• Proceedings of the KIEE Conference
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• 1995.07a
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• pp.89-91
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• 1995

This paper deals with calculation of surface charge density on current carrying conductors by FEM. The proposed algorithm is formulated by equation of continutity in conductor region and maxwell's equations outside, respectively, Surface charge density is calculated by electric scalar potential and boundary condition for electrostatic fields.

• Journal of the Korean Applied Science and Technology
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• v.33 no.3
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• pp.492-497
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• 2016

The intermediate product resulting from the radical degradation experiment of PCE and the atomic charge gained through Gaussian03W were compared against each other. The result was that the ratio of PCE radical degradation was almost 98% or higher after the 9 hr point in reaction time. The reaction speed constant was $0.16hr^{-1}$ and it followed the first reaction. We could see that at each location of the PCE molecule, dechlorination happened at a point where the negative atomic charge was the greatest. Moreover, the intermediate product of PCE radical degradation that was confirmed in the experiment and literature coincided exactly with the intermediate product in the atomic charge calculation. Therefore, when the atomic charge is calculated, the radical degradation pathway of the organic chlorine compound could be forecast.

• 전기의세계
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• v.30 no.9
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• pp.589-593
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• 1981

Anumerical method for the calculation of electric fields with two-dielectric media is described. The basis of the method is the use of fictitious charges as a particular solution of Laplace's (and Poisson's) equations. Simple examples were chosen for the explanation of the method and the close agreement between calculated and analytical values was obtained. It has been shown that the charge simulation method is better in calculation time and accuracy.

• Proceedings of the Korean Institute of IIIuminating and Electrical Installation Engineers Conference
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• 2000.11a
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• pp.179-182
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• 2000

This paper investigates characteristics of spiral charge for charge simulation method to calculate electric fields of spiral conductor bundles with spiral rods in 765 kV transmission line. We finds the simulating spiral charge as constant charge density give less potential calculation error than sinusoidal charge density. When a spiral rod is simulated as spiral charge, we also knows two spiral charge can simulate spiral rod best.

• JSTS:Journal of Semiconductor Technology and Science
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• v.13 no.5
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• pp.530-537
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• 2013

An explicit surface potential calculation method of gate-all-around MOSFET (GAAMOSFET) devices which takes into account both interface trap charge and varying doping levels is presented. The results of the method are extensively verified by numerical simulation. Results from the model are used to find qualitative and quantitative effect of interface trap charge on subthreshold slope (SS) of GAAMOSFET devices. Further, design constraints of GAAMOSFET devices with emphasis on the effect of interface trap charge on device SS performance are investigated.

• Journal of the Korean Applied Science and Technology
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• v.39 no.4
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• pp.535-541
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• 2022

The radical reaction position was calculated by varying the calculation level for ACEL and ANT, which are detected with the highest frequency and concentration in PAHs pollution sites. The results of each calculation level were compared and evaluated with the existing literature. HF, B3LYP, B3LYP-D, and MP2 were used as the method for each level used for calculation. Except for HF, the MK charge by B3LYP, B3LYP-D, and MP2 was consistent with the experimental results. It was found that the dispersion effect was negligible in the calculation of ACEL and ANT because the calculation results by the B3LYP and B3LYP-D methods were the same. In particular, it was found that the MK charge calculation result by MP2 agrees well with the product/PAH ratio obtained as a result of the experiment. Considering the calculation cost, it would be preferable to use B3LYP to predict the radical reaction site of ACEL and ANT. However, considering the product/PAH ratio, it takes more time to calculate, but it is judged that it is better to use the MP2.

• Journal of Integrative Natural Science
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• v.3 no.4
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• pp.226-230
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• 2010

Calculation of partial charge is important in chemistry. However, because there are many methods developed, it is of considerable interest to know how to calculate and apply properly to address various chemical problems. For basis set, usually double zeta quality is acceptable, and double zeta polarization function would be enough for most cases. To describe electronic state more accurately, Many electron configurations would be necessary to describe highly strained or anionic species. The NPA population introduced new concept about amide bonds, i.e., the planar geometry of nitrogen atom may not come from resonance, but from the lowering of p-orbital energy by electronegative carbonyl carbon atom. The issues for hypervalent atomic charges was also addressed by various charge derivation scheme. When the charge schemes were applied to organolithium compounds, the ionic nature of boding was revealed. This comes from the fact that previous Mulliken partial atomic charges overemphasized the covalent character, wihout much justification. The other partial charge derivation schemes such as NPA(natural population analysis), IPP (Integrated Projected Population) showed that much more ionic picture. ESP potential derived charges are generally believed to be suitable to describe intermolecular interactions, therefore they are used for molecular dynamics simulations and CoMFA (comparative molecular field analysis). The charge derivation schemes using multipole polarization was mainly applied to reproduce experimental infrared spectroscopy. In some reports these schemes are also suitable for intermecular electrostatic interactions. Charges derived from electron density gradient have shown the some bonds are not straight, but actually bent. The proper choice of charge-calculation method along with suitable level of theory and basis set are briefly discussed.

• Proceedings of the KIEE Conference
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• 1996.07c
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• pp.1804-1806
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• 1996

For the rather complicated and time-consuming three-dimensional electric field calculation in the vicinity of substations, this paper proposes a numerical calculation method based on charge simulation method(CSM). In order to represent non-uniform charge distribution on an electrode better, it is subdivided into small segments with linear charge density. Non-uniform arrangement of subdivided segments makes it possible to obtain high accuracy with a small number of variables. As for the arrangement of subdivided segments, effective formulars were derived from multiple regression analysis of many simulations. These formulars make the arrangement of segments fast and effective. The proposed method is applied to the electric field calculation around the 345kV Sinmasan Substation busbars and the distribution of calculated electric fields is compared with that of the measured electric fields.

• The Transactions of the Korean Institute of Electrical Engineers
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• v.32 no.9
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• pp.297-304
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• 1983

This paper deals with the electric fileds calculation by combination of finite element method and charge simulation method. Since this method has the advantage of both F.E.M and C.S.M.the application of this method is more useful for the caleulation of non-enclosed fields, multi-dielectric fields, space charge fields and so on. On the basis of this method, computer programs for the calculation of two-demensional and axisymmetric fields were developed. This paper shows that the calculation results are accurately abtained through several examples.

• Analytical Science and Technology
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• v.8 no.3
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• pp.383-389
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• 1995

A new approach for the measurement of the surface coverages of monomolecular films fabricated by spontaneous adsorption of thiol compounds on gold is described. It is based on the mass change measurement with EQCM for the reductive electrochemical desorption of thiol in aqueous KOH solution. The results were compared with that of charge calculation during electrochemical desorption. The surface coverage value for eicosanethiol agrees with that obtained by charge calculation of electrochemical reduction as well as that expected from a geometrical model of the compact monolayer.