• Title/Summary/Keyword: $C_s$ symmetry

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The Crystal and Molecular Structure of Sulfadiazine (Sulfadiazine의 結晶 및 分子構造)

  • Shin Hyun So;Ihn Gwon Shik;Kim Hoon Sup;Koo Chung Hoe
    • Journal of the Korean Chemical Society
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    • v.18 no.5
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    • pp.329-340
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    • 1974
  • Sulfadiazine, $C_{10}H_{10}N_4O_2S$, forms monoclinic crystals of space group $P21}c$ from a mixture of acetone and ethanol with $a=13.71{\pm}0.04,\;b=5.84{\pm}0.03,\;c=15.11{\pm}0.05{\AA},\;{\beta}=115.0{\pm}0.3^{\circ}$, and four molecules per cell. Three dimensional photographic data were collected with $CuK\alpha$ radiation. The structure was determined using Patterson and Fourier synthesis methods and refined by block diagonal least-squares methods with isotropic thermal parameter for all non-hydrogen atoms. The final R value was 0.15 for the 1517 observed independent reflections. The dihedral angle between the planes through the benzene ring and the pyrimidine ring is $76^{\circ}$. The conformational angle formed by the projection of the S-C(5) bond with that of N(1)-C(1) where the projection is taken along the S-N(1) bond is $77^{\circ}$. The imino nitrogen atom, N(1), and pyrimidine nitrogen atom, N(3), form intermolecular $N-H{\cdots}N$ hydrogen bond between the molecules related by center of symmetry. Amino nitrogen atom, N(4), forms two intermolecular $N-H{\cdots}O$ hydrogen bonds, with O(1) and O(2) atoms of different molecules separated by b. A two dimensional network of hydrogen bonds form infinite molecular sheets parallel to the (100) plane. Adjacent sheets are bound together by van der Waals forces.

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The Effect of Barium Sulfate on the Structural Transformations in Tricalcium Silicate (3CaO.$SiO_2$의 구조전이에 미치는 $BaSO_4$의 영향)

  • 서일영;최상흘
    • Journal of the Korean Ceramic Society
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    • v.11 no.2
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    • pp.17-21
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    • 1974
  • Miscibility of barium sulfate in tricalcium silicate was investigated by firing 3CaCO3·SiO2 mixture containing barium sulfate at 1530℃. Added amount of barium sulfate to the mixture was zero to 5 mole % with intervals of 1 mole %. Lattice parametres were also calculated. Results were as follow; 1) Dissolution of barium sulfate in tricalcium silicate does not alter the symmetry in room temperature, but influences it's polymorphic transition forms, temperatures and thermal effects; modification triclinic Ⅱ is stabilized in room temperature. 2) Barium sulfate dissolves about up to 2 mole % in tricalcium silicate and more than this amount, tricalcium silicate formation is inhibited. 3) Unit cell volume of tricalcium silicate is slightly decreased with dissolution of barium sulfate, mainly because of contraction in c axis.

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A Study on the Forging of Cylindrical Parts with Internal Serrations (내부에 세레이션홈이 존재하는 원통형 제품의 단조에 관한 연구)

  • Park, J.C.;Cho, H.Y.;Min, G.S.
    • Journal of the Korean Society for Precision Engineering
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    • v.14 no.6
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    • pp.142-148
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    • 1997
  • In this paper, forging of internal triangular and involute serrations are analyzed by upper bound method. Kinematically admissible velocity fields for half pitch of the serration were proposed. It was assumed that the shape flow surface during forging is a straight line perpendicular to plane of symmetry. Using the suggested velocity fields, forging loads and relative pressures were calculated by numerical method. Experiments were carride out with commercial AI 2024 aluminium alloy. As a result, the calculated solutions are good agreement with experimental results, so it is useful to predict the loads for forging of internal serrations.

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Numerical Analyses of Three-Dimensinal Thermo-Fluid Flow through Mixing Vane in A Subchannel of Nuclear Reactor (원자로 부수로내 혼합날개를 지나는 삼차원 열유동 해석)

  • Choi S.C.;Kim K.Y.
    • 한국전산유체공학회:학술대회논문집
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    • 2002.05a
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    • pp.79-87
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    • 2002
  • The present work analyzed the effect of mixing vane shape on the flow structure and heat transfer downstream of mixing vane in a subchannel of fuel assembly, by obtaining velocity and pressure fields, turbulent intensity, flow-mixing factors, heat transfer coefficient and friction factor using three-dimensional RANS analysis. NJl5, NJ25, NJ35, NJ45, which were designed by the authors, were tested to evaluate the performances in enhancing the heat transfer. Standard $\kappa-\epsilon$ model is used as a turbulence closure model, and, periodic and symmetry conditions are set as boundary conditions. The flow blockage ratio is kept constant, but the twist angle of mixing vane is changed. The results with three turbulence models( $\kappa-\epsilon$, $\kappa-\omega$, RSM) were compared with experimental data.

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ZnO 박막을 이용한 광재료 개발 현황

  • 서효원;정연식;최원국
    • Electrical & Electronic Materials
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    • v.17 no.5
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    • pp.13-20
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    • 2004
  • 1996년 GaN와 near band edge emission(NBE) 및 yellow deep-defect level emission의 발광 기구가 ZnO의 greene mission과 매우 유사하다는 점이 발견된 이 후[1,2], II-VIZnO반도체에 대한 광학적 성질에 많은 관심이 집중되기 시작하였다. 1960년대 C. Klingshirin[3]에 의해 bulk ZnO의 exciton luminescence가 관측된 이래로, 1980년대 후반부터 적층 박막 성장 법들이 급속도로 발전을 하여 오고 1988 S. Bethke등이 CVD로 성장한 ZnO의 NBE emission에 관심을 갖기 시작하였고[4], 1996년 2K에서 GaN, ZnO사이의 유사한 발광기구가 알려졌고[5], 도호쿠 및 일본 공업대에서 ZnO의 적층 성장 및 상온에서 defect에 기인한 emission이 없는 깨끗한 PL 의 관측, 상온 lasing, 육방정계 결정 구조에서 비롯된 6-fold symmetry PL 등이 보고되기 시작하였다. [6-8] 2000년에 들어서면서 MgO와 CdO와의 solid solution에 의한 밴드갭을 2.6-4.2 eV 까지 조절하는 가능성이 보고되었고 이를 이용한 ZnO/MgZnO MQW 구조에 대한 연구도 병행되었다.(중략)

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Finite Element Simulation of a Porthole Die Extrusion Process for Manufacturing Aluminum Heat Radiation Pipe (알루미늄 방열 파이프의 생산 목적의 포트홀 금형 압출공정의 유한요소해석)

  • Lee, M.C.;Cho, J.H.;Park, J.H.;Joun, M.S.
    • Proceedings of the Korean Society for Technology of Plasticity Conference
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    • 2008.05a
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    • pp.458-461
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    • 2008
  • We carry out non-steady state finite element simulation of a porthole extrusion process for manufacturing a radiation pipe under isothermal assumption. It is assumed that welding takes place at the moment that the material contacts the plane of symmetry. Welding phenomena are revealed by observing the contacting mechanism of the material passed through the portholes. It is emphasized that mesh density control and intelligent remeshing during welding process govern the solution accuracy and the program applicability. AFDEX 3D is employed.

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Two Polymorphs of Structures of $\alpha,\alpha$-Trehalose Octaacetate Monohydrate

  • Park, Young-Ja;Shin, Jung-Mi
    • Bulletin of the Korean Chemical Society
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    • v.14 no.2
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    • pp.200-206
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    • 1993
  • Structures of two polymorphs of ${\alpha},{\alpha}$-trehalose octaacetate monohydrate, $C_{28}H_{38}O_{19}\;{\cdot}\;H_2O$, have been studied by X-ray diffraction method. ${\alpha},{\alpha}$-trehalose (${\alpha}$-D-glucopyranosyl ${\alpha}$-D-glucopyranoside) is a nonreducing disaccharide. The polymorph I belongs to the monoclinic $P2_1$, and has unit cell parameters of a=10.725(l), b=15.110(4), c=11.199(5) ${\AA}$, ${\beta}=108.16(2)^{\circ}$ and Z=2. The polymorph II is orthorhombic $P2_12_12_1$, with a=13.684(4), b=15.802(4), c=17.990(9) ${\AA}$ and Z=4. The final R and R$_w$ values for monoclinic polymorph I are 0.043 and 0.048 and for orthorhombic polymorph II are 0.116 and 0.118, respectively. Those R values of polymorph II are high because the large thermal motions of acetyl groups and the poor quality of the crystal. The molecular conformations in the two polymorphs are similar. Both D-glucopyranosyl rings have chair $^4C_1$ conformations and atoms of glycosidic chain ${\alpha}(1{\rightarrow}1)$ linkage are coplanar. The primary acetate groups of the pyranose residues assume both gauche-trans conformations. The molecules of two polymorphs have pseudo-C$_2$ symmetry at glycosidic O(1) atom. The bond lengths and angles are normal compared with those in other acetylated sugar compounds. The molecules in the monoclinic crystal are held by the hydrogen bonds with the water molecules and by van der Waals forces.

A Study on Gait Imbalance Estimation System using 3-axis Accelerometer (3축 가속도 센서를 이용한 보행 불균형 평가 시스템에 관한 연구)

  • Choi, C.H.;Park, Y.D.;Sim, H.M.;Lee, S.M.
    • Journal of rehabilitation welfare engineering & assistive technology
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    • v.9 no.1
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    • pp.37-43
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    • 2015
  • In this paper, an efficient system using 3-axis accelerometer is proposed to diagnose the gait imbalance. The proposed hardware system consists of two 3-axis accelerometers to measure 3 directional acceleration of ankles and an embedded system to transfer the data. The acquired data were normalized and then compared to analyze the symmetry between normal and abnormal gait with ROCC (ratio of correlation coefficient). 10 healthy subjects were participated and each subject repeated the experiment 5 times. To make unbalanced ambulation, the height of the heel of one foot was changed during experiments. From the results, it is verified that ROCC index grew apart from the reference according to growing imbalance and the proposed system could be available for estimation of gait imbalance.

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Implementation of Multiplierless Interpolation FIR Filters for IMT-2000 Systems (IMT-2000 시스템을 위한 승산기를 사용하지 않는 인터폴레이션 FIR 필터 구현)

  • 임인기;정희범;김경수;김환우
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.27 no.10C
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    • pp.1008-1014
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    • 2002
  • This paper is concerned about multiplierless interpolation FIR filters. In this paper, we propose a filter that performs T tap 1:N interpolation FIR filter operation with B-bit inputs without using multipliers. This is done by applying a method which converts a 2s complement multi-bits input to multiple single-bit inputs and a lookup table minimization method which reduces the size of lookup tables by use of the symmetry of filter coefficients and the symmetry of each lookup table. Two FIR filters are implemented using the methods proposed in this paper. Each of the two filters respectively follows the two design parameters in the specification of IMT-2000. Those two FIR filters have an advantage that the number of required gates is reduced up to 70% comparing to that of a conventional transversal FIR filter.

Preparation and Structure Properties of LaBa2Cu2O9, LaBa22CaCu3O12 and LaBa2Ca2Cu5O15 Perovskites

  • Kareem Ali Jasim;Hind Abdulmajeed Mahdi;Rafah Ismael Noori;Marwa Ayad Abdulmajeed
    • Korean Journal of Materials Research
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    • v.33 no.9
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    • pp.367-371
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    • 2023
  • In this study we examine variations in the structure of perovskite compounds of LaBa2Cu2O9, LaBa22CaCu3O12 and LaBa2Ca2Cu5O15 synthesized using the solid state reaction method. The samples' compositions were assessed using X-ray fluorescence (XRF) analysis. The La: Ba: Ca: Cu ratios for samples LaBa2Cu2O9, LaBa22CaCu3O12 and LaBa2Ca2Cu5O15 were found by XRF analysis to be around 1:2:0:2, 1:2:1:3, and 1:2:2:5, respectively. The samples' well-known structures were then analyzed using X-ray diffraction. The three samples largely consist of phases 1202, 1213, and 1225, with a trace quantity of an unknown secondary phase, based on the intensities and locations of the diffraction peaks. According to the measured parameters a, b, and c, every sample has a tetragonal symmetry structure. Each sample's mass density was observed to alter as the lead oxide content rose. Scanning electron microscope (SEM) images of the three phases revealed that different Ca-O and Cu-O layers can cause different grain sizes, characterized by elongated thin grains, without a preferred orientation.