• Title/Summary/Keyword: 구조격자계

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Crystal Structure of Bithional Sulfoxide, $C_{12}H_6Cl_4O_3S$ (비치오놀 설폭사이드, C12H6Cl4O3S의 결정구조)

  • Sin, Hyeon So;Song, Hyeon
    • Journal of the Korean Chemical Society
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    • v.38 no.4
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    • pp.283-287
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    • 1994
  • The crystal stucture of bithional surfoxide, $C_{12}H_6Cl_4O_3S$, has been determined from 2295 independent reflections collected on an automated CAD-4 diffractometer with a graphite-monochromated $Mo-K\alpha$ radiation. The crystal belongs to the monoclinic, space group P2$_1$/n, with a unit cell dimensions a = 12.448(4), b = 9.740(1), c = $11.815(2)\AA$, $\beta$ = $100.06^{\circ}$, $\mu$ = 9.02 cm$^{-1}$, Dm = 1.76 g/cm$^3$, Dc = 1.75 g/cm$^3$, F(000) = 744, and Z = 4. The structure was solved by the direct method and refined by the least-squares method. The final R values was 0.037 for 2295 independent reflections. Overall conformation of the molecule is folded with respect to central surfur atom. Comparing with the molecular conformation of bithional, one of phenyl rings was swinged with about $180^{\circ}.$ This conformational change in the molecule results in the existance of intramolecular-hydrogen bond of S-O(3)---H-O(1) type and its steric hindrance between this moiety and the other phenyl ring. The two best planes of the phenyl rings have a maximum deviation of 0.009 $\AA$ for C(1) atom. The dihedral angle between two phenyl rings is $99.22^{\circ}.$ In the crystal structure, the molecules are packed with intermolecular-hydrogen bond of O(3)---H-O(2).

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Analysis of Hydraulic Characteristics According to Operation of Movable Weir (가동보 운영에 따른 수리학적 특성 분석)

  • Seo, Il Won;Park, Sung Won;Kim, Tae-Won
    • 한국방재학회:학술대회논문집
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    • 2011.02a
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    • pp.101-101
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    • 2011
  • 현재 국내에서 시행되고 있는 '4대강 살리기 사업'은 하천에서 발생하는 홍수 및 가뭄재해방지를 위한 다양한 공학적 노력을 시도하고 있다. 특히 안정적인 수위 및 유량확보와 홍수방지를 위한 보(weir)가 4대강 유역에 16개 설치되고 있다. 이러한 보 구간에는 고정보와 가동보가 복합적으로 설치되고 있으며 가동보는 그 형상과 운영방식에 따라 다양한 설계방안이 적용되었다. '4대강 살리기 사업' 중 낙동강 23공구의 강정보 공사 구간에는 원호형태의 측면 형상을 갖는 라이징 섹터게이트(Rising sector gate)가 적용되었다. 라이징 섹터게이트는 구조물의 높이가 낮고 수문의 개폐장치가 수문피어 구조물 내에 설치되어 경관이 우수하며, 구조가 간단하여 비체와 수류의 안정성이 뛰어나기 때문에 4개의 공사구간에 적용되었다. 따라서 본 연구에서는 강정보의 가동보 구간 2문 중 1문을 1/100 축척으로 제작하여 가변경사 개수로에 설치하고, 홍수 빈도별 상류 유량 조건과 하류단 수위조건으로 케이스를 정하여 실험을 수행하였다. 본 실험에서 사용한 개수로 장치는 너비 0.6 m, 높이 0.8 m, 그리고 길이 15.0 m(측정가능 구간, 헤드탱크와 테일게이트 부제외)의 개수로 실험장치이다. 측부는 모두 강화유리로 되어 육안관찰 및 계측 시 용이하게 제작되었으며, 순환식 유량 공급장치를 구축하여 수로의 하부에 설치된 유량탱크로부터 계속적으로 순환하도록 설계되었다. 또한 수로 하단으로부터 상단방향으로 약 33 m 지점에 전동 유압식 Jack screw 2기가 설치되어 경사도를 조절할 수 있도록 제작되었다. 유량조절용 판넬의 제어기판에는 디지털 경사계가 설치되어 있기 때문에 보다 정확한 경사도의 조절이 가능하다. 보 모형의 총연장은 53 cm이며 폭은 45 cm이다. 섹터게이트의 게이트부분은 직경 15 cm로 설계하였다. 문주부분을 포함한 모든 모형은 아크릴로 제작하며 레이저의 주사를 방해하지 않으며 투과율을 최대로 할 수 있도록 고강도의 아크릴을 가장 얇게 하여 중공형태를 채택하였다. 실험조건은 우선 보의 운영방안에 따라 게이트의 4가지 개방도를 설정하였고, 특히 평수위조건에서는 보의 상류부에 퇴적된 퇴적물의 세척을 위한 flushing 운영개방도 포함되어 있다. 홍수시에 대한 유량조건은 2년 빈도에 해당하는 유량을 수문의 비율과 상사법칙에 따라 설정하였으며 하류단 수위조건도 동일한 조건에 대한 값을 채택하여 적용하였다. 유동장의 해석을 위해서는 비접촉식 계측방법인 PIV(Particle Image Velocimetry) 시스템을 채택하여 2차원(x-z 방향) laser sheet를 생성하고 주입된 particle에서 반사된 변위(displacement) 정보를 상호상관(cross-correlation)기법으로 유동장을 계산하였다. 또한 수리모형과 동일한 지형격자를 구축하여 3차원 CFD 프로그램인 FLOW-3D로 계산하여 결과를 비교하였다. 특히 flushing 운영방안에 대한 게이트부의 개방도를 세가지(30, 45, $60^{\circ}$)로 구분하여 모의하였고, 적절한 개방도를 제안하고자 하였다. 실험결과는 우선 4가지 운영방안에 대한 가동보 주변에서의 유속장을 파악하였고, 최대유속의 발생위치의 변화를 확인할 수 있었다. 그리고 이에 따른 보의 바닥에서 최대유속이 발생할 경우, 하상보호공 위치와 거리 등에 대해서 분석하였다. 이를 통해 가동보 운영에 따른 다양한 유속구조를 파악할 수 있게 되며 구조적 안정성 확보를 위한 검증자료로 활용될 수 있을 것으로 예상된다. 향후, 가동보 운영방안 중 수세효과(flushing effect)에 대한 효과분석을 위해 게이트부 상류구간에 적절한 입경과 비중의 퇴적물질을 설치하는 연구와 상류부에서의 유입유사농도 및 시간변화에 따른 퇴적에 관한 연구를 수행할 계획이다.

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Dielectric and Field-induced Strain Behaviors due to Excess PbO in Lead Yttrium Zirconate Stannate Titanate Ceramics (과잉 PbO에 의한 (Pb,Y) $(Zr,Sn,Ti)O_3$세라믹스의 유전 및 전기장유기변형 특성)

  • Yun, Gi-Hyeon;Kim, Jeong-Hui;Gang, Dong-Heon
    • Korean Journal of Materials Research
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    • v.10 no.1
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    • pp.34-40
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    • 2000
  • The $Pb_{0.94}Y_{0.04}[(Zr_{0.6}Sn_{0.4})_{0.915}Ti_{0.085}]O_3$ ceramics which corresponded to the antiferroelectric-ferroelectric phase boundary composition were prepared for digital-type-piezoelectric/electrostrictive device application. Their dielectric, field-induced polarization (P) and strain (X) behaviors were studied with variations in sintering condition and excess PbO content. The orthorhombic structure of specimens was hardly affected either by excess PbO addition or sintering temperature. With increasing excess PbO content, grains tended to be smaller and rounded ones, and the optimum sintering temperature was lowered. Excess PbO addition stabilized the antiferroelectric phase of the specimen effectively, which was confirmed by P-E and X-E analyses. Also the digital-type-strain character was found to be enhanced despite of slight increase in phase transition (AFE-FE) field and electrical resistivity, and decrease in maximum strain. These results were explained in terms of possible lattice defects and domain wall motion.

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Crystallographic and Magnetic Properties of a Perovskite La1/3Sr2/3FeO2.96 (페롭스카이트 La1/3Sr2/3FeO2.96의 결정학적 및 자기적 성질에 관한 연구)

  • Yoon, Sung-Hyun
    • Journal of the Korean Magnetics Society
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    • v.15 no.3
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    • pp.167-171
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    • 2005
  • Detailed aspects of the charge disproportionation (CD) transition for a polycrystalline $La_{1/3}Sr_{2/3}FeO_{2.96}$ were studied with the X-ray diffraction, $M\ddot{o}ssbauer$ spectroscopy, and SQUID magnetometer. The crystal structure was found to be rhombohedral with a space group R/3c. The lattice parameters were $a_R=5.4874\;\AA,\;and\;a_R=60.07^{\circ}$, respectively. $M\ddot{o}ssbauer$ spectra were taken within a wide range of temperature from 4.2 K up to room temperature. In the low temperature region, the spectra were comprised of two superimposed sextets which originated from $Fe^{3+}\;and\;Fe^{5+}$, respectively. This was the antiferromagnetic mixed valence state produced by the charges disproportionated into two different species. In the high temperature region, however, only a singlet from $Fe^{3.6+}$ was observed, indicating that it was a paramagnetic averaged valence state. The CD transition occurred in the temperature range from 175 K to 200 K, in which the two phases coexisted. The origin for the CD transition was explained by the thermally generated fast hopping of electrons. Hysteresis loop showed that there existed a strong antiferromagnetic interaction among magnetic ions. As the temperature increased thru the CD transition temperature, it was very likely that the interaction between $Fe^{3+}\;and\;Fe^{5+}$ was replaced by a more stronger one.

Magnetism of Fe Monolayers on Nonmagnetic fcc Transition Metal (Cu, Rh, Pd, and Ag) (001) Surfaces (면심입방 금속(Cu, Rh, Pd, Ag) (001) 표면 위의 철 단층의 자성)

  • Yun, Won-Seok;Cha, Gi-Beom;Rho, Tae-Hwan;Han, Dong-Ho;Hong, Soon-Cheol
    • Journal of the Korean Magnetics Society
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    • v.19 no.5
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    • pp.165-170
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    • 2009
  • It is well-known that a meta-stable fcc bulk Fe has an antiferromagnetic (AFM) ground state and could be synthesized by growing Fe on a proper fcc metal substrate. In this study magnetism of Fe monolayers on nonmagnetic fcc transition metal (Cu, Rh, Pd, and Ag) (001) surfaces has been investigated using the all-electron full-potential linearized augmented plane wave method. The Fe monolayers on Rh(001) and Pd(001) surfaces were calculated to be stabilized in an AFM state, whereas the Fe monlayers on Cu(001) and Ag(001) surfaces are stabilized in a ferromagnetic (FM) state. Noting that Cu and Ag have the smallest and largest lattice constants and the fcc bulk Fe with a larger lattice constant is getting stabilized in a ferromagnetic state, it is unexpectable and interesting. The calculated magnetic moments of the Fe atoms on Cu, Rh, Pd, and Ag(001) surfaces are 2.811, 2.945, 2.987, and 2.990 $_{{\mu}B}$ in FM states and 2.624, 2.879, 2.922, and 3.001 $_{{\mu}B}$ in AFM states.

Simulation of eccentricity effects on short- and long-normal logging measurements using a Fourier-hp-finite-element method (Self-adaptive hp 유한요소법을 이용한 단.장노말 전기검층에서 손데의 편향 효과 수치모델링)

  • Nam, Myung-Jin;Pardo, David;Torres-Verdin, Carlos;Hwang, Se-Ho;Park, Kwon-Gyu;Lee, Chang-Hyun
    • Geophysics and Geophysical Exploration
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    • v.13 no.1
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    • pp.118-127
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    • 2010
  • Resistivity logging instruments are designed to measure the electrical resistivity of a formation, and this can be directly interpreted to provide a water-saturation profile. However, resistivity logs are sensitive to borehole and shoulder-bed effects, which often result in misinterpretation of the results. These effects are emphasised more in the presence of tool eccentricity. For precise interpretation of short- and long-normal logging measurements in the presence of tool eccentricity, we simulate and analyse eccentricity effects by combining the use of a Fourier series expansion in a new system of coordinates with a 2D goal-oriented high-order self-adaptive hp finite-element refinement strategy, where h denotes the element size and p the polynomial order of approximation within each element. The algorithm automatically performs local mesh refinement to construct an optimal grid for the problem under consideration. In addition, the proper combination of h and p refinements produces highly accurate simulations even in the presence of high electrical resistivity contrasts. Numerical results demonstrate that our algorithm provides highly accurate and reliable simulation results. Eccentricity effects are more noticeable when the borehole is large or resistive, or when the formation is highly conductive.

Simulation of land use changes in Hanam city using an object-based cellular automata model (객체기반 셀룰러오토마타 모형을 이용한 하남시 토지이용변화 모의)

  • KIM, Il-Kwon;KWON, Hyuk-Soo
    • Journal of the Korean Association of Geographic Information Studies
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    • v.21 no.4
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    • pp.202-217
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    • 2018
  • Urban land use changes by human activities affect spatial configuration of urban areas and their surrounding ecosystems. Although it is necessary to identify patterns of urban land use changes and to simulate future changes for sustainable urban management, simulation of land use changes is still challenging due to their uncertainty and complexity. Cellular automata model is widely used to simulate urban land use changes based on cell-based approaches. However, cell-based models can not reflect features of actual land use changes and tend to simulate fragmented patterns. To solve these problems, object-based cellular automata models are developed, which simulate land use changes by land patches. This study simulate future land use changes in Hanam city using an object-based cellular automata model. Figure of merit of the model is 24.1%, which assess accuracy of the simulation results. When a baseline scenario was applied, urban decreased by 16.4% while agriculture land increased by 9.0% and grass increased by 19.3% in a simulation result of 2038 years. In an urban development scenario, urban increased by 22.4% and agriculture land decreased by 26.1% while forest and grass did not have significant changes. In a natural conservation scenario, urban decreased by 29.5% and agriculture land decreased by 8.8% while each forest and grass increased by 6% and 42.8%. The model can be useful to simulate realistic urban land use change effectively, and then, applied as a decision support tool for spatial planning.

Simulation of Cracking Behavior Induced by Drying Shrinkage in Fiber Reinforced Concrete Using Irregular Lattice Model (무작위 격자 모델을 이용한 파이버 보강 콘크리트의 건조수축 균열 거동 해석)

  • Kim, Kunhwi;Park, Jong Min;Bolander, John E.;Lim, Yun Mook
    • KSCE Journal of Civil and Environmental Engineering Research
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    • v.30 no.4A
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    • pp.353-359
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    • 2010
  • Cementitious matrix based composites are vulnerable to the drying shrinkage crack during the curing process. In this study, the drying shrinkage induced fracture behavior of the fiber reinforced concrete is simulated and the effects of the fiber reinforcement conditions on the fracture characteristics are analysed. The numerical model is composed of conduit elements and rigid-body-spring elements on the identical irregular lattice topology, where the drying shrinkage is presented by the coupling of nonmechanical-mechanical behaviors handled by those respective element types. Semi-discrete fiber elements are applied within the rigid-body-spring network to model the fiber reinforcement. The shrinkage parameters are calibrated through the KS F 2424 free drying shrinkage test simulation and comparison of the time-shrinkage strain curves. Next, the KS F 2595 restrained drying shrinkage test is simulated for various fiber volume fractions and the numerical model is verified by comparison of the crack initiating time with the previous experimental results. In addition, the drying shrinkage cracking phenomenon is analysed with change in the length and the surface shape of the fibers, the measurement of the maximum crack width in the numerical experiment indicates the judgement of the crack controlling effect.

An FSI Simulation of the Metal Panel Deflection in a Shock Tube Using Illinois Rocstar Simulation Suite (일리노이 록스타 해석환경을 활용한 충격파관 내 금속패널 변형의 유체·구조 연성 해석)

  • Shin, Jung Hun;Sa, Jeong Hwan;Kim, Han Gi;Cho, Keum Won
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.41 no.5
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    • pp.361-366
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    • 2017
  • As the recent development of computing architecture and application software technology, real world simulation, which is the ultimate destination of computer simulation, is emerging as a practical issue in several research sectors. In this paper, metal plate motion in a square shock tube for small time interval was calculated using a supercomputing-based fluid-structure-combustion multi-physics simulation tool called Illinois Rocstar, developed in a US national R amp; D program at the University of Illinois. Afterwards, the simulation results were compared with those from experiments. The coupled solvers for unsteady compressible fluid dynamics and for structural analysis were based on the finite volume structured grid system and the large deformation linear elastic model, respectively. In addition, a strong correlation between calculation and experiment was shown, probably because of the predictor-corrector time-integration scheme framework. In the future, additional validation studies and code improvements for higher accuracy will be conducted to obtain a reliable open-source software research tool.

Preparations of PZT Ceramic by Solution Combustion Synthesis (용액연소합성방법에 의한 PZT세라믹의 제조)

  • 이상진;윤존도;권혁보;전병세
    • Journal of the Korean Ceramic Society
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    • v.39 no.1
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    • pp.74-78
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    • 2002
  • In this study, the solution combustion method was employed to synthesize perovskite PZT ceramics. Multicomponent oxides can be prepared by the solution combustion synthesis using redox exothermic reaction of precursor solutions. The results of DTA/TG showed exothermic peaks in 214$^{\circ}C$ and 350$^{\circ}C$. Those were caused by the differences of the thermal decomposition behavior of oxidizer and fuel. The combustion reaction was completed at 370$^{\circ}C$ during heating procedure, but the product was not transformed into perovskite. The thermal decomposition behavior of both oxidizer and fuel were considered during solution combustion process at 600$^{\circ}C$, which showed tetragonal single phase PZT ceramics with 50 nm crystalline size. The lattice constant a was 3.997 ${\pm}$ 0.001 ${\AA}$ and the lattice constant c was 4.147${\pm}$0.001 ${\AA}$.