• Title/Summary/Keyword: Crystal structure analyses

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Finite Element Analysis of Capctive Silicon Pressure Sensors (용량형 실리콘 압력 센서의 유한요소 해석)

  • Roh, Yong-Ae
    • The Journal of the Acoustical Society of Korea
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    • v.14 no.2E
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    • pp.12-18
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    • 1995
  • Capactive miro pressure sensor is simulated with finite element methods to analyze the effect of geometrical variation on its performace. Sensor material is th silicon single crystal. The sensor consists of a disk type diaphragm and several bridges connected to a rigid frame. Structural variables in consideration are the thickness of the diaphragm and the bridges, radius of the circular plate, and the number of bridges. Results of static, dynamic and sensitivity analyses reveal the best structure of the sensor among the fifteen cases under investigation.

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Influence of SiO2 Capping and Annealing on the Luminescence Properties of Larva-Like GaS Nanostructures

  • Kim, Hyunsu;Jin, Changhyun;Park, Sunghoon;Lee, Chongmu
    • Bulletin of the Korean Chemical Society
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    • v.33 no.11
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    • pp.3576-3580
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    • 2012
  • Larva-like GaS nanostructures synthesized by the thermal evaporation of Ga metals and S powders were coated with $SiO_2$ by the sputtering technique. Transmission electron microscopy and X-ray diffraction analyses revealed that the cores and shells of the GaS-core/$SiO_2$-shell larva-like nanostructures were single crystal wurtzite-type hexagonal structured-GaS and amorphous $SiO_2$, respectively. Photoluminescence (PL) measurements at room temperature showed that the passivation of the larva-like GaS nanostructures was successfully achieved with $SiO_2$ without nearly harming the major emission from the wires. However, subsequent thermal annealing treatment was found to be undesirable owing to the degradation of their emission in intensity.

Features of Nickel Nanoparticles Structure Synthesized by the Spark Discharge Method

  • Rhee, C.K.;Maksimov, A.D.;Beketov, I.V.;Medvedev, A.I.;Murzakaev, A.M.
    • Journal of Powder Materials
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    • v.27 no.6
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    • pp.464-467
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    • 2020
  • Nickel nanopowders are obtained by the spark discharge method, which is based on the evaporation of the electrode surface under the action of the discharge current, followed by vapor condensation and the formation of nanoparticles. Nickel electrodes with a purity of 99.99% are used to synthesize the nickel nanoparticles in the setup. Nitrogen is used as the carrier gas with a purity of 99.998%. XRD, TEM, and EDX analyses of the nanopowders are performed. Moreover, HRTEM images with measured interplanar spacings are obtained. In the nickel nanopowder samples, a phase of approximately 90 wt% with an expanded crystal lattice of 6.5% on average is found. The results indicate an unusual process of nickel nanoparticle formation when the spark discharge method is employed.

Microstructural analysis of the single crystalline AlN and the effect of the annealing on the crystalline quality (단결정 AlN의 미세구조 분석 및 어닐링 공정이 결정성에 미치는 영향)

  • Kim, Jeoung Woon;Bae, Si-Young;Jeong, Seong-Min;Kang, Seung-Min;Kang, Sung;Kim, Cheol-Jin
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.28 no.4
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    • pp.152-158
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    • 2018
  • PVT (Physical Vapor Transport) method has advantages in producing high quality, large scale wafers where many researches are being carried out to commercialize nitride semiconductors. However, complex process variables cause various defects when it had non-equilibrium growth conditions. Annealing process after crystal growth has been widely used to enhance the crystallinity. It is important to set appropriate temperature, pressure, and annealing time to improve crystallinity effectively. In this study, the effect of the annealing conditions on the crystalline structure variation of the AlN single crystal grown by PVT method was investigated with synchrotron whitebeam X-ray topography, electron backscattered diffraction (EBSD), and Rietveld refinement. X-ray topography analysis showed secondary phases, sub-grains, impurities including carbon inclusion in the single crystal before annealing. EBSD analyses identified that sub-grains with slightly tilted basal plane appeared and the overall number of grains increased after the annealing process. Rietveld refinement showed that the stress caused by the temperature gradient during the annealing process between top and bottom in the hot zone not only causes distortion of grains but also changes the lattice constant.

CoMFA and CoMSIA Study on Angiotensin-Converting Enzyme (ACE) Inhibitors: a Molecular Design of Potential Hypertensive Drugs

  • San Juan, Amor A.;Cho, Seung-Joo
    • Proceedings of the Korean Society for Bioinformatics Conference
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    • 2005.09a
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    • pp.249-255
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    • 2005
  • Angiotensin-converting enzyme (ACE) is primarily responsible for human hypertension. Current ACE drugs show serious cough and angiodema health problems due to the un-specific activity of the drug to ACE protein. The availability of ACE crystal structure (1UZF) provided the plausible biological orientation of inhibitors to ACE active site (C-domain). Three-dimensional quantitative structure-activity relationship (3D-QSAR) models have been constructed using the comparative molecula. field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) for a series of 28 ACE inhibitors. Alignment for CoMFA obtained by docking ligands to 1UZF protein using FlexX program showed better statistical model as compared to superposition of corresponding atoms. The statistical parameters indicate reasonable models for both CoMFA (q$^2$ = 0.530, r$^2$ = 0.998) and CoMSIA (q$^2$= 0.518, r$^2$ = 0.990). The 3D-QSAR analyses provide valuable information for the design of ACE inhibitors with potent activity towards C-domain of ACE. The group substitutions involving the phenyl ring and carbon chain at the propionyl and sulfonyl moieties of captopril are essential for specific activity to ACE.

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Earth and Environmental Sciences with Synchrotron Radiation (방사광의 원리와 지구환경과학에의 응용)

  • 김영호
    • The Journal of the Petrological Society of Korea
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    • v.10 no.3
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    • pp.212-221
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    • 2001
  • This paper introduces the characteristics and generation of the synchrotron radiation (SR). SR has the very high spectral brilliance, broad spectral range, X-ray wavelength tunability, high degree of polarization and collimation, and pulsed time structure. Also describes the technologies to apply in the fields of geology and environmental sciences. These include X-ray tomography, XRF, EXAFS, XANES, DAC, IVP experiments. Further, nuclear power generation and nuclear waste disposal methods are mentioned relating to energy. Using these, analyses of the chemistry, crystal structure and chemical combining states of minerals and rocks can be carried out. Applications in the fields of the economic geology, paleontology and environmental sciences are open too. Informations of the Earth interior materials' behavior under high pressure-temperature can be acquired.

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Preparation and Characterization of Mesoporous Ni Film Made by Electroplating Method (전착법을 이용한 메조포러스 니켈 필름의 제조와 특성 분석)

  • Lee, Ji-Hoon;Baik, Young-Nam;Kim, Young-Seok;Shin, Seung-Han
    • Journal of the Korean institute of surface engineering
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    • v.40 no.1
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    • pp.16-22
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    • 2007
  • Recently, mesoporous metallic materials are becoming more and more important in various applications like catalysts, electrochemical detectors, batteries, and fuel cells because of their high surface area. Among the various methods for manufacturing mesoporous structure, surfactant templating method followed by electroplating has been tried in this study. A mesoporous metallic film was prepared by electrodeposition from electroplating solution mixed with surfactant template. Nonionic type lyotropic liquid crystalline surfactant, Brij56, and nickel acetate based solution were selected as a template material and electroplating solution, respectively. To determine the content of surfactant forming a hexagonal column structure, the phase diagram of electroplating solution and surfactant mixture has been exploited by polarized optical microscopy equipped with heating and cooling stage. Nickel films were electroplated on Cu foil by stepwise potential input method to alleviate the concentration polarization occurred during the electroplating process. TEM and XRD analyses were performed to characterize the size and shape of mesostructures in manufactured nickel films, and electrochemical characterization was also carried out using cyclic voltammetry.

Oxovanadium(IV) Complexes Containing VO(ONS) Basic Core: Synthesis, Structure, and Spectroscopic Properties

  • Jang, Yoon-Jung;Lee, Uk;Koo, Bon-Kweon
    • Bulletin of the Korean Chemical Society
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    • v.26 no.1
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    • pp.72-76
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    • 2005
  • Some mononuclear oxovanadium(IV) complexes having the general formula [VOL(bidentate)] (1-4) of which L is tridentate ONS-donor salicylaldehyde S-methyldithiocarbazate (sal-mdtc$^{2-}$) or salicylaldehyde 4- phenylthiosemicarbazate (sal-phtsc$^{2-}$) and bidentate stands for 2,2'-bipyridyl (bpy) or 1,10-phenanthroline (phen) have been synthesized. The complexes were characterized by elemental analyses, FAB mass, UV, IR spectroscopy, and cyclic voltammetry. Two of the complexes [VO(sal-mdtc)(bpy)] (1) and [VO(sal-mdtc) (phen)] (2) were crystallographically characterized. The structures revealed that vanadium atom is octahedrally coordinated by the O, N, and S donor atoms of the tridentate ligand, the two N atoms of bidentate ligand, and the oxo atom. The oxygen donor, occupying an apical position has a trans-labilizing effect, resulting in elongation of the V-N bond. The cyclic voltammograms of the complexes exhibited one cathodic response in the range −d1.45 $\sim$ −f1.52 V due to the reduction of V(IV) to V(III).

3D-QSAR Studies on Angiotensin-Converting Enzyme (ACE)Inhibitors: a Molecular Design in Hypertensive Agents

  • San Juan, Amor A.;Cho, Seung-Joo
    • Bulletin of the Korean Chemical Society
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    • v.26 no.6
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    • pp.952-958
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    • 2005
  • Angiotensin-converting enzyme (ACE) is known to be primarily responsible for hypertension. Threedimensional quantitative structure-activity relationship (3D-QSAR) models have been constructed using the comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) for a series of 28 ACE inhibitors. The availability of ACE crystal structure (1UZF) provided the plausible biological orientation of inhibitors to ACE active site (C-domain). Alignment for CoMFA obtained by docking ligands to 1UZF protein using FlexX program showed better statistical model as compared to superposition of corresponding atoms. The statistical parameters indicate reasonable models for both CoMFA ($q^2$ = 0.530, $r^2$ = 0.998) and CoMSIA ($q^2$ = 0.518, $r^2$ = 0.990). The 3D-QSAR analyses provide valuable information for the design of ACE inhibitors with potent activity towards C-domain of ACE. The group substitutions involving the phenyl ring and carbon chain at the propionyl and sulfonyl moieties of captopril are essential for better activity against ACE.

Characterization of the Microstructure and the Wear Resistance of the Flame-Quenched Cu-8.8Al-4.5Ni-4.5Fe Alloy (화염급냉 표면처리된 Cu-8.8Al-4.5Ni-4.5Fe 합금의 미세구조 분석 및 내마모성에 관한 연구)

  • Lee, M.K.;Hong, S.M.;Kim, G.H.;Kim, K.H.;Kim, W.W.
    • Journal of the Korean Society for Heat Treatment
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    • v.17 no.6
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    • pp.346-355
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    • 2004
  • The flame quenching process has been employed to modify the surfaces of commercial marine propeller material, aluminum bronze alloy (Cu-8.8Al-5Ni-5Fe), and the microstructure, hardness and wear properties of the flame-quenched layers have been studied. The thermal history was accurately monitored during the process with respect to both the designed maximum surface temperature and holding time. The XRD and EDX analyses have shown that at temperatures above $T_{\beta}$, the microstructure consisting of ${\alpha}+{\kappa}$ phases changed into the ${\alpha}+{\beta}^{\prime}$ martensite due to an eutectoid reaction of ${\alpha}+{\kappa}{\rightarrow}{\beta}$ and a martensitic transformation of ${\beta}{\rightarrow}{\beta}^{\prime}$. The ${\beta}^{\prime}$ martensite phase formed showed a face-centered cubic (FCC) crystal structure with the typical twinned structure. The hardness of the flame-quenched layer having the ${\alpha}+{\beta}^{\prime}$ structure was similar to that of the ${\alpha}+{\kappa}$ structure and depended sensitively on the size and distribution of hard ${\kappa}$ and ${\beta}^{\prime}$ phases with depth from the surface. As a result of the sliding wear test, the wear resistance of the flame-quenched layer was markedly enhanced with the formation of the ${\beta}^{\prime}$ martensite.