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DFT Study for p-tert-Butylcalix[4]arene Crown Ether Bridged at the Lower Rim with Pyridyl Unit Complexed with Potassium Ion

  • Choe, Jong-In
    • Bulletin of the Korean Chemical Society
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    • v.28 no.12
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    • pp.2310-2314
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    • 2007
  • Stable molecular conformations were calculated for the p-tert-butylcalix[4]arene crown ether bridged at the lower rim with pyridyl unit (1) in the various conformers and their potassium-ion complexes. The structures of three distinct conformations have been optimized using DFT B3LYP/6-31G(d,p) method. Relative stability of free host 1 is in following order: cone (most stable) > partial-cone > 1,3-alternate conformer. For two different kinds of complexation mode, the potassium cation in the crown-ether moiety (cr) has much better complexation efficiency than in the benzene-rings (bz) pocket for all three kinds of conformation of host molecule 1. The relative stability of complex (1+K+) in the cr-binding mode is in following order: partial-cone (most stable) ~ cone > 1,3-alternate conformer.

Improvement of the Carbon Nanotube Tip by Focused Ion Beam and it Performance Evaluation (탄소나노튜브 팁의 집속이온빔에 의한 개선 및 성능 평가)

  • Han, Chang-Soo;Shin, Young-Hyun;Yoon, Yu-Hwan;Lee, Eung-Sug
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.31 no.1 s.256
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    • pp.139-144
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    • 2007
  • This paper presents development of carbon nanotube (CNT) tip modified by focused ion beam (FIB) and experimental results in non-contact mode of atomic force microscopy (AFM) using fabricated tip. We used an electric field which causes dielectrophoresis, to align and deposit CNTs on a conventional silicon tip. The morphology of the fabricated CNT tip was then modified into a desired shape using focused ion beam. We measured anodic aluminum oxide sample and trench structure to estimate the performance of FIB-modified tip and compared with those of conventional Si tip. We demonstrate that FIB modified tip in non contact mode had superior characteristics than conventional tip in the respects of wear, image resolution and sidewall measurement.

Radiation Problem Involving Two-layer Fluid in Frequency-Domain Numerical Wave Tank Using Artificial Damping Scheme (주파수 영역에서 인공감쇠기법을 활용한 복층 유체의 수치조파수조 방사 문제)

  • Min, Eun-Hong;Koo, Weoncheol
    • Journal of Ocean Engineering and Technology
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    • v.31 no.1
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    • pp.1-7
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    • 2017
  • There are two wave modes induced by an oscillating body on the free surface of a two-layer fluid: the barotropic and baroclinic modes. To investigate the generated waves composed of two modes, a radiation problem involving a heaving rectangular body was solved in a numerical wave tank. A new artificial damping zone scheme was developed and applied in the frequency-domain analysis. The performance of this damping scheme was compared with given radiation boundary conditions for various conditions. The added mass and radiation damping coefficients for the heaving rectangular body were also calculated for various fluid-density ratios.

Effect of {10ī2} Twinning Characteristics on the Deformation Behavior of Rolled AZ31 Mg Alloy ({10ī2} 쌍정 특성이 AZ31 마그네슘 합금 압연재의 변형거동에 미치는 영향)

  • Park, S.H.;Hong, S.G.;Lee, J.H.;Lee, C.S.
    • Transactions of Materials Processing
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    • v.19 no.7
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    • pp.416-422
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    • 2010
  • The $\{10\bar{1}2\}$ twinning characteristics, such as active twin variants, volume fraction of twins with strain, twin morphology, twin texture and angle relationship between twins, were dependent on the activation mode (i.e., tension parallel to the caxis or compression perpendicular to the c-axis). The selection criterion of active twin variants was governed by the Schmid law. This activation of selected twin variants depending on the activation mode consequently caused a totally different plastic deformation behavior in two activation modes. The differences in the deformation characteristics, such as flow stress and work hardening rate, between both activation modes were explained in relation with activation stresses for slips and twinning, relative activities of twinning and slips during plastic deformation, grain refining effect by twin boundaries (Hall-Petch effect), and twinning-induced change in activities of slips.

Application of Clustering Methods for Interpretation of Petroleum Spectra from Negative-Mode ESI FT-ICR MS

  • Yeo, In-Joon;Lee, Jae-Won;Kim, Sung-Hwan
    • Bulletin of the Korean Chemical Society
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    • v.31 no.11
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    • pp.3151-3155
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    • 2010
  • This study was performed to develop analytical methods to better understand the properties and reactivity of petroleum, which is a highly complex organic mixture, using high-resolution mass spectrometry and statistical analysis. Ten crude oil samples were analyzed using negative-mode electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS). Clustering methods, including principle component analysis (PCA), hierarchical clustering analysis (HCA), and k-means clustering, were used to comparatively interpret the spectra. All the methods were consistent and showed that oxygen and sulfur-containing heteroatom species played important roles in clustering samples or peaks. The oxygen-containing samples had higher acidity than the other samples, and the clustering results were linked to properties of the crude oils. This study demonstrated that clustering methods provide a simple and effective way to interpret complex petroleomic data.

Output Voltage Ripple Analysis of Quantum Series Resonant Converter (QSRC의 출력전압맥동해석)

  • 임성운;권우현;조규형
    • Journal of the Korean Institute of Telematics and Electronics B
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    • v.31B no.3
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    • pp.141-149
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    • 1994
  • In this paper, we could find optimum quantum sequence(OQS) to minimize the output ripple voltage of the quantum series resonant converter(QSRC). This sequence control is so general that it is irrelevant to the voltage gain so far as it is operating in the continuous conduction mode(CCM). Further more the dynamic range of QSRC is much extended by the optimum quantum sequence control(OQSC). Througuout the time-domain analysis, the solution of steady state and the boundary condition between continuous and discontinuous mode is QSRC is obtained. This feature is verified by simulations and experiments with good agreements.

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Mobile Communications System and Its Development Vision (이동통신 시스템과 개발 비전(I))

  • 조규심
    • Journal of the Korean Professional Engineers Association
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    • v.31 no.1
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    • pp.9-16
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    • 1998
  • For the flow facing high1y informationized age, there is a flow from fixed communications connecting fixed places such as offices and homes to mobile communications connecting mobile objets such as automobiles, ships and aircraft. This flow has added to diversifying communications Including data and images. While the axed mode is diversifying information media by digitalization of communications network and computers, the mobile mode has brought higher sophistication of communication modes by a higher degree of electric wave utilization. The following descriptions outlines the mobile communication which is utilizing the electric wave phenomena. In sequence the following items are described: a brief history of mobile communications, the technical object and various kinds of services, propagation of electric wave signal.

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A Study on the Sliding Mode Control of Nonlinear Systems (비선형 시스템의 슬라이딩 보드 제어에 관한 연구)

  • 이태봉;박윤열;한상수
    • Journal of the Korean Institute of Telematics and Electronics B
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    • v.31B no.5
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    • pp.58-64
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    • 1994
  • In this paper, a robust control scheme of a nonlinear system with norm bounded uncertainty is studied. The proposed algorithm is based on variable structure systems (VSS) theory. the sliding mode which is robust to plant uncertainty and disturbances is obtained by regulating a sliding surface equation. This VSS control law can improve the robustness of control systems by adjusting the minimum reaching velocity in a reaching phase. A numerical example is given to verify the effectiveness of the control law.

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UTD-Supplemented Mode-matching Method Analysis of High-Frequency Wave Coupling into Large Parallel Plate Waveguides (모스정합을 결합한 UTD에 의한 큰 평행도파관의 고주파간섭 해석)

  • 권도훈;선영식;명노훈
    • Journal of the Korean Institute of Telematics and Electronics A
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    • v.31A no.10
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    • pp.48-53
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    • 1994
  • The problem of a plane wave impinging upon a semi-infinite paralle-plate waveguide is investigated. The interior fields can be analyzed by converting the initial field into vaveguide modes. Kirchhoff approximation is usually made at the waveguide aperture in the literature. In this paper, a modified approximation is made using the Uniform Gemetrical Theory of Diffraction(UTD). Numerical results show excellent agreement between UTD-supplemented mode-matching solution and UTD solution.

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Ultra-Low-Power Differential ISFET/REFET Readout Circuit

  • Thanachayanont, Apinunt;Sirimasakul, Silar
    • ETRI Journal
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    • v.31 no.2
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    • pp.243-245
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    • 2009
  • A novel ultra-low-power readout circuit for a pH-sensitive ion-sensitive field-effect transistor (ISFET) is proposed. It uses an ISFET/reference FET (REFET) differential pair operating in weak-inversion and a simple current-mode metal-oxide semiconductor FET (MOSFET) translinear circuit. Simulation results verify that the circuit operates with excellent common-mode rejection ability and good linearity for a single pH range from 4 to 10, while only 4 nA is drawn from a single 1 V supply voltage.

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