• Title/Summary/Keyword: Unit Structure Matrix

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The Crystal Structure of $C_{13}H_{15}N_3O_3$ ($C_{13}H_{15}N_3O_3$의 결정 구조)

  • Park, Hai-Yoon;Kim, Moon-Jib;Park, Ho-Jong
    • Korean Journal of Crystallography
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    • v.15 no.1
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    • pp.24-28
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    • 2004
  • The structure of $C_{12}H_{15}N_3O_3$ has been determined by X-ray diffraction methods. The crystal system is monoclinic, space group $P2_1/c$, unit cell constants, a = 12.9955(9) ${\AA}$, b = 7.7137(5) ${\AA}$, c = 13.4699(11) ${\AA}$, ${\beta}$ = 107.86(1)$^{\circ}$, V = 1285.2(1) ${\AA}^3$, T = 296 K, Z = 4, $D_c$ = 1.350 $Mgm^{-3}$. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated Mo $K{\alpha}$ radiation (${\lambda}$ = 1.71073 ${\AA}$). The molecular structure was solved by direct methods and refined by full-matrix least squares to a final R = 4.19% for 1644 unique observed $F_0\;>\;4{\sigma}(F_0)$ reflections 193 parameters.

The Crystal Structure of Cantharidin $(C_{10}H_{12}O_{4})$ (Cantharidin$(C_{10}H_{12}O_{4})$의 결정 구조)

  • 김문집;박호종;김대영;이종수
    • Korean Journal of Crystallography
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    • v.13 no.2
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    • pp.91-95
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    • 2002
  • The structure of Cantharidin (Hexahydro-3a,7a-dimethy1-4,7-epoxyisobenzofuran-1,3-dione, C/sub 10/H/sub 12/O/sub 4/)has been determined by X-ray diffraction methods. The crystal system is orthorhombic, space group Pna2/sub 1/, unit cell constants, a=11.0731(9) (equation omitted), b=6.7344(4) (equation omitted), c=12.5000(9) (equation omitted), α=β=γ=90°, V=932.13(12) (equation omitted), T=296K, Z=4, D/sub c/=1.398Mgm/sup -3/. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated MoKα radiation(λ=0.71073(equation omitted)). The molecular structure was solved by direct methods and refined by full-matrix least squares to a final R=4.42% for 759 unique observed F/sub o/>4σ(F/sub o/) reflections and 140 parameters.

The Crystal Structure of Bis(ethylenediamine)palladium(II)-Bis(oxalato)palladate(II) (Bis(ethylenediamine)palladium(II)-Bis(oxalato)palladate(II)의 결정구조)

  • Go, Gi-Yeong;Nam, Gung-Hae;Han, Sang-Gon
    • Korean Journal of Crystallography
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    • v.9 no.1
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    • pp.71-76
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    • 1998
  • Crystal structure of Bis(ethylenediamine)palladium(II)-Bis(oxalato)palladate(II0 has been determined by X-ray crystallography. Crystal data : (Pd(C2H8N2)2.Pd(C2O4)2), Fw=509.04, Monocline, Space Group P21/c (no=14), a=6.959(2), b=13.506(2), c=15.339(2) Å, β=99.94(3), Z=4, V=1420 Å3, Dc=2.380 gcm-3, μ=25.46cm-1, F(000)=992. The intensity data were collected with Mo-Kα radiation (λ=0.7107 Å) on an automatic four-circle diffractometer with a graphite monochromater. The structure was solved by Patterson method and refined by full matrix least-square methods using unit weights. The final R and S values were R=0.021, Rw=0.030, Rall=0.032 abd S=2.1 for 1472 observed reflections. The essentially planar complex anions form diade of interplanar distances of 3.41 Å and their diads are stacked along aaxis with interplanar separation of 3.44 Å.

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Structure of a Copper(Ⅱ) Hexaazamacrotricyclic Complex : (1,3,6,9,11,14-Hexaazatricyclo[12.2.1.16,9]octadecane)-copper(Ⅱ) Perchlorate

  • Cheon Manseog;Suh Paik Myunghyun;Shin Whanchul
    • Bulletin of the Korean Chemical Society
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    • v.13 no.4
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    • pp.363-367
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    • 1992
  • The crystal structure of (1,3,6,9,11,14-hexaazatricycol[12.2.1.$1^{6,9}$]octadecane)copper(Ⅱ) perchlorate, Cu($C_{12}H_{26}N_6$)$(ClO_4)_2$, has been determined by the X-ray diffraction methods. The crystal data are as follows: Mr=516.9, triclinic, ${\alpha}=8.572\;(2)$, b=8.499 (3), c=15.204 (3) ${\AA}$, ${\alpha}=80.42\;(5),\;{\beta}=73.57\;(3),\;{\gamma}=69.82\;(4)^{\circ},\;V=994.2\;{\AA}^3,\;D_C=1.726\;gcm^{-3}$, space group $P{\tilde{1}},\;Z=2,\;{\mu}=21.27\;cm^{-1}&, F(000)=534 and T=297 K. The structure was solved by direct methods and refined by full-matrix least-squares methods to and R value of 0.081 for 1608 observed reflections measured with graphite-mono-chromated Mo Ka radiation on a diffractometer. There are two independent complexes in the unit cell. The two copper ions lie at the special positions (1/2, 0, 0) and (0, 1/2, 1/2)and each complex possesses crystallographic center of symmetry. Each Cu ion is coordinated to four nitrogen donors if the hexaazamacrotricyclic ligand and weakly interacts with two oxygen atoms of the perchlorate ions to form a tetragonally distorted octahedral coordination geometry. The Cu_N (sec), Cu_N(tert) and Cu_O coordination distances are 1.985 (14), 2.055 (14) and 2.757 (13) ${\AA}$ for the complex A and 1.996 (10), 2.040 (11) and 2.660 (13) ${\AA}$ for the complex B, respectively. The macrocycles in the two independent cations assume a similar conformation with the average r.m.s. deviation of 0.073 ${\AA}$. Two 1,3-diazacyclopentane ring moieties of the hexaazamacrotricyclic ligand are placed oppositely and almost perpendicularly to the square coordination plane of the ruffled 14-membered macrocycle. The secondary N atoms are hydrogen-bonded to the perchlorate O atoms with distances of 3.017 (23) and 3.025 (19) ${\AA}$ for the complexes A and B, respectively.

Level Set based Topological Shape Optimization of Phononic Crystals (음향결정 구조의 레벨셋 기반 위상 및 형상 최적설계)

  • Kim, Min-Geun;Hashimoto, Hiroshi;Abe, Kazuhisa;Cho, Seonho
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.25 no.6
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    • pp.549-558
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    • 2012
  • A topology optimization method for phononic crystals is developed for the design of sound barriers, using the level set approach. Given a frequency and an incident wave to the phononic crystals, an optimal shape of periodic inclusions is found by minimizing the norm of transmittance. In a sound field including scattering bodies, an acoustic wave can be refracted on the obstacle boundaries, which enables to control acoustic performance by taking the shape of inclusions as the design variables. In this research, we consider a layered structure which is composed of inclusions arranged periodically in horizontal direction while finite inclusions are distributed in vertical direction. Due to the periodicity of inclusions, a unit cell can be considered to analyze the wave propagation together with proper boundary conditions which are imposed on the left and right edges of the unit cell using the Bloch theorem. The boundary conditions for the lower and the upper boundaries of unit cell are described by impedance matrices, which represent the transmission of waves between the layered structure and the semi-infinite external media. A level set method is employed to describe the topology and the shape of inclusions. In the level set method, the initial domain is kept fixed and its boundary is represented by an implicit moving boundary embedded in the level set function, which facilitates to handle complicated topological shape changes. Through several numerical examples, the applicability of the proposed method is demonstrated.

Robust Design of the Vibratory Gyroscope with Unbalanced Inner Torsion Gimbal Using Axiomatic Design (공리적 설계를 이용한 비대칭 내부 짐벌을 가진 진동형 자이로스코프의 강건설계)

  • Park, Gyeong-Jin;Hwang, Gwang-Hyeon;Lee, Gwon-Hui;Lee, Byeong-Ryeol;Jo, Yong-Cheol;Lee, Seok-Han
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.26 no.5
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    • pp.914-923
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    • 2002
  • Recently, there has been considerable interest in micro gyroscopes made of silicon chips. It can be applied to many micro-electro-mechanical systems (MEMS): devices for stabilization, general rate control, directional pointing, autopilot systems, and missile control. This paper shows how the mechanical design of the gyroscope can be done using axiomatic design, followed by the application of the Taguchi robust design method to determine the dimensions of the parts so as to accommodate the dimensional variations introduced during manufacturing. Functional requirements are defined twofold. One is that the natural frequencies should have fixed values, and the other is that the system should be robust to large tolerances. According to the Independence Axiom, design parameters are classified into a few groups. Then, the detailed design process is performed fellowing the sequence indicated by the design matrix. The dimensions of the structure are determined to have constant values fur the difference of frequencies without consideration of the tolerances. It is noted that the Taguchi concept is utilized as a unit process of the entire axiomatic approach.

The Crystal Structure of a Bromine Sorption Complex of Dehydrated Fully $Ca^{2+}$-Exchanged zeolite A (칼슘이온으로 완전히 치환한 제올라이트 A를 탈수한 후 브롬을 흡착한 결정구조)

  • Jang, Se-Bok;Han, Young-Wook;Moon, Sung-Doo;Kim, Yang
    • Journal of the Korean Chemical Society
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    • v.35 no.6
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    • pp.630-635
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    • 1991
  • The crystal structure of a bromine sorption complex of dehydrated fully $Ca^{2+}$-exchanged zeolite A (a = 12.211(2) ${\AA}$) has been determined by single-crystal X-ray diffraction techniques in the cubic space group, Pm3m at $21(1)^{\circ}C$. The crystal was prepared by dehydration at $360^{\circ}C$ and 2 ${\times}$ $10^{-6}$ Torr for 2 days, followed by exposure to about 180 Torr of bromine vapor at $24^{\circ}C$ for 30 min. In the resulting structure, six $Ca^{2+}$ ions are located on two different threefold axes associated with 6-ring oxygens. A total of six dibromine molecules are sorbed per unit cell. Each $Br_2$ molecule approaches a framework oxide ion axially, with O-Br = 3.12(7) ${\AA}$, Br-Br = 2.64(9) ${\AA}$ and O-Br-Br = $178(2)^{\circ}$, indicating a charge-transfer interaction. Full-matrix least-squares refinement converged to a conventional R index of 0.104 using the 103 independent reflections for which I > 3${\sigma}$ (I).

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The Crystal and Molecular Structure of P-Aminobenzaldehyde Cyclohexylthiosemicarbazone (P-Aminobenzaldehyde Cyclohexylthiosemicarbazone의 결정 및 분자구조)

  • Chung Hoe Koo;Chong Hee Kim;Young Ja Park
    • Journal of the Korean Chemical Society
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    • v.25 no.6
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    • pp.343-350
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    • 1981
  • The crystal and molecular structure of P-aminobenzaldehyde cyclohexylthiosemicarbazone, C14H20N4S, has been determined from 2712 integrated intensities measured on a computer controlled four circle diffractometer with monochromated $CuK_{\alpha}$, X-ray radiation. The crystals are monoclinic, space group C2/c with eight molecules in a unit cell of dimensions, a = 12.488(2), b = 12.276(4), c = 19.997(6)${\AA}$ and ${\beta}=103.55(3)^{\circ}$. The structure was solved by Patterson and Fourier method and refined by a full-matrix least squares method to a final R value of 0.058 for all reflections. The C(8)-S bond is trans to N(2)-N(3) and C(8)-N(1) is cis to N(2)-N(3) bond. The cyclohexane ring has chair conformation and makes an angle of $40.7^{\circ}$ with the benzene ring. The molecules are linked by N(2)H…S hydrogen bonds into dimer-like units which are held together by $N-H{\ldots}N$ hydrogen bonds. Sulfur accepts second rather weak hydrogen bond from N(4). An intramolecular hydrogen bond exists between N(1) and N(3) atoms.

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GPGPU Acceleration of SAT Algorithm with Propagation Routine Parallelization (전달 루틴의 병렬화를 통한 SAT 알고리즘의 GPGPU 가속화)

  • Kang, Hyeong-Ju
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.20 no.10
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    • pp.1919-1926
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    • 2016
  • Because of the enormous processing ability, General-Purpose Graphics Processing Unit(GPGPU) has been applied to many fields including electronics design automation. The SAT algorithm is one of the core algorithm in many electronics design automation tools. There has been some efforts to apply GPGPU to the SAT algorithm, but it is difficult to parallelize the SAT algorithm because of its characteristics. In this paper, I applied GPGPU to the SAT algorithm by parallelizing the propagation routine that is relatively suitable to parallel processing. On the basis of the similarity of the propagation routine to the sparse matrix multiplication, the data structure for the SAT problem is constituted, and the parallel propagation routine is described. To prevent data loss between paralllel threads, atomic operations are exploited. The experimental results for some benchmark SAT problems show that the proposed algorithm is superior to the previous GPGPU-based SAT solver.

Frequency-Dependent Line Capacitance and Conductance Calculations of On-Chip Interconnects on Silicon Substrate Using Fourier cosine Series Approach

  • Ymeri, H.;Nauwelaers, B.;Vandenberghe, S.;Maex, K.;De Roest, D.;Stucchi, M.
    • JSTS:Journal of Semiconductor Technology and Science
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    • v.1 no.4
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    • pp.209-215
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    • 2001
  • In this paper a method for analysis and modelling of coplanar transmission interconnect lines that are placed on top of silicon-silicon oxide substrates is presented. The potential function is expressed by series expansions in terms of solutions of the Laplace equation for each homogeneous region of layered structure. The expansion coefficients of different series are related to each other and to potentials applied to the conductors via boundary conditions. In the plane of conductors, boundary conditions are satisfied at $N_d$ discrete points with $N_d$ being equal to the number of terms in the series expansions. The resulting system of inhomogeneous linear equations is solved by matrix inversion. No iterations are required. A discussion of the calculated line admittance parameters as functions of width of conductors, thickness of the layers, and frequency is given. The interconnect capacitance and conductance per unit length results are given and compared with those obtained using full wave solutions, and good agreement have been obtained in all the cases treated

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