• Journal of the Korean Physical Society
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• v.73 no.9
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• pp.1315-1323
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• 2018

The classical-fluids density functional theory has been developed for studying the structural and the electrical properties of electrolyte solutions containing uniformly charged hard-spherical ions. The modified fundamental-measure theory has been used to evaluate the hard-sphere contribution. The mean-field approximation has been employed to calculate the cross correlation between the hard sphere contribution and the Coulomb interaction. The Poisson equation for ions carrying charges that are spatially separated has been solved. The present theory shows reasonably good agreement with the corresponding Monte Carlo simulation results. The calculated results show that the attraction between like-charged planar surfaces is the result of the intra-ionic correlation and depends strongly on the ion size, valence, mole fraction, and charge distribution of electrolytes.

• Applied Microscopy
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• v.47 no.3
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• pp.105-109
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• 2017

The effect of temperature and vanadium metal concentration on the electronic and thermoelectric properties of Si in the diamond cubic structure has been investigated using a combination of density functional theory simulations and the semi classical Boltzmann's theory. The BotzTrap code within the constant relaxation time approximation has been used to obtain the Seebeck coefficient and other transport properties of interest for alloys of the structure $Si_{1-x}V_x$, where x is 0, 0.125, 0.25, 0.375, and 0.5. The thermoelectric properties have been extracted for a temperature range of 300 K to 1,000 K. The general trend with V atom substitution for Si causes the Seeback coefficient to increase and the thermal conductivity to decrease for the various alloys. The optimum values are for $Si_5V_3$ and $Si_4V_4$ alloys for charge carrier concentrations of $10^{21}cm^{-3}$ in the mid temperature range of 500~800 K. This is a very desirable effect for a promising thermoelectric and the figure of merit ZT approaches 0.2 at 600 K for the p-type $Si_5V_3$ alloy.

• Journal of the Korean Chemical Society
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• v.21 no.5
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• pp.362-371
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• 1977

In this paper application of the projection operator technique to the study of NMR absorption line shape and free induction decay curve is explored. It is found that the projection operator technique can provide a convenient means for deriving a set of hierarchy equations which may serve as a good starting point for theoretical calculation of the absorption line and free induction decay function by successive approximation or by an appropriate decoupling approximation. A brief review of linear response theory of NMR line shape and the relation between the absorption line shape and free induction decay function are also described.

• The Journal of Korean Institute of Electromagnetic Engineering and Science
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• v.10 no.2
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• pp.180-186
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• 1999

Conformal methods such as staircase approximation and effective medium theory have been used to model arbitrary dielectric surfaces in Cartesian FDTD(finite-difference time-domain) grids. However, the staircase approximation doesn't guarantee accurate results and the effective medium theory cannot be applied for frequency dispersive medium. In this paper, a simple conformal method is introduced for analyzing arbitrary dielectric surfaces. These arbitrarily shaped dielectric surfaces make nonuniformly filled FDTD cells. E(H)-field in a nonuniformly filled FDTD cell is calculated by considering the cell as the combination of two kinds of uniformly filled cells whose material boundaries are normal and parallel to the E(H)-field in the cell. TM scattering from a rotated 2-D dielectric and a ferrite square cylinder is analyzed to show the accuracy of the proposed method.

• KSCE Journal of Civil and Environmental Engineering Research
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• v.11 no.2
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• pp.77-89
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• 1991

Based on Boussinesq equation, the parabolic approximation equation is used to analyse the propagation of shallow water waves with currents over slowly varying depth. Rip currents (jet-like) occur mainly in shallow waters where the Ursell parameter significatly exceeds the range of application of Stokes wave theory. We employ the nonlinear parabolic approximation equation which is valid for waves of large Ursell parameters and small scale currents. Two types of currents are considered; relatively strong and relatively weak currents. The wave propagating over rip currents on a sloping bottom experiences a shoaling due to the variations of depth and current velocity as well as refraction and diffraction due to the vorticity of currents. Numerical analyses for a nonlinear theory are valid before the breaking point.

• Korean Chemical Engineering Research
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• v.56 no.6
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• pp.909-913
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• 2018

A hydrocarbon trap (HT) plays an important role of controlling vehicle emissions in the so-called cold emission period by holding hydrocarbons until three way catalysts (TWCs) are thermally activated. In this study, we have investigated the adsorption characteristics of cation (H, La, K, and Ag)-exchanged ZSM-5 zeolites for hydrocarbons (propylene, n-butane, and toluene) by DFT (density functional theory)-based computational chemistry. Cation exchange is to improve the hydrothermal stability of zeolites and their adsorption capacity, thereby rendering cation-exchanged zeolites promising materials for HT. The idea of cluster approximation makes the calculation of adsorption energies superbly efficient in computation. The results showed that Ag-exchanged ZSM-5 would be the best for the adsorption of all three adsorbates, without often encountered Ag oxidation in experiments. Besides, the hydrothermal stability of La-exchanged ZSM-5 was confirmed from the change of geometrical parameters by cation exchange, and it showed good adsorption capacity for propylene and toluene. Hydrogen-exchanged ZSM-5 was also good for hydrogen adsorption, but had poor hydrothermal stability.

• Journal of Ocean Engineering and Technology
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• v.36 no.1
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• pp.11-20
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• 2022

Generally, tsunamis are generated by the rapid crustal movements of the ocean floor. Other factors of tsunami generation include landslides on coastal and ocean floor slopes, glacier collapses, and meteorite collisions. In this study, two numerical analyses were conducted to examine the formation, propagation, and deformation properties of landslide tsunamis. First, LS-DYNA was adopted to simulate the formation and propagation processes of tsunamis generated by dropping rigid bodies. The generated tsunamis had smaller wave heights and wider waveforms during their propagation, and their waveforms and flow velocities resembled those of theoretical solitary waves after a certain distance. Second, after the formation of the landslide tsunami, a tsunami based on the solitary wave approximation theory was generated in a numerical wave tank (NWT) with a computational domain that considered the stability/steady phase. The comparison of two numerical analysis results over a certain distance indicated that the waveform and flow velocity were approximately equal, and the maximum wave pressures acting on the upright wall also exhibited similar distributions. Therefore, an effective numerical model such as LS-DYNA was necessary to analyze the formation and initial deformations of the landslide tsunami, while an NWT with the wave generation method based on the solitary wave approximation theory was sufficient above a certain distance.

• Nuclear Engineering and Technology
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• v.52 no.4
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• pp.681-688
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• 2020

The telegrapher's theory was used to develop a new formulation for the neutron noise equation. Telegrapher's equation is supposed to demonstrate a more realistic approximation for neutron transport phenomena, especially in comparison to the diffusion theory. The physics behind such equation implies that the signal propagation speed is finite, instead of the infinite as in the case of ordinary diffusion. This paper presents the theory and results of the development of a new method for calculation of the neutron noise using the telegrapher's equation as its basis. In order to investigate the differences and strengths of the new method against the diffusion based neutron noise, a comparison was done between the behaviors of two methods. The neutron noise based on SN transport considered as a precision measuring point. The Green's function technique was used to calculate the neutron noise based on telegrapher's and diffusion methods as well as the transport. The amplitude and phase of Green's function associated with the properties of the medium and frequency of the noise source were obtained and their behavior was compared to the results of the transport. It was observed, the differences in some cases might be considerable. The effective speed of propagation for the noise perturbations were evaluated accordingly, resulting in considerable deviations in some cases.

• Journal of the Korean Institute of Intelligent Systems
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• v.21 no.5
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• pp.653-659
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• 2011

In general, electrocardiogram(ECG) signals are sampled with a frequency over 200Hz and stored for a long time. It is required to compress data efficiently for storing and transmitting them. In this paper, a method for compression of ECG data is proposed, using by Non Uniform B-spline approximation, which has been widely used to approximation theory of applied mathematics and geometric modeling. ECG signals are compressed and reconstructed using B-spline basis function which curve has local controllability and control a shape and curve in part. The proposed method selected additional knot with each step for minimizing reconstruction error and reduced time complexity. It is established that the proposed method using B-spline approximation has good compression ratio and reconstruct besides preserving all feature point of ECG signals, through the experimental results from MIT-BIH Arrhythmia database.

• Journal of KIISE:Computer Systems and Theory
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• v.30 no.5_6
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• pp.319-323
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• 2003

Let P be a set of n points in the plane. A minimum spanning tree(MST) is a spanning tree connecting n points of P such that the sum of lengths of edges of the tree is minimized. A diameter of a tree is the maximum length of paths connecting two points of a spanning tree of P. The problem considered in this paper is to compute the spanning tree whose diameter is minimized over all spanning trees of P. We call such tree a minimum-diameter spanning tree(MDST). The best known previous algorithm[3] finds MDST in $O(n^2)$ time. In this paper, we suggest an approximation algorithm to compute a spanning tree whose diameter is no more than 5/4 times that of MDST, running in O(n$^2$log$^2$n) time. This is the first approximation algorithm on the MDST problem.