• Bulletin of the Korean Chemical Society
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• v.34 no.4
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• pp.1043-1046
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• 2013

Prediction of physicochemical properties of organic molecules is an important process in chemistry and chemical engineering. The MSEP approach developed in our lab calculates the molecular surface electrostatic potential (ESP) on van der Waals (vdW) surfaces of molecules. This approach includes geometry optimization and frequency calculation using hybrid density functional theory, B3LYP, at the 6-31G(d) basis set to find minima on the potential energy surface, and is known to give satisfactory QSPR results for various properties of organic molecules. However, this MSEP method is not applicable to screen large database because geometry optimization and frequency calculation require considerable computing time. To develop a fast but yet reliable approach, we have re-examined our previous work on organic molecules using two semi-empirical methods, AM1 and PM3. This new approach can be an efficient protocol in designing new molecules with improved properties.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.02a
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• pp.295-295
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• 2013

Supercapacitors with higher energy and power density are attracting growing attention for their wide range of potential applications such as portable electronic equipments, hybrid vehicle and cellular devices. In various classes of materials for supercapacitors, the redox pseudocapacitive materials such as conducting polymers and metal oxides have been most widely studied recently. The nanostructuring of the electrode surface has also been focused on since it can provide large surface area and consequently easy diffusion of ions in the capacitors. Among the active materials, in this work, we have used polyaniline (PANi) and manganese oxide ($MnO_2$). PANi is one of the promising electrode and active materials due to its desirable properties such as high electrochemical activity, high doping level and stability. $MnO_2$ is also widely studied material for supercapacitors since it is relatively cheap and environmentally friendly. In this work, we fabricated PANi hollow nanospheres by polymerizing aniline monomers on the polystyrene (PS) nanospheres and then dissolving the inner PS spheres. This nanostructuring of the PANi surface can provide large surface area and hence easy diffusion of electrolyte ions. We also incorporated $MnO_2$ nanoparticles into the PANi hollow nanospheres and investigated its electrochemical properties. It is expected that the combination of these two active materials with slightly different working potential windows show synergetic effects such as broader working potential range and enhanced specific capacitance.

• Journal of Powder Materials
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• v.27 no.3
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• pp.203-209
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• 2020

The automotive industry has focused on the development of metallic materials with high specific strength, which can meet both fuel economy and safety goals. Here, a new class of ultrafine-grained high-Mn steels containing nano-scale oxides is developed using powder metallurgy. First, high-energy mechanical milling is performed to dissolve alloying elements in Fe and reduce the grain size to the nanometer regime. Second, the ball-milled powder is consolidated using spark plasma sintering. During spark plasma sintering, nanoscale manganese oxides are generated in Fe-15Mn steels, while other nanoscale oxides (e.g., aluminum, silicon, titanium) are produced in Fe-15Mn-3Al-3Si and Fe-15Mn-3Ti steels. Finally, the phases and resulting hardness of a variety of high-Mn steels are compared. As a result, the sintered pallets exhibit superior hardness when elements with higher oxygen affinity are added; these elements attract oxygen from Mn and form nanoscale oxides that can greatly improve the strength of high-Mn steels.

• The Journal of the Korea Contents Association
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• v.4 no.3
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• pp.107-113
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• 2004

This paper improved the performance of the face recognition system using the PCA/LDA hybrid method based on the facial geometric feature and the Wavelet transform. Because the previous PCA/LDA methods have measured the similarity according to the formal dispersion, they could not reflect facial boundaries exactly In order to recover this defect, this paper proposed the method using the distance between eyes and mouth. If the difference of the measured distances on the query and the training images is over the given threshold, then the method reorders the candidate images according to energy feature vectors of eyes, a nose, and a chin. To evaluate the performance of the proposed method the computer simulations have been performed with four hundred facial images in the ORL database. The results showed that our method improves about 4％ recognition rate over the previous PCA/LDA method.

• Restorative Dentistry and Endodontics
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• v.28 no.2
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• pp.156-161
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• 2003

The purpose of this study is to evaluate the polymerization ability of three different light sources by microhardness test. Stainless steel molds of 1, 2, 3, 4 and 5 mm in thickness of 7 mm in diameter were prepared. The hybrid composite Z100 was packed into the hole of the mold and curing light was activated for designated time. Three different light sources, conventional halogen, light emitting diode, and plasma arc, were used for curing of composite. Two different curing times applied ; one is to follow the manufacturers recommendation and the other is to extend the curing time of LED and plasma arc for balancing the light energy with halogen. Immediately after curing, the Vickers hardness was measured at the bottom of specimen. The results were as follows. 1 The composite cured with LED showed equal to higher microhardnesss than halogen. 2. The composite was cured with plasma arc by manufacturers recommendation showed lowest micro-hardness at all thickness. However, when curing time was extended, microhardness was higher than the others. In conclusion, this study suggested that plasma arc needs properly extended curing time.

• Bulletin of the Korean Chemical Society
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• v.30 no.2
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• pp.405-408
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• 2009

In this work multiwalled carbon nanotube (MWCNT)/fibrin hybrid structures were synthesized via the transglutaminase- catalyzed polymerization of fibrinogen (FBG). Specifically, FBG was tethered onto oxidized MWCNTs by amide coupling, and the in situ polymerization of FBG to fibrin was performed by plasma transglutaminase (Factor XIIIa) in the presence of thrombin. The attached FBG was found to be biologically active and was polymerized to fibrin by thrombin and Factor XIIIa. MWCNT-FBG and MWCNT-Fibrin structures were characterized by FT-IR spectroscopy, transmission electron microscopy, and energy-dispersive X-ray (EDX) spectroscopy.

• The Transactions of the Korean Institute of Electrical Engineers P
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• v.63 no.4
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• pp.283-289
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• 2014

A Fresnel lens is an optical component which can be used as a cost-effective, lightweight alternative to conventional continuous surface optics. Fresnel lens solar concentrators continue to fulfill a market requirement as a system component in high volume cost effective Concentrating Photovoltaic (CPV) electricity generation. The basic principles of the fresnel lens are reviewed and some practical examples are described. To investigate the performance space of the Fresnel lens, a fast simulation method which is a hybrid between raytracing and analytical computation is employed to generate a cache of simulation data. Injection molders are warming up to the idea of cycling their tool surface temperature during the molding cycle rather than keeping it constant. Heat and cool process are now also finding that raising the mold wall temperature above the resin's glass-transition or crystalline melting temperature during the filling stage and product performance in applications from automotive to packaging to optics. This paper deals with the suitability of Fresnel lenses of imaging and non-imaging designs for solar energy concentration. The concentration fresnel lens confirmed machinability and optical transmittance and roughness measure through manufactured the prototype.

• The Transactions of the Korean Institute of Power Electronics
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• v.20 no.5
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• pp.479-490
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• 2015

The conventional phase-shifted full-bridge (PSFB) converter with an LC filter has been widely used for high-power applications of over 1.0 kW. However, the PSFB converter cannot obtain optimal power conversion efficiency during the battery charging in electric vehicle (EV) on-board battery charger applications because of its unique drawbacks, such as a large circulating current and very high voltage stress in the rectifier diodes. As a result, the converters with a capacitive filter, such as LLC resonant converters, replace the PSFB converter in the EV chargers. This study analyzes the problems of the PSFB converter for EV on-board charger applications in detail. Moreover, the newest converters based on the conventional PSFB converter are reviewed. On the basis of the reviews, new PSFB converter topologies are proposed for EV charger applications. The new topologies are formed by connecting the rectifier stage in the PSFB converter with the output of an LLC resonant converter in series. Many problems of the conventional PSFB converter for EV charger applications can be solved and the performance can be more improved because of this structure; this idea is confirmed by an experiment consisting of prototype battery chargers under the output voltage range of 250-450 Vdc at 3.3 kW.

• Bulletin of the Korean Chemical Society
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• v.33 no.12
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• pp.4079-4083
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• 2012

The mechanism of the cycloaddition reaction between singlet state dichlorosilylene germylidene ($Cl_2Si=Ge:$) and acetone has been investigated with B3LYP/6-$31G^*$ and B3LYP/6-$31G^{**}$ method, from the potential energy profile, we predict that the reaction has one dominant reaction pathway. The presented rule of the reaction is that the two reactants firstly form a Si-heterocyclic four-membered ring germylene through the [2+2] cycloaddition reaction. Because of the 4p unoccupied orbital of Ge atom in the Si-heterocyclic four-membered ring germylene and the ${\pi}$ orbital of acetone forming a ${\pi}{\rightarrow}p$ donor-acceptor bond, the Si-heterocyclic four-membered ring germylene further combines with acetone to form an intermediate. Because the Ge atom in the intermediate hybridizes to an $sp^3$ hybrid orbital after the transition state, then, the intermediate isomerizes to spiro-heterocyclic ring compound involving Si and Ge (P4) via a transition state.

• Bulletin of the Korean Chemical Society
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• v.28 no.6
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• pp.1031-1034
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• 2007

The R- and Z-substituent effects for the gas-phase thermal decompositions of carbamates, R2NC(=O)- OCH2CH2Z, have been investigated theoretically at B3LYP level with 6-31G(d) and 6-31++G(d,p) basis sets. Both the Z- and R-substituent effects on reactivity (ΔH≠) were well consistent with experimental results, although the R-substituent effect was underestimated theoretically. No correlations were found between activation enthalpies and reaction enthalpies. The substituent effects on reactivity seemed to be complicated at a glance, but were understandable by concurrent electronic and steric factors. Variations of bond lengths at TS structures were well correlated with the Taft's σ* values and the TS structures became tighter as the Zsubstituent became a stronger electron-acceptor (δσ* > 0). However the effects of R-substituents on the TS structures were much smaller when compared to those of Z-substituents.