• 제목/요약/키워드: Atomic structure analysis

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Atomic Force Microscopy and Specular Reflectance Infrared Spectroscopic Studies of the Surface Structure of Polypropylene Treated with Argon and Oxygen Plasmas

  • Seo Eun-Deock
    • Macromolecular Research
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    • 제12권6호
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    • pp.608-614
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    • 2004
  • Isotactic polypropylene (PP) surfaces were modified with argon and oxygen plasmas using a radio­frequency (RF) glow discharge at 240 mTorr and 40 W. The changes in topography and surface structure were investigated by atomic force microscopy (AFM) in conjunction with specular reflectance of infrared (IR) microspectroscopy. Under our operating conditions, the AFM image analysis revealed that longer plasma treatment resulted in significant ablation on the PP surface, regardless of the kind of plasma employed, but the topography was dependent on the nature of the gases. Specular reflectance IR spectroscopic analysis indicated that the constant removal of surface material was an important ablative aspect when using either plasma, but the nature of the ablative behavior and the resultant aging effects were clearly dependent on the choice of plasma. The use of argon plasma resulted in a negligible aging effect; in contrast, the use of oxygen plasma caused a noticeable aging effect, which was due to reactions of trapped or isolated radicals with oxygen in air, and was partly responsible for the increased surface area caused by ablation. The use of oxygen plasma is believed to be an advantageous approach to modifying polymeric materials with functionalized surfaces, e.g., for surface grafting of unsaturated monomers and incorporating oxygen-containing groups onto PP.

광물표면의 화학적 특성과 금속이온 수착의 고찰: A Review (Chemical Properties of Mineral Surfaces and Metal Ion Sorption: A Review)

  • 윤소정
    • 자원환경지질
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    • 제45권2호
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    • pp.205-215
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    • 2012
  • 금속이온은 토양이나 퇴적물 내의 광물에 수착되어 고착화될 수 있다. 여기서는 광물 표면의 화학적 특성과 금속이온의 수착에 관련된 이론 및 수착 연구를 위한 X-선 흡수 미세구조(extended X-ray absorption fine structure, EXAFS) 분석방법에 대해 알아보고 금속이온의 광물표면 수착에 관한 원자 단위 연구 결과를 정리하였다. 광물표면의 특성과 금속이온의 수착에 관한 원자 단위 이론의 이해는 원자 단위 분광법의 분석을 수행하는데 있어서 기초가 된다. 여기에 정리된 원자 단위 수착상 연구 결과는 외부권 착물, 내부권 착물, 표면침전뿐 아니라 공침전, 삼성분 착물, 수착반응 시간의 효과, 탈착가능성을 포함한다.

Comparative Studies on Two Fluoro-Substituted 2-Pyrazoline Derivatives with Experimental and Theoretical Methods

  • Guo, Huan-Mei;Wang, Xian;Jian, Fang Fang;Xiao, Hai Lian;Zhao, Pu Su
    • Bulletin of the Korean Chemical Society
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    • 제30권5호
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    • pp.1061-1066
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    • 2009
  • Two fluoro-substituted 2-pyrazoline derivatives, 1-phenyl-3-(4-methoxyphenyl)-5-(4-fluorophenyl)-2-pyrazoline (1) and 1-phenyl-3-(4-methoxyphenyl)-5-(2-fluoro-phenyl)-2-pyrazoline (2) have been synthesized and characterized by elemental analysis, IR, UV-Vis and fluorescence spectra. The crystal structure of 1 has been determined by X-ray single crystal diffraction. For the two compounds, density functional theory (DFT) calculations of the structures and natural population atomic charge analysis (NPA) have been performed at B3LYP/6-311G** level of theory. By using TD-DFT method, electron spectra of 1 and 2 have been predicted, which are very approximate with the experimental ones. Comparative studies on 1 and 2 indicate that the location change of fluorine atom in 5-position phenyl ring of 2-pyrazoline does not make significant change of geometries and electronic transition bands, but it leads to evident change of atomic charge distributions and peak intensities of UV and fluorescence spectra.

Numerical analysis of temperature fluctuation characteristics associated with thermal striping phenomena in the PGSFR

  • Jung, Yohan;Choi, Sun Rock;Hong, Jonggan
    • Nuclear Engineering and Technology
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    • 제54권10호
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    • pp.3928-3942
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    • 2022
  • Thermal striping is a complex thermal-hydraulic phenomenon caused by fluid temperature fluctuations that can also cause high-cycle thermal fatigue to the structural wall of sodium-cooled fast reactors (SFRs). Numerical simulations using large-eddy simulation (LES) were performed to predict and evaluate the characteristics of the temperature fluctuations related to thermal striping in the upper internal structure (UIS) of the prototype generation-IV sodium-cooled fast reactor (PGSFR). Specific monitoring points were established for the fluid region near the control rod driving mechanism (CRDM) guide tubes, CRDM guide tube walls, and UIS support plates, and the normalized mean and fluctuating temperatures were investigated at these points. It was found that the location of the maximum amplitude of the temperature fluctuations in the UIS was the lowest end of the inner wall of the CRDM guide tube, and the maximum value of the normalized fluctuating temperatures was 17.2%. The frequency of the maximum temperature fluctuation on the CRDM guide tube walls, which is an important factor in thermal striping, was also analyzed using the fast Fourier transform analysis. These results can be used for the structural integrity evaluation of the UIS in SFR.

Implementation of a Radiation-hardened I-gate n-MOSFET and Analysis of its TID(Total Ionizing Dose) Effects

  • Lee, Min-Woong;Lee, Nam-Ho;Jeong, Sang-Hun;Kim, Sung-Mi;Cho, Seong-Ik
    • Journal of Electrical Engineering and Technology
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    • 제12권4호
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    • pp.1619-1626
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    • 2017
  • Electronic components that are used in high-level radiation environment require a semiconductor device having a radiation-hardened characteristic. In this paper, we proposed a radiation-hardened I-gate n-MOSFET (n-type Metal Oxide Semiconductors Field Effect Transistors) using a layout modification technique only. The proposed I-gate n-MOSFET structure is modified as an I-shaped gate poly in order to mitigate a radiation-induced leakage current in the standard n-MOSFET structure. For verification of its radiation-hardened characteristic, the M&S (Modeling and Simulation) of the 3D (3-Dimension) structure is performed by TCAD (Technology Computer Aided Design) tool. In addition, we carried out an evaluation test using a $Co^{60}$ gamma-ray source of 10kGy(Si)/h. As a result, we have confirmed the radiation-hardened level up to a total ionizing dose of 20kGy(Si).

The electronic structure of the ion-beam-mixed Pt-Cu alloys by XPS and XANES

  • Lim, K.Y.;Lee, Y.S.;Chung, Y.D.;Lee, K.M.;Jeon, Y.;Whang, C.N.
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 1998년도 제14회 학술발표회 논문개요집
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    • pp.133-133
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    • 1998
  • In the thin film alloy formation of the transition metals ion-beam-mixing technique forms a metastable structure which cannot be found in the arc-melted metal alloys. Sppecifically it is well known that the studies about the electronic structure of ion-beam-mixed alloys pprovide the useful information in understanding the metastable structures in the metal alloy. We studied the electronic change in the ion-beam-mixed ppt-Ct alloys by XppS and XANES. These analysis tools pprovide us information about the charge transfer in the valence band of intermetallic bonding. The multi-layered films were depposited on the SiO2 substrate by the sequential electron beam evapporation at a ppressure of less than 5$\times$10-7 Torr. These compprise of 4 ppairs of ppt and Cu layers where thicknesses of each layer were varied in order to change the alloy compposition. Ion-beam-mixing pprocess was carried out with 80 keV Ae+ ions with a dose of $1.5\times$ 1016 Ar+/cm2 at room tempperature. The core and valence level energy shift in these system were investigated by x-ray pphotoelectron sppectroscoppy(XppS) pphotoelectrons were excited by monochromatized Al K a(1486.6 eV) The ppass energy of the hemisppherical analyzer was 23.5 eV. Core-level binding energies were calibrated with the Fermi level edge. ppt L3-edge and Cu K-edge XANES sppectra were measured with the flourescence mode detector at the 3C1 beam line of the ppLS (ppohang light source). By using the change of White line(WL) area of the each metal sites and the core level shift we can obtain the information about the electrons pparticippating in the intermetallic bonding of the ion-beam-mixed alloys.

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X-선과 중성자 회절을 이용한 강유전체 단결정 $LiN(D_xH_{1-x}){_4}SO_4$의 결정구조 연구 (Crystal Structure Analysis of $LiN(D_xH_{1-x}){_4}SO_4$ by X-ray and Neutron Diffraction)

  • 김신애;김성훈;소지용;이정수;이창희
    • 한국광물학회지
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    • 제20권4호
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    • pp.351-356
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    • 2007
  • 수소원자를 포함한 강유전체 $Li(NH_4)SO_4$의 중수소 치환형인 $Li(ND_4)SO_4$ 단결정에 대해 X-선과 중성자 회절법으로 결정구조를 연구하였다. 이 결정은 상온에서 사방정계이고 공간군은 $P2_1nb$이다. 격자상수는 $a=5.2773(5)\;{\AA},\;b=9.1244(23)\;{\AA},\;c=8.7719(11)\;{\AA}$이며 Z=4이다. 한국원자력연구원의 연구용 원자로인 하나로에 설치된 중성자 4축 단결정 회절장치로 중성자데이터를 수집하였으며, X-선 회절데이터는 일본 동북대학교 물리학과에서 측정하였다. X-선 회절법으로 수집한 1450개의 독립 회절반점에 대하여 최소자승법으로 정밀화하여 최종 신뢰도값 R=0.070을 얻었으며, 중성자 회절법으로는 745개의 회절반점에 대하여 R=0.049을 얻었다. X-선 회절데이터 분석 결과 결정구조 내의 수소원자 중 1개의 위치만을 얻었으나, 중성자 회절법으로는 $NH_4$ 사면체의 수소/중수소원자의 위치는 물론 H를 치환해서 들어간 D의 점유율을 정련하여 측정시료의 평균화학식이 $LiND_{3.05}H_{0.95}SO_4$임을 밝혔다.

Recent advances of 17O NMR spectroscopy

  • Lin, Yuxi;Kim, Hak Nam;Lee, Young-Ho
    • 한국자기공명학회논문지
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    • 제23권2호
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    • pp.56-60
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    • 2019
  • Study on the structure and dynamics of molecules at the atomic level is of great significance for understanding their function and stability as well as roles for various chemico-physical and biological processes. $^{17}O$ NMR spectroscopy has appeared as an elegant technique for investigating of the physicochemical and structural properties of oxygen-containing compounds such as metal organic frameworks and nanosized oxides. This method has drawn much attention as it provides unique insights into the properties of targets based on atomistic information of local oxygen environments which is otherwise difficult to obtain using other methods. In this mini review, we introduce and discuss the recent study and developments of $^{17}O$ NMR techniques which are tailored for the investigation on the structure and dynamics of water and inorganic materials.

Shape Optimization of the H-shape Spacer Grid Spring Structure

  • Yoon, Kyung-Ho;Kim, Hyung-Kyu;Kang, Heung-Seok;Song, Kee-Nam;Park, Ki-Jong
    • Nuclear Engineering and Technology
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    • 제33권5호
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    • pp.547-555
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    • 2001
  • In pressurized light water reactor fuel assembly, spacer grids support nuclear fuel rods both laterally and vertically. The fuel rods are supported by spacer grid springs and grid dimples that are located in the grid cell. The support system allows for some thermal expansion and imbalance of the fuel rods. The imbalance is absorbed by elastic energy to prevent coolant flow- induced vibration damage. Design requirements are defined and a design process is established. The design process includes mathematical optimization as well as practical design method. The shape of the grid spring is designed to maintain its function during the lifetime of the fuel assembly. A structural optimization method is employed for the shape design. Since the optimization is carried out in the linear range of finite element analysis, the optimum solution is verified by nonlinear analysis. A good design is found and the final design is compared with the initial conceptual design. Commercial codes are utilized for structural analysis and optimization.

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Feasibility Study of the Decay Heat Removal Capability Using the Concept of a Thermosyphon in the Liquid Metal Reactor

  • Kim, Yeon-Sik;Sim, Yoon-Sub;Kim, Eui-Kwang
    • 에너지공학
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    • 제10권4호
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    • pp.342-348
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    • 2001
  • A new design concept for a decay heat removal system in a liquid metal reactor is proposed. The new design utilizes a thermosyphon to enhance the heat removal capacity and its heat transfer characteristics are analyzed against the current PSDRS (Passive Safety Decay heat Removal System) in the KAL IMER (Korea Advanced LIquid MEtal Reactor) design. The preliminary analysis results show that the new design with a thermosyphon yields substantial increase of 20∼40% in the decay heat removal capacity compared to the current design that do not have the thermosyphon. The new design reduces the temperature rise in the cooling air of the system and helps the surrounding structure in maintaining its mechanical integrity for long term operation at an accident. Also the analysis revealed the characteristics of the interactions among various heat transfer modes in the new design.

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