• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2003년도 하계학술대회 논문집 Vol.4 No.1
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• pp.259-262
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• 2003

The surface electronic state of rutile $TiO_2$, which is an oxide semiconductor and has a wide band gap of 3.1 $\sim$ 3.5 eV, was calculated by DV-$X_{\alpha}$ method, which is a sort of the first principle molecular orbital method and uses Hartre-Fock-Slater approximation. The $[Ti_{15}O_{56}]^{-52}$ cluster model was used for the calculation of bulk state and the $[OTi_{11}O_{34}]^{-24}$ model for the surface state calculation. After calculations, the energy level diagrams and the deformation electron density distribution map were compared in both models. As results, it was identified that the surface energy levels are found between the valence and conduction band of bulk $TiO_2$ on the surface area. The energy values of these surface-induced levels are lower than conduction band of bulk $TiO_2$ by 0.1 $\sim$ 1 eV. From this fact, it is expected that the surface energy levels act as donar levels in n-type semiconductor.

• 한국정보과학회논문지:데이타베이스
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• 제32권3호
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• pp.228-242
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• 2005

투영 클러스터링은 고 차원 데이타집합에서 서로 다른 부분공간들에서 클러스터들을 찾으려고 모색한다. 사용자가 출력 클러스터들의 개수와 투영 클러스터들의 부분공간의 평균 차원수를 지정하지 않아도, 거의 최적인 투영 클러스터들을 탐사해내는 알고리즘을 제안한다. 클러스터링의 각 단계에서 알고리즘의 목적 함수는 투영 에너지, 품질, 그리고 이상치들의 개수를 계산한다. 클러스터링에서 투영 에너지를 최소화하고 품질을 최대화하기 위하여, 전체 차원의 표준 편차들을 비교함으로 입력 점들의 밀도 상에서 각 클러스터의 최선의 부분영역을 찾기 시작한다. 부분공간의 각 차원에 대한 가중치 요소가 투영 거리 측정에서 확률 오차를 없애기 위하여 사용된다. 제안된 알고리즘이 투영 클러스터들을 정확하게 발견해내고 대 용량의 데이타 집합에서 비례확장성을 갖는다는 것을 여러 가지 실험으로 보여준다.

• Ocean and Polar Research
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• 제37권4호
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• pp.295-315
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• 2015

In order to determine the spatio-temporal distribution of macrobenthic faunal communities in Jinhae Bay, quantitative faunal samples were collected seasonally at 23 sites in Jinhae Bay from February, 2011 to November, 2012. Sediment facies were found to be mud except for those at Chilcheon-do near Geoje Island. Mean values of TOC (%) ranged between 1.3 and 3.6%, and these are the highest values recorded excluding special management areas in Korea. Hypoxia occurred every summer in the whole areas of Jinhae Bay except around Geoje Island in the bay mouth. Due to the summer hypoxia, species richness, density and biomass also declined during the summer in Jinhae Bay. Opportunistic species such as Paraprionospio patiens, Sigambra bassi, Nectoneanthes oxypoda and Theora fragilis occurred as the dominant species before and after the hypoxia. However, Capitella capitata appeared as a dominant species only during the winter-spring season every year. From cluster analysis, Jinhae Bay could be divided into two sites groups: one group occupied the normoxic zone and the other one located in the hypoxic zone.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2010년도 제39회 하계학술대회 초록집
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• pp.271-271
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• 2010

Using ab initio density functional theory, we investigate the dimerization and one-dimensional (1-D) polymerization of metal-encapsulated gold nanoclusters, M@$Au_{12}$ (M=W, Mo) and their structural and electronic properties. M@$Au_{12}$ clusters with a magic number 13 can form icosahedral and cuboctahedral structures. We consider various dimer configurations with different compounds and symmetries to find the most stable dimer structure in each case. Au atoms in the one cluster, which participate directly in dimerization, tend to form triangular bonds together with counterpart Au atoms in the other. It is found that both M@$Au_{12}$ and M@$Au_{12}$ clusters are stabilized by about 3 eV due to dimerization. We also calculate and compare the electronic and magnetic properties of different dimerized clusters. Based on our investigation on dimerization, we further study on 1-D polymerization of M@$Au_{12}$ with different compounds and symmetries. We will also discuss their formation energies as well as their electronic and magnetic properties.

• 한국재료학회지
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• 제12권4호
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• pp.274-278
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• 2002

Discrete-variational(DV)-$X{\alpha}$ method was applied to investigate the electronic structures of spinel- type manganese oxide which is well known to the high performance adsorbent or cathode material for lithium ion. The results of DOS(density of states) and Mulliken population analysis showed that Li was nearly fully ionized and interactions between Mn and O were strong covalent bond. The effective charge of Li and Mn was +0.77 and +1.44 respectively and the overlap population between Mn and O was 0.252 in $LiMn_2O_4$. These results from DV-X$\alpha$ method were well coincided with the experimental result by XPS analysis and supported the feasibility of theoretical interpretation for the $LiMn_2O_4$ compound.

• 보건행정학회지
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• 제12권2호
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• pp.1-22
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• 2002

Since the early 1980s scholars have applied latent structure and other type of finite mixture models from various academic fields. Although the merits of finite mixture model are well documented, the attempt to apply the mixture model to medical service has been relatively rare. The researchers aim to try to fill this gap by introducing finite mixture model and segmenting inpatients DB from one general hospital. In section 2 finite mixture models are compared with clustering, chi-square analysis, and discriminant analysis based on Wedel and Kamakura(2000)'s segmentation methodology schemata. The mixture model shows the optimal segments number and fuzzy classification for each observation by EM(expectation-maximization algorism). The finite mixture model is to unfix the sample, to Identify the groups, and to estimate the parameters of the density function underlying the observed data within each group. In section 3 and 4 we illustrate results of segmenting 4510 patients data including menial and ratio scales. And then, we show AHP can be identify the attractiveness of each segment, in which the decision maker can select the best target segment.

• 원예과학기술지
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• 제17권6호
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• pp.753-754
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• 1999

화학비료의 시용은 토양의 산성화를 가중시키고 포도의 품질을 저하시키고 있다. 본 실험의 결과 퇴비의 시용은 포도 뿌리로 흡수되는 질소량을 낮추어 주며 토양질소 함량, 토양 pH, 토양 유기물함량, 세근의 발생량을 높여 주었다. 장초전정은 포도나무 생육을 감소시켰으며, 특히 웨이크만식 수형의 'Campbell Early'에서 장초전정은 단초전정보다 생육감소가 심해 자체 수형유지가 곤란하였다. 본 실험결과 '캠벨 얼리', '거봉', '쉐리단' 포도원의 퇴비시용은 수체생육을 감소시켰으나 토양환경을 개선함과 동시에 근군분포의 표면화와 세근의 발달을 증가시켰다.

• 한국지반공학회:학술대회논문집
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• 한국지반공학회 2009년도 춘계 학술발표회
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• pp.136-145
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• 2009

Factors influencing shear behavior of granular material include particle size, shape, distribution, relative density, particle crushing, etc. In this study, these factors are characterized by viewpoint of shear behavior using numerical analysis based on DEM. Geometrical particle shape is represented by a combination of small circular particles and influence of particle shape on crushing is studied through relative comparisons between clump (uncrushable) and cluster (crushable) models which are modeled using DEM. Also, particle shape is quantified by the dimensionless parameters such as circularity and convexity. The results indicate that particle shape indexes have a negative association with internal friction angle. Also, internal friction angle becomes reduced and failure envelop curve becomes nonlinear due to the particle crushing. It is also found that numerical results are quite good agreement with the experimental test conducted in this study.

• 한국우주과학회:학술대회논문집(한국우주과학회보)
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• 한국우주과학회 2009년도 한국우주과학회보 제18권2호
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• pp.26.2-26.2
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• 2009

The Solar and Space Weather Research Group (SOS) in Korea Astronomy and Space Science Institute (KASI) is constructing the Space Weather Prediction Center since 2007. As a part of the project, we are developing automatic real-time system of the global 3-D magnetohydrodynamics (MHD) simulation. The MHD simulation model of earth's magnetosphere is designed as modified leap-frog scheme by T. Ogino, and it was parallelized by using message passing interface (MPI). Our work focuses on the automatic processing about simulation of 3-D MHD model and visualization of the simulation results. We used PC cluster to compute, and virtual reality modeling language (VRML) file format to visualize the MHD simulation. The system can show the variation of earth's magnetosphere by the solar wind in quasi real time. For data assimilation we used four parameters from ACE data; density, pressure, velocity of solar wind, and z component of interplanetary magnetic field (IMF). In this paper, we performed some initial tests and made a animation. The automatic real-time system will be valuable tool to understand the configuration of the solar-terrestrial environment for space weather research.

• Bulletin of the Korean Chemical Society
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• 제33권11호
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• pp.3719-3726
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• 2012

Formation of Z-DNA, a left-handed double helix, from B-DNA, the canonical right-handed double helix, occurs during important biological processes such as gene expression and DNA transcription. Such B-Z transitions can also be induced by high salt concentration in vitro, but the changes in the relative stability of B-DNA and Z-DNA with salt concentration have not been fully explained despite numerous attempts. For example, electrostatic effects alone could not account for salt-induced B-Z transitions in previous studies. In this paper, we propose that the B-Z transition can be explained if counterion entropy is considered along with the electrostatic interactions. This can be achieved by conducting all-atom, explicit-solvent MD simulations followed by MM-PBSA and molecular DFT calculations. Our MD simulations show that counterions tend to bind at specific sites in B-DNA and Z-DNA, and that more ions cluster near Z-DNA than near B-DNA. Moreover, the difference in counterion ordering near B-DNA and Z-DNA is larger at a low salt concentration than at a high concentration. The results imply that the exclusion of counterions by Z-DNA-binding proteins may facilitate Z-DNA formation under physiological conditions.