uniform exit velocity, uniform wall shear rates, and lower pressure drop.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.23 no.6
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• pp.703-712
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• 1999

This paper suggests an automatic elliptic grid generation method that is well-suited for the numerical mapping of complex geometries which are easily obtained from general CAD programs. An LBLADI solver is used for the governing mapping equations to have the strong diagonal dominance. The full boundary control method is adopted to determine the control functions of the equations, which allows the control of the grid regarding spacing and angle control at all boundary surfaces. The solution method presented here provides the capability of mapping very complicated geometries by defining grid point locations only along the boundaries. In the automated elliptic grid generation procedure, it is showed that strong diagonal dominance is essential to achieve successful mapping irrespective of the initial grid condition provided. To demonstrate the robustness of this method, it is applied to the thermal flow like the natural convection between eccentric cylinders. The results agree well with others.