• Bulletin of the Korean Chemical Society
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• v.35 no.12
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• pp.3567-3570
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• 2014

The most stable adsorption structures and energies of four tautomers of 3-methyl-5-pyrazolone (keto-1, enol-1, keto-2, and enol-2) on Ge(100) surfaces were investigated using density functional theory (DFT) calculations. The enol-1, keto-2, and enol-2 tautomers, but not the keto-1 tautomer, were found to exhibit stable adsorption structures on the Ge(100)-$2{\times}1$ surface. Of these three adsorption structures, that of enol-2 is the most stable.

• Journal of the Korean Solar Energy Society
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• v.22 no.1
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• pp.73-80
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• 2002

This is study of the planning of thermal insulation to prevent heat loss in a basement, is aimed at investigating the heat loss from the basement space and basement structures. The results analyzed in these researches are as follows; To analyze the heat loss from basement structures, this study experimented on the heat flow phenomenon of a non-insulation structure and two insulation structure models. From the result, the interior surface temperature of two insulation structures(B, C, model) showed an equal temperature, but the interior surface temperature of a non-insulation structure (A model) is different from the two models, Therefore, we understand that the insulator constructed in the basement structure makes a role of preventing the heat loss from the basement. In addition, the exterior surface temperature of two insulation structure models showed an equal temperature. Specially, judging from the temperature difference of C model. we understand that the performance of insulator is low under the definite depth of underground. The thermal insulation design should be constructed under the definite depth of underground considering outdoor and building conditions.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.189.2-189.2
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• 2014

The most stable adsorption structures and energies of four tautomerized forms (keto-1, enol-1, keto-2, and enol-2) of 3-methyl 5-pyrazolone (MP) adsorbed on Ge(100) surfaces have been investigated by Density Functional Theory (DFT) calculation method. Among its four tautomerized forms, we confirmed three tautomerized forms except keto-1 form show the stable adsorption structures when they adsorbed on the Ge(100)-$2{\times}1$ surface as we calculate the respective stable adsorption structures, activation barrier, transition state energy, and reaction pathways. Moreover, among three possible adsorption structures, we acquired that enol-2 form has most stable adsorption structure with O-H dissociated N-H dissociation bonding structure.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.02a
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• pp.266-266
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• 2012

Ni films with a thickness of 700-800 nm were deposited on carbon fiber layers using electroless deposition, and surface structures and chemical properties of these films with various annealing temperatures (300, 600 and $900^{\circ}C$) were studied. $600^{\circ}C$-annealing under atmospheric conditions resulted in formation of porous surface structures with a mean pore size of ~100 nm, whereas the other samples showed non-porous surface structures. $600^{\circ}C$-annealed Ni film showed much higher reactivities for toluene adsorption and CO oxidation comparing to other non-porous surfaces.

• Journal of the Korean Ceramic Society
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• v.40 no.9
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• pp.819-826
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• 2003

This article is concerned with the overview of activated carbons as electrode materials in electric double-layer capacitors. Firstly, this article introduced various types of activated carbons with their precursors and manufacturing conditions which can be divided into two main steps of the carbonization and activation processes. Secondly, the present article gave the detailed discussion about the porous structures and examined previous works on the electrochemical behaviors of activated carbons in relation to their porous structures, along with our recent works. Finally, this article characterized the surface oxygen functional groups and presented their influence on the electrochemical properties of activated carbons by reviewing our recent results.

• Structural Engineering and Mechanics
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• v.72 no.2
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• pp.203-216
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• 2019

Reliability analysis of composite structures considering random variation of involved parameters is quite important as composite materials revealed large statistical variations in their mechanical properties. The reliability analysis of such structures by the first order reliability method (FORM) and Monte Carlo Simulation (MCS) based approach involves repetitive evaluations of performance function. The response surface method (RSM) based metamodeling technique has emerged as an effective solution to such problems. In the application of metamodeling for uncertainty quantification and reliability analysis of composite structures; the finite element model is usually formulated by either classical laminate theory or first order shear deformation theory. But such theories show significant error in calculating the structural responses of composite structures. The present study attempted to apply the RSM based MCS for reliability analysis of composite shell structures where the surrogate model is constructed using higher order shear deformation theory (HSDT) of composite structures considering the uncertainties in the material properties, load, ply thickness and radius of curvature of the shell structure. The sensitivity of responses of the shell is also obtained by RSM and finite element method based direct approach to elucidate the advantages of RSM for response sensitivity analysis. The reliability results obtained by the proposed RSM based MCS and FORM are compared with the accurate reliability analysis results obtained by the direct MCS by considering two numerical examples.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2009.11a
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• pp.32-32
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• 2009

Silicon carbide (SiC) is a wide-bandgap semiconductor that has materials properties necessary for the high-power, high-frequency, high-temperature, and radiation-hard condition applications, where silicon devices cannot perform. SiC is also the only compound semiconductor material. on which a silicon oxide layer can be thermally grown, and therefore may fabrication processes used in Si-based technology can be adapted to SiC. So far, atomic force microscopy (AFM) has been extensively used to study the surface charges, dielectric constants and electrical potential distribution as well as topography in silicon-based device structures, whereas it has rarely been applied to SiC-based structures. In this work, we investigated that the local oxide growth on SiC under various conditions and demonstrated that an increased (up to ~100 nN) tip loading force (LF) on highly-doped SiC can lead a direct oxide growth (up to few tens of nm) on 4H-SiC. In addition, the surface potential and topography distributions of nano-scale patterned structures on SiC were measured at a nanometer-scale resolution using a scanning kelvin probe force microscopy (SKPM) with a non-contact mode AFM. The measured results were calibrated using a Pt-coated tip. It is assumed that the atomically resolved surface potential difference does not originate from the intrinsic work function of the materials but reflects the local electron density on the surface. It was found that the work function of the nano-scale patterned on SiC was higher than that of original SiC surface. The results confirm the concept of the work function and the barrier heights of oxide structures/SiC structures.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 2007.04a
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• pp.427-432
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• 2007

In general, the response of bulk material is independent of its size when it comes to considering classical elasticity theory. Because the surface to bulk ratio of the large solids is very small, the influence of surface can be negligible. But the surface effect plays important role as the surface to bulk ratio becomes larger, that is, the contribution of the surface effect must be considered in nano-size elements such as thin film or beam structure. Molecular dynamics computation has been a conventional way to analyze these ultra-thin structures but this method is limited to simulate on the order of $10^6-10^8$ atoms for a few nanoseconds, and besides, very time consuming. Analysis of structures in submicro to micro range(thin-film, wire etc.) is difficult with classical molecular dynamics due to the restriction of computing resources and time. Therefore, in this paper, the continuum-based method is considered to simulate the overall physical and mechanical properties of the structures in nano-scale, especially, for the thin-film.

• Journal of the Korean Society of Industry Convergence
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• v.5 no.3
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• pp.209-212
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• 2002

The change of surface structures for the deposition of Sn, In on clean Si(111) surface is investigated as a function of surface coverage by RHEED system. For tin submonolayer films $7{\times}7$, ${\sqrt{3}}{\times}{\sqrt{3}}$ structures are observed depending on the coverage and substrate temperature. For indium submonolayer films $7{\times}7$, ${\sqrt{3}}{\times}{\sqrt{3}}$, ${\sqrt{31}}{\times}{\sqrt{31}}$, $1{\times}1$ structures are observed. We find that at substrate temperature of $500^{\circ}C$, ${\sqrt{3}}{\times}{\sqrt{3}}$ structure is formed at tin coverages of 0.2~0.4 ML and at indium coverages of 0.1~0.3 ML, respectively. From the desorption process, the desorption energies of Sn, In in ${\sqrt{3}}{\times}{\sqrt{3}}$ structure is observed to he 3.25 eV, 2.66eV, respectively.

• Journal of computational fluids engineering
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• v.11 no.4 s.35
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• pp.90-100
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• 2006

A digital wave tank (DWT) simulation technique has been developed by authors to investigate the interactions of fully nonlinear waves with 3D marine structures. A finite-difference/volume method and a modified marker-and-cell (MAC) algorithm have been used, which are based on the Navier-Stokes (NS) and continuity equations. The fully nonlinear kinematic free-surface condition is implemented by the marker-density function (MDF) technique or the Level-Set (LS) technique developed for one or two fluid layers. In this paper, some applications for various engineering problems with free-surface are introduced and discussed. It includes numerical simulation of marine environments by simulation equipments, fully nonlinear wave motions around offshore structures, nonlinear ship waves, ship motions in waves and marine flow simulation with free-surface. From the presented simulations, it seems that the developed DWT simulation technique can handle various engineering problems with free-surface and reliably predict hydrodynamic features due to the fully-nonlinear wave motions interacting with such marine structures.