• Title/Summary/Keyword: continuum structures

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Crystal Structure and Tautomerism Study of the Mono-protonated Metformin Salt

  • Wei, Xiaodan;Fan, Yuhua;Bi, Caifeng;Yan, Xingchen;Zhang, Xia;Li, Xin
    • Bulletin of the Korean Chemical Society
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    • v.35 no.12
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    • pp.3495-3501
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    • 2014
  • A novel crystal, the mono-protonated metformin acetate (1), was obtained and characterized by elemental analysis, IR spectroscopy and X-ray crystallography. It was found that one of the imino group in the metformin cation was protonated along with the proton transfer from the secondary amino group to the other imino group. Its crystal structure was then compared with the previously reported diprotonated metformin oxalate (2). The difference between them is that the mono-protonated metformin cations can be linked by hydrogen bonding to form dimers while the diprotonated metformin cations cannot. Both of them are stabilized by intermolecular hydrogen bonds to assemble a 3-D supermolecular structure. The four potential tautomer of the mono-protonated metformin cation (tautomers 1a, 1b, 1c and 1d) were optimized and their single point energies were calculated by Density Functional Theory (DFT) B3LYP method based on the Polarized Continuum Model (PCM) in water, which shows that the most likely existed tautomer in human cells is the same in the crystal structure. Based on the optimized structure, their Wiberg bond orders, Natural Population Analysis (NPA) atomic charges, molecular electrostatic potential (MEP) maps were calculated to analyze their electronic structures, which were then compared with the corresponding values of the diprotonated metformin cation (cation 2) and the neutral metformin (compound 3). Finally, the possible tautomeric mechanism of the mono-protonated metformin cation was discussed based on the observed phenomena.

Development of the Near Infrared Camera System for Astronomical Application

  • Moon, Bong-Kon
    • The Bulletin of The Korean Astronomical Society
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    • v.35 no.1
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    • pp.39.2-39.2
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    • 2010
  • In this paper, I present the domestic development of near infrared camera systems for the ground telescope and the space satellite. These systems are the first infrared instruments made for astronomical observation in Korea. KASINICS (KASI Near Infrared Camera System) was developed to be installed on the 1.8m telescope of the Bohyunsan Optical Astronomy Observatory (BOAO) in Korea. KASINICS is equipped with a $512{\times}512$ InSb array enable L band observations as well as J, H, and Ks bands. The field-of-view of the array is $3.3'{\times}3.3'$ with a resolution of 0.39"/pixel. It employs an Offner relay optical system providing a cold stop to eliminate thermal background emission from the telescope structures. From the test observation, limiting magnitudes are J=17.6, H=17.5, Ks=16.1 and L(narrow)=10.0 mag at a signal-to-noise ratio of 10 in an integration time of 100 s. MIRIS (Multi-purpose InfraRed Imaging System) is the main payload of the STSAT-3 in Korea. MIRIS Space Observation Camera (SOC) covers the observation wavelength from $0.9{\mu}m$ to $2.0{\mu}m$ with a wide field of view $3.67^{\circ}{\times}3.67^{\circ}$. The PICNIC HgCdTe detector in a cold box is cooled down below 100K by a micro Stirling cooler of which cooling capacity is 220mW at 77K. MIRIS SOC adopts passive cooling technique to chill the telescope below 200K by pointing to the deep space (3K). The cooling mechanism employs a radiator, a Winston cone baffle, a thermal shield, MLI of 30 layers, and GFRP pipe support in the system. Opto-mechanical analysis was made in order to estimate and compensate possible stresses from the thermal contraction of mounting parts at cryogenic temperatures. Finite Element Analysis (FEA) of mechanical structure was also conducted to ensure safety and stability in launching environments and in orbit. MIRIS SOC will mainly perform the Galactic plane survey with narrow band filters (Pa $\alpha$ and Pa $\alpha$ continuum) and CIB (Cosmic Infrared Background) observation with wide band filters (I and H) driven by a cryogenic stepping motor.

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Ionized Fe Objects in UWIFE survey and IGRINS

  • Kim, Yesol;Koo, Bon-Chul;Pyo, Tae-Soo
    • The Bulletin of The Korean Astronomical Society
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    • v.42 no.1
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    • pp.54.1-54.1
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    • 2017
  • The UKIRT Wide-field Infrared survey for Fe+(UWIFE) is an unbiased survey of the first Galactic quadrant, with narrow-band filter centered on $1.644{\mu}m$. This survey covers $7^{\circ}$ < l < $62^{\circ}$ and |b| < $1.5^{\circ}$, where active interaction of stars and interstellar medium is expected. With median seeing of 0.8 arcsec, 5 - sigma detection limit of 18.7 mag and surface brightness limit of $8.1{\times}10^{-20}W\;m^{-2}arcsec^{-2}$, this survey gives an opportunity to statistically study Galactic [Fe II] - emitting sources for the first time. In order to identify Ionized Fe Objects (IFOs) in survey area systematically, we conducted visual inspection and automatic detection simultaneously. Total of ~300 extended IFOs are identified, most of them are found out to be part of supernova remnants (SNRs), young stellar objects, HII regions and planetary nebulae. The majority of IFOs are new discoveries which reveal shocked structures in high-extinction region. Spatial distribution of IFOs suggest that they trace Galactic structure. As a part of spectroscopic follow-up, we observed SNR candidate IFO J183740.829-061452.41 with IGRINS (Immersion Grating Infrared Spectrograph, Yuk+2010), mounted on 2.7m Harlan Smith telescope. This unknown arc-like, 6'-long IFO is coincident with inner part of radio continuum loop G25.8+0.2, which has been known as HII region. However, interior of this radio shell is filled with diffuse soft X-ray emission, and possible association of hard X-ray pulsar / pulsar wind nebula makes the nature of the IFO unclear. The H and K-band 2D spectrum shows shock-ionized [Fe II] filaments, which is apart from photoionized HII filaments. In this presentation we present basic statistics of newly identified IFOs, as well as the follow-up study of IFO J183740.829-061452.41.

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A Nonlinear Finite Element Formulation for Very Large Deformation based on Updated Material Reference Frame (변화되는 재료의 기준 물성치에 근거한 매우 큰 변화에 대한 비선형 유한요소의 정식화)

  • Yun, Young Muk;Park, Moon Ho
    • KSCE Journal of Civil and Environmental Engineering Research
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    • v.12 no.3
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    • pp.25-37
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    • 1992
  • A nonlinear finite element formulation which has the capability of handling very large geometrical changes is presented. The formulation is based on an updated material reference frame and hence true stress-strain test can be directly applied to properly characterize properties of materials which are subjected to very large deformation. For the large deformation, a consistent formulation based on the continuum mechanics approach is derived. The kinematics is referred to an updated material frame. Body equilibrium is also established in an updated geometry and the second Piola-Kirchhoff stress and the updated Lagrangian strain tensor are used in the formulation. Numerical examples for very large deformation of framed structures and plane solids are analyzed for verification purposes. The numerical solutions are obtained by an incremental numerical procedure. The importance of handing material properties properly is also demonstrated.

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Assessment of Blast-induced Vibration Using Dynamic Distinct Element Analysis (불연속체 동해석 기법을 이용한 발파진동 영향평가)

  • Park, Byung-Ki;Jeon, Seokwon;Park, Gwang-Jun;Do, Deog-Soo;Kim, Tae-Hoon;Jung, Du-Seop
    • Transactions of the Korean Society for Noise and Vibration Engineering
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    • v.15 no.12 s.105
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    • pp.1389-1397
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    • 2005
  • Since blast-induced vibration may cause serious problem to the rock mass as well as the nearby structures, the prediction of blast-induced nitration and the stability evaluation must be performed before blasting activities. Dynamic analysis has been increased recently in order to analyze the effect of the blast-Induced vibration. Most of the previous studies, however, were based on the continuum analysis unable to consider rock joints which significantly affect the wave propagation and attenuation characteristics. They also adopted pressure corves estimated tv theoretical or empirical equations as input detonation load, thus there were very difficult to reflect the characteristics of propagating media. In this study, therefore, we suggested a dynamic distinct element analysis technique which uses velocity waveform obtained from a test blast as an input detonation load. A distinct element program, UDEC was used to consider the effect of rock joints. In order to verify the validity of proposed method, the test blast was simulated. The predicted results from the proposed method showed a good agreement with the measured vibration data from the test blast. Through the dynamic numerical modelling on the planned road tunnel and slope, we evaluated the effect of blast-induced nitration and the stability of rock slope.

Field Application of a Cable NDT System for Cable-Stayed Bridge Using MFL Sensors Integrated Climbing Robot (누설자속센서를 탑재시킨 이동로봇을 이용한 사장교 케이블 비파괴검사 시스템의 현장 적용)

  • Kim, Ju-Won;Choi, Jun-Sung;Lee, Eun-Chan;Park, Seung-Hee
    • Journal of the Korean Society for Nondestructive Testing
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    • v.34 no.1
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    • pp.60-67
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    • 2014
  • In this study, an automated cable non-destructive testing(NDT) system was developed to monitor the steel cables that are a core component of cable-stayed bridges. The magnetic flux leakage(MFL) method, which is suitable for ferromagnetic continuum structures and has been verified in previous studies, was applied to the cable inspection. A multi-channel MFL sensor head was fabricated using hall sensors and permanent magnets. A wheel-based cable climbing robot was fabricated to improve the accessibility to the cables, and operating software was developed to monitor the MFL-based NDT research and control the climbing robot. Remote data transmission and robot control were realized by applying wireless LAN communication. Finally, the developed element techniques were integrated into an MFL-based cable NDT system, and the field applicability of this system was verified through a field test at Seohae Bridge, which is a typical cable-stayed bridge currently in operation.

Free vibration analysis of combined system with variable cross section in tall buildings

  • Jahanshahia, Mohammad Reza;Rahgozar, Reza
    • Structural Engineering and Mechanics
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    • v.42 no.5
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    • pp.715-728
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    • 2012
  • This paper deals with determining the fundamental frequency of tall buildings that consist of framed tube, shear core, belt truss and outrigger systems in which the framed tube and shear core vary in size along the height of the structure. The effect of belt truss and outrigger system is modeled as a concentrated rotational linear spring at the belt truss and outrigger system location. Many cantilevered tall structures can be treated as cantilevered beams with variable cross-section in free vibration analysis. In this paper, the continuous approach, in which a tall building is replaced by an idealized cantilever continuum representing the structural characteristics, is employed and by using energy method and Hamilton's variational principle, the governing equation for free vibration of tall building with variable distributed mass and stiffness is obtained. The general solution of governing equation is obtained by making appropriate selection for mass and stiffness distribution functions. By applying the separation of variables method for time and space, the governing partial differential equation of motion is reduced to an ordinary differential equation with variable coefficients with the assumption that the transverse displacement is harmonic. A power-series solution representing the mode shape function of tall building is used. Applying boundary conditions yields the boundary value problem; the frequency equation is established and solved through a numerical process to determine the natural frequencies. Computer program has been developed in Matlab (R2009b, Version 7.9.0.529, Mathworks Inc., California, USA). A numerical example has been solved to demonstrate the reliability of this method. The results of the proposed mathematical model give a good understanding of the structure's dynamic characteristics; it is easy to use, yet reasonably accurate and suitable for quick evaluations during the preliminary design stages.

Shape Design Sensitivity Analysis using Isogeometric Approach (CAD 형상을 활용한 설계 민감도 해석)

  • Ha, Seung-Hyun;Cho, Seon-Ho
    • Proceedings of the Computational Structural Engineering Institute Conference
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    • 2007.04a
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    • pp.577-582
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    • 2007
  • A variational formulation for plane elasticity problems is derived based on an isogeometric approach. The isogeometric analysis is an emerging methodology such that the basis functions in analysis domain arc generated directly from NURBS (Non-Uniform Rational B-Splines) geometry. Thus. the solution space can be represented in terms of the same functions to represent the geometry. The coefficients of basis functions or the control variables play the role of degrees-of-freedom. Furthermore, due to h-. p-, and k-refinement schemes, the high order geometric features can be described exactly and easily without tedious re-meshing process. The isogeometric sensitivity analysis method enables us to analyze arbitrarily shaped structures without re-meshing. Also, it provides a precise construction method of finite element model to exactly represent geometry using B-spline base functions in CAD geometric modeling. To obtain precise shape sensitivity, the normal and curvature of boundary should be taken into account in the shape sensitivity expressions. However, in conventional finite element methods, the normal information is inaccurate and the curvature is generally missing due to the use of linear interpolation functions. A continuum-based adjoint sensitivity analysis method using the isogeometric approach is derived for the plane elasticity problems. The conventional shape optimization using the finite element method has some difficulties in the parameterization of boundary. In isogeometric analysis, however, the geometric properties arc already embedded in the B-spline shape functions and control points. The perturbation of control points in isogeometric analysis automatically results in shape changes. Using the conventional finite clement method, the inter-element continuity of the design space is not guaranteed so that the normal vector and curvature arc not accurate enough. On tile other hand, in isogeometric analysis, these values arc continuous over the whole design space so that accurate shape sensitivity can be obtained. Through numerical examples, the developed isogeometric sensitivity analysis method is verified to show excellent agreement with finite difference sensitivity.

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A Polarimetric Study of Long-Period Comet C/2013 US10 (Catalina) and Estimation of Its Gas Contamination in Optical and Near-Infrared Wavelengths

  • Kwon, Yuna Grace;Ishiguro, Masateru;Kuroda, Daisuke;Hanayama, Hidekazu;Kawabata, Koji S.;Akitaya, Hiroshi;Itoh, Ryosuke;Nakaoka, Tatsuya
    • The Bulletin of The Korean Astronomical Society
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    • v.41 no.1
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    • pp.48.1-48.1
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    • 2016
  • Polarimetric study of light scattering from cometary dust particles can provide us opportunity to decipher their characteristics, such as sizes, structures, compositions of dust grains, etc. Herein, we present the results of our polarimetric study of long-period comet, C/2013 US10 (Catalina), in optical and near-infrared wavelengths which appeared at large phase angle (52.7 degrees) around the mid-December, 2015. We performed polarimetric and spectroscopic observations with HONIR, attached to the 1.5-m telescope at Higashi-Hiroshima Observatory, on UT 2015 December 17-18 and also obtained optical imaging data sets by the Ishigakijima Astronomical Observatory (IAO) and Okayama Astrophysical Observatory (OAO) taken between 2014-2015. By measuring the intensities of gas emission lines with respect to dust continuum and considering transmittance of each filter, we estimated that the percentages of gas contamination are approximately 10 percents in $R_C$-band and 3 percents in $I_C$-band. With these results, we derive the degree of linear polarization scattered solely from dust components in the coma. At this presentation, we will compare the phase-angle dependence of the degree of linear polarization with those of previous archive data in a wide coverage of wavelengths from $R_C$-band to $K_S$-band. Finally, we are supposed to discuss the spatial variations in polarization within the coma.

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Reliability-Based Topology Optimization Using Performance Measure Approach (성능함수법을 이용한 신뢰성기반 위상 최적설계)

  • Ahn, Seung-Ho;Cho, Seon-Ho
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.23 no.1
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    • pp.37-43
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    • 2010
  • In this paper, a reliability-based design optimization is developed for the topology design of linear structures using a performance measure approach. Spatial domain is discretized using three dimensional Reissner-Mindlin plate elements and design variable is taken as the material property of each element. A continuum based adjoint variable method is employed for the efficient computation of sensitivity with respect to the design and random variables. The performance measure approach of RBDO is employed to evaluate the probabilistic constraints. The topology optimizationproblem is formulated to have probabilistic displacement constraints. The uncertainties such as material property and external loads are considered. Numerical examples show that the developed topology optimization method could effectively yield a reliable design, comparing with the other methods such as deterministic, safety factor, and worst case approaches.