• Title/Summary/Keyword: SI이론

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Core-hole Effect on Partial Electronic Density of State and O K-edge x-ray Raman Scattering Spectra of High-Pressure SiO2 Phases (전자-정공 효과(Core-Hole Effect) 적용에 따른 SiO2 고압상들의 전자구조 및 O K-edge X-선 Raman 산란 스펙트럼 계산 결과 분석)

  • Khim, Hoon;Yi, Yoo Soo;Lee, Sung Keun
    • Journal of the Mineralogical Society of Korea
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    • v.30 no.2
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    • pp.59-70
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    • 2017
  • $SiO_2$ is one of the most abundant constituents of the Earth's crust and mantle. Probing its electronic structures at high pressures is essential to understand their elastic and thermodynamic properties in the Earth's interior. The in situ high-pressure x-ray Raman scattering (XRS) experiment has been effective in providing detailed bonding transitions of the low-z materials under extreme compression. However, the relationship between the local atomic structures and XRS features at high pressure has not been fully established. The ab initio calculations have been used to overcome such experimental difficulties. Here we report the partial density of states (PDOS) of O atoms and the O K-edge XRS spectra of ${\alpha}-quartz$, ${\alpha}-cristobalite$, and $CaCl_2$-type $SiO_2$ phases calculated using ab initio calculations based on the full-potential linearized augmented plane wave (FP-LAPW) method. The unoccupied O PDOSs of the $CaCl_2$-type $SiO_2$ calculated with and without applying the core-hole effects present significantly distinctive features. The unoccupied O p states of the ${\alpha}-quartz$, ${\alpha}-cristobalite$ and $CaCl_2$-type $SiO_2$ calculated with considering the core-hole effect present similar features to their calculated O K-edge XRS spectra. This confirms that characteristic features in the O K-edge XRS stem from the electronic transition from 1s to unoccupied 2p states. The current results indicate that the core-hole effects should be taken in to consideration to calculate the precise O K-edge XRS features of the $SiO_2$ polymorphs at high pressure. Furthermore, we also calculated O K-edge XRS spectrum for $CaCl_2$-type $SiO_2$ at ~63 GPa. As the experimental spectra for these high pressure phases are not currently available, the current results for the $CaCl_2$-type $SiO_2$ provide useful prospect to predict in situ high-pressure XRS spectra.

The Evolution of Korean e-Government Service in the Perspective of Actor-Network Theory (한국 전자정부시스템 발전에 있어서 행정 표준의 역할과 관리체제의 변화 연구)

  • Kim, Sulim;Yang, Hee-Dong;Ahn, Joongho
    • Journal of Technology Innovation
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    • v.23 no.3
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    • pp.21-42
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    • 2015
  • This paper shows the case of the evolution of Korean e-Government services in the theoretical lens of Actor-Network Theory and Structuration Theory. It presents how human actors (i.e. presidents and the central administrations) and non-human actors (i.e. law, standards, and relay systems) have established as the one network together, and how this network affects the evolution of Korean e-Government services. This case demonstrates in public sector can adopt not only Actor-Network Theory, but also Structuration Theory to explain both micro and macro contexts. The practical implications are given especially for the developing countries in pursuing the rapid development process of e-Government services.

Theoretical Investigation for the Molecular Structure and Binding Energies of C6H6+-(H2O)n (n=1-5) Complexes (벤젠양이온-물 복합체[C6H6+-(H2O)n (n=1-5)]의 결합 에너지 및 분자 구조에 관한 이론적 연구)

  • Kim, Si-Jo;Kim, Seung-Joon
    • Journal of the Korean Chemical Society
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    • v.54 no.6
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    • pp.671-679
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    • 2010
  • The geometrical parameters and binding energies of the benzene ion-water complex [$C_6H_6^+-(H_2O)_n$(n=1-5)] have been investigated using ab initio (MP2) and density functional theory (DFT) with large basis sets. The harmonic vibrational frequencies and IR intensities are also determined to confirm that all the optimized geometries are true minima. Also zero-point vibrational energies have been considered to predict the binding energies. The predicted binding energy of 8.6 kcal/mol for $C_6H_6^+-(H_2O)$ at the MP2/aug-cc-pVTZ level of theory is in excellent agreement with recent experimental result of $8.5{\pm}1$ kcal/mol.

Research and Promotion of Local Government Consolidation Plan -Focusing on Andong-si and Yecheon-gun- (지방자치단체 통합의 과제와 추진방안에 관한 연구 -안동시와 예천군을 중심으로-)

  • Kwon, Ki-Chang
    • The Journal of the Korea Contents Association
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    • v.16 no.2
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    • pp.399-409
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    • 2016
  • Gyeongsangbuk-do moved its provincial office in October, 2015 and has been building a new town with a goal to construct a truly self-sufficient city with the population of 100,000 people before 2027. However, a new town tends to be dualized in terms of its administrative districts, so it is raising a lot of problems regarding from city construction up to operation. In order to solve those problems, this author has selected Si Gun Gu integration that was chosen as a major task to do in 2012 among the basic plans to revise the local administration system announced by the promotional committee to reorganize administrative districts as the range of this research and analyzed how it is going on in Andong-si and Yecheon-gun where a provincial office new town is being constructed. The main contents of this study regard the theoretical model to reform the local administration system, basic plans to revise the local administration system, and necessity and directions for reorganizing administrative districts in Andong-si and Yecheon-gun. Based on that, this author suggests integration of administrative districts as a way for a provincial office new town to establish its identity and grow as a sustainable, new growth focus city in Gyeongsangbuk-do.

Implementation of Highly Efficient GMR Color Filter using Asymmetric Si3N4 Gratings (비대칭 Si3N4 격자를 사용한 고효율 GMR 컬러 필터의 구현)

  • Ho, Kwang-Chun
    • The Journal of the Institute of Internet, Broadcasting and Communication
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    • v.17 no.1
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    • pp.225-230
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    • 2017
  • In this paper, a highly efficient GMR(guided-mode resonant) color filter is proposed and implemented. The GMR color filter consists of $Si_3N_4/air$ layers containing complementary fixed and mobile gratings. The device is designed using RETT(rigorous equivalent transmission-line theory) and a grating structure operating in subwavelength. The numerical result reveals that the color filter has a tuning capability of about 35 nm over the $0.45{\mu}m{\sim}0.55{\mu}m$ range for blue-green color and across $0.6{\mu}m{\sim}0.7{\mu}m$ range for red color. Furthermore, The color filters have a spectral bandwidth of about 8 nm with efficiencies of 99%, 98%, and 99% at the center wavelength of blue, green, and red color, respectively, and these are higher efficiencies than reported in the literature previously.

광전자 소자 응용을 위한 수직 정렬된 ZnO Nanorod Array를 이용한 계층 나노구조

  • Go, Yeong-Hwan;Yu, Jae-Su
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.126-126
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    • 2011
  • 수직으로 정렬된 1차원 ZnO nanorod arrays (NRAs)는 효율적인 반사방지 특성의 기하학적 구조를 갖고 있어, 크기와 모양 그리고 정렬형태의 다양한 설계를 통해 빛의 흡수율과 광 추출효율을 증가시켜 광전소자 및 태양광 소자의 성능을 향상시킬 수 있으며, 최근 이러한 연구에 대한 관심이 집중되고 있다. 본 연구에서는 ZnO NRAs의 넓은 표면적과 불연속적인 독특한 표면을 활용하여 광학적 특성을 효과적으로 개선하였다. 실험을 위해, thermal evaporator를 사용하여 Au와 Ag 그리고 e-beam evaporator를 사용하여 $SiO_2$를 ZnO NRAs 표면에 여러 가지 조건으로 증착하여, 독특한 계층 나노구조의 형성과 광학적 특성을 관찰하였다. 표면 roughness가 큰 FTO/glass 위에 수열합성법을 통해 끝이 뾰족하고, 비스듬히 정렬된 ZnO nano-tip array에 Au를 증착할 경우 ZnO/Au core/shell 구조가 형성되며, Au의 광 흡수율이 매우 크게 증가함을 관찰할 수 있었다. 반면 flat한 표면위에 빽빽하게 수직으로 정렬된 ZnO NRAs를 성장시켜 그 위에 Ag를 증착할 경우, evaporated Ag flux가 ZnO nanorod의 사이에 scattered 되어 ZnO nanorod 기둥의 측면에 직경이 50 nm 이하인 nanoparticles이 decorated 되어 국소표면플라즈몬 현상이 관찰되었으며, 이러한 효과를 통해 입사되는 빛의 흡수율을 효과적으로 증가시킬 수 있었다. 또한, ZnO NRAs의 표면에 $SiO_2$를 e-beam evaporator를 이용하여 증착할 경우, 자연적으로 vapor flux와 ZnO nanorod 사이에 oblique angle이 $80^{\circ}$ 이상으로 증가하여 $SiO_2$ nanorods가 자발적으로 형성되어 ZnO/$SiO_2$ branch 계층형태의 나노구조를 제작할 수 있었다. 이러한 구조는 유효 graded refractive index profile로 인해 기존의 ZnO NRAs보다 개선된 반사방지 특성을 나타냈다. 이러한 계층 나노구조의 광학적 특성을 시뮬레이션을 통해 이론적으로 분석을 통해 광전자 소자의 성능의 개선에 대한 적용 가능성을 조사하였다.

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An Assessment of the Prestress Force on the Bonded Tendon Using the Strain and the Stress Wave Velocity (변형률과 응력파속도를 이용한 부착식 텐던의 긴장력 평가)

  • Jang, Jung Bum;Hwang, Kyeong Min;Lee, Hong Pyo;Kim, Byeong Hwa
    • KSCE Journal of Civil and Environmental Engineering Research
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    • v.32 no.3A
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    • pp.183-188
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    • 2012
  • The bonded tendon was adopted to the reactor containment building of some operating nuclear power plants in Korea and the assessment of the prestress force on the bonded tendon is very important for the evaluation of the structural integrity. The prestress force of the bonded tendon at real reactor containment building, was evaluated using the SI technique and impact signal analysis technique which were developed to improve the existing indirect assessmment technique. For these techniques, the strain of the reactor containment building and the stress wave velocity of the bonded tendon were measured. Both SI technique and impact signal analysis technique give the highly reliable results comparison with the existing theoretical approach. Therefore, it is confirmed that the developed techniques are very useful for the evaluation of the prestress force on the bonded tendon.

Glass-Ceramics of $Li_2O-Al_2O_3-SiO_2$ System Produced by Sintering (소결법에 의한 $Li_2O-Al_2O_3-SiO_2$계 결정화 유리의 제조)

  • 연석주
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.3 no.2
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    • pp.176-184
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    • 1993
  • The glasses, which the $\beta$-spodumene as the principal crystalline phase could be precipitated, were melted by adding >, $P_2O_5, TiO_2, ZrO_2 in the Li_2O-Al_2O_3-SiO_2$ system. In order to achieve the glass-ceramic body of near-theoritical density by sintering method, the optimum condition of heat treatment, the effect of glass powder size and the properties were investigated by DTA, XRD, bulk density, thermal expansion and SEM. Addition of $P_20_5$ imProved the tendency of sintering and the sample with 9wt% $P_20_5$ content was the most dense OOdy by sintering method. The optimum condition of heat treatmemt was sintered for densitification at $740^{\circ}C$ and crystallized at $950^{\circ}C$. In the optimum condition, the relative density was above 90% and the thermal expansion was negative about $-1{\times}10^{-7}/^{\circ}C$.

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Analysis of key technology for the development of environmentally-friendly intelligent housing component system (친환경 지능형 건축 Component system 개발을 위한 요소기술 분석)

  • Kim, Jung-Yong;Ahn, Byung-Ju;Kim, Kyung-Hwan;Lee, Yoon-Sun;Kim, Jae-Jun
    • Proceedings of the Korean Institute Of Construction Engineering and Management
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    • 2007.11a
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    • pp.844-847
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    • 2007
  • As the interest of environment is increasing all over the world, the effort to protect environment in many industries is also being made. In the case of Construction, the effort keeps being made in effect as well. Therefore, this paper suggests the environmental-friendly smart component system which contains multiple performances such as Environmental-friendly, high-durability, variability, renovation and comfort and could be the basic factor of future building. As the enquired performances for the development of environmentally-friendly intelligent component system are grasped, the key technology to be embodied are analyzed. In the result of the analysis, SI(Skeleton & Infill) housing and Home automation are deduced as the key technology. Furthermore, it look through concept and development tendency of the main factors. Finally environmental-friendly smart component system is suggested with conversing the factors deduced.

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Quantum Chemical Calculations of the Effect of Si-O Bond Length on X-ray Raman Scattering Features for MgSiO3 Perovskite (양자화학계산을 이용한 Si-O 결합길이가 MgSiO3 페로브스카이트의 X-선 Raman 산란 스펙트럼에 미치는 영향에 대한 연구)

  • Yi, Yoo Soo;Lee, Sung Keun
    • Journal of the Mineralogical Society of Korea
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    • v.27 no.1
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    • pp.1-15
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    • 2014
  • Probing the electronic structures of crystalline Mg-silicates at high pressure is essential for understanding the various macroscopic properties of mantle materials in Earth's interior. Quantum chemical calculations based on the density functional theory are used to explore the atomic configuration and electronic structures of Earth materials at high pressure. Here, we calculate the partial density of states (PDOS) and O K-edge energy-loss near-edge structure (ELNES) spectra for $MgSiO_3$ perovskite at 25 GPa and 120 GPa using the WIEN2k program based on the full-potential linearized projected augmented wave (FP-LPAW) method. The calculated PDOS and O K-edge ELNES spectra for $MgSiO_3$ Pv show significant pressure-induced changes in their characteristic spectral features and relative peak intensity. These changes in spectral features of $MgSiO_3$ Pv indicate that the pressure-induced changes in local atomic configuration around O atoms such as Si-O, O-O, and Mg-O length can induce the significant changes on the local electronic structures around O atoms. The result also indicates that the significant changes in O K-edge features can results from the topological densification at constant Si coordination number. This study can provide a unique opportunity to understand the atomistic origins of pressure-induced changes in local electronic structures of crystalline and amorphous $MgSiO_3$ at high pressure more systematically.