• Bulletin of the Korean Chemical Society
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• v.24 no.8
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• pp.1111-1118
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• 2003

We present one-color nonlinear wavepacket interferometry (WPI) signal calculations for a system of two electronic levels and one vibrational degree of freedom. We consider two cases, a displaced harmonic oscillator system, which can be treated analytically, and a model photodissociative system, whose WPI signal must be calculated by numerical wavepacket propagation. We show how signals obtained with different combinations of intrapulse-pair phase shifts can be combined to isolate the complex-valued overlap between a given onepulse target wavepacket and a variable three-pulse reference wavepacket. We demonstrate that with a range of inter- and intrapulse-pair delays the complex overlaps and variable reference states can be used to reconstruct the target wavepacket. We compare our results with previous methods for vibronic state reconstruction based on linear WPI and discuss further generalizations of our method.

• Bulletin of the Korean Chemical Society
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• v.29 no.10
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• pp.1898-1904
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• 2008

Study of computational model of the concerted Diels-Alder reaction between 9,10-dimethyl anthracene (as donor) and tetracyanoethylene (as acceptor) in absence and in presence of aromatic solvents (benzene, mesitylene and hexamethylbenzene, as donors) using an AM1 semi-empirical method. AM1 method used to study the neutral charge transfer complex models that could be expected between donor and acceptor during the course of the concerted Diels-Alder reaction. Calculated enthalpies of reaction of the charge transfer complexes models showed physical and chemical meaning for explain the effect of aromatic solvents on the kinetic process of concerted Diels-Alder reaction that contains tetracyanoethylene.

• Journal of Korean Society of Occupational and Environmental Hygiene
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• v.10 no.2
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• pp.78-97
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• 2000

Designing the industrial ventilation system is the complex and time-consuming job. It could generate some errors in the design calculations if one uses the hand-calculator or the spreadsheet program. To overcome these difficulties, VSDS(Ventilation System Design Software) had been developed a few years ago. But, it had the difficulty in designing a complex system having many branches because the user can not see the layout of the system on the screen. Another difficulty is that VSDS had been based on the assumption of the standard air condition. VSDS has thus been improved to overcome the shortcomings of the old version of VSDS.

• 한국전산유체공학회:학술대회논문집
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• 1995.10a
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• pp.90-103
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• 1995

The field of computational fluid dynamics(CFD) is rapidly approaching the stage where viscous flows over complex configurations are solved. However, the situation is not as promising when one considers a more complete configuration. CFD is not a banana, but a onion. The difficulties arise mainly because the task of generating the grids for modeling such complex geometries is tedious. The primary interest of the author is in the area of grid generation, in particular, duct flow calculations typically encountered in the internal flow. Pertinent examples will be cited to demonstrate the feasibility of solving viscous flow over practical duct configurations of current interest on grid topologies.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.28 no.12
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• pp.1600-1607
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• 2004

Performance of a regenerative pump is evaluated based on the calculated through flows using the CFX-TASCflow code. Flow calculations are performed in one vane to vane space of the impeller and side channel. The flow is very complex three dimensional with a strong radial vortex due to centrifugal force and an axial vortex due to re-circulating flow between the impeller and the side channel. Momentum exchange on the plane between the impeller and the side channel are evaluated to estimate design parameters and viscous losses in the pump. The present study contributes to showing the capability of flow simulation of complex flow in the regenerative pump by comparing the calculated performance with the measured value.

• Steel and Composite Structures
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• v.19 no.6
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• pp.1511-1529
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• 2015

This article provides an analysis of the complex character of stress distribution in concrete in stub columns consisting of two HE160A steel sections held together with batten plates and filled with concrete. In such columns, evaluating the effect of concrete confinement and determining the extent of this confinement constitute a substantially complex problem. The issue was considered in close correspondence to rectangular cross section tubular elements filled with concrete, concrete-encased columns, as well as to steel-concrete columns in which reinforcement bars are connected with shackles. In the analysis of concrete confinement in two-chord columns, elements of computational methods developed for different types of composite cross sections were adopted. The achieved analytical results were compared with calculations based on test results.

• Journal of the Korean Chemical Society
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• v.34 no.6
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• pp.539-547
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• 1990

Molecular Orbital calculations using the SC-MEH method have been carried out for the interaction of Adenine, Guanine and Cytosine as DNA base and diaminecytosineplatinum(DCP) in various conformations. The results showed that the order of DCP binding to the DNA bases was guanine > adenine > cytosine and the stabilization energy of cis-isomer was larger than that of trans-isomer in the adenine-DCP complexes system. Furthermore, platinum(II) binding to DNA bases markedly gives rise to change of atomic charge in DNA bases ring, which can explain anti-tumor activity of platinum complex.

• Bulletin of the Korean Chemical Society
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• v.27 no.12
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• pp.2028-2036
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• 2006

The combined ab initio and vibrational predissociation (VP) spectroscopic studies on methylammonium-$(water)_4$ complex aimed at understanding the hydration behavior of an amphiphilic ion core are described. The ab initio calculations predicted eleven low-energy isomers forming cyclic, tripod, chain, and caged structures, and their relative stabilities, total hydration energies and thermodynamic functions at 298 K and 150 K. The excellent correlation between the observed VP spectra and ab initio spectra for bonded N-H, bonded O-H and free O-H stretches suggested co-existence of five cyclic isomers and two non-cyclic isomers in ion beam at 150 K, consistent with the trends of calculated Gibbs free energies.

• Structural Engineering and Mechanics
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• v.8 no.2
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• pp.181-191
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• 1999

This paper presents an investigation of the mode localization and frequency loci veering phenomena in an aircraft with disordered external stores. Two theoretical analyses are carried out to study the occurring mechanism of the two phenomena: condensation technique in the subspace spanned by modes of interest and geometric mapping theory in the complex plane. Two simple criteria for predicting the occurrence of the mode localization and frequency loci veering are put forward. The prediction of the phenomena by our theoretically proposed criteria is in good agreement with that obtained through numerical calculations of characteristic solutions of the disordered system.

• Steel and Composite Structures
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• v.48 no.3
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• pp.293-303
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• 2023

In this paper, geometrically nonlinear free vibration analysis of Mindlin viscoelastic plates with various geometrical and material properties is studied based on the Von-Karman assumptions. A novel solution is proposed in which the nonlinear frequencies of time-dependent plates are predicted according to the nonlinear frequencies of plates not dependent on time. This method greatly reduces the cost of calculations. The viscoelastic properties obey the Boltzmann integral law with constant bulk modulus. The SHPC meshfree method is employed for spatial discretization. The Laplace transformation is used to convert equations from the time domain to the Laplace domain and vice versa. Solving the nonlinear complex eigenvalue problem in the Laplace-Carson domain numerically, the nonlinear frequencies, the nonlinear viscous damping frequencies, and the nonlinear damping ratios are verified and calculated for rectangular, skew, trapezoidal and circular plates with different boundary conditions and different material properties.