• Title/Summary/Keyword: computational calculation

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Experimental and ab initio Computational Studies on Dimethyl-(4-{4-{3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-hydrazonomethyl}-phenyl)-amine

  • Yuksektepe, Cigdem;Saracoglu, Hanife;Caliskan, Nezihe;Yilmaz, Ibrahim;Cukurovali, Alaaddin
    • Bulletin of the Korean Chemical Society
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    • v.31 no.12
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    • pp.3553-3560
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    • 2010
  • A new hydrazone derivative compound has been synthesized and characterized by IR, $^1H$-NMR, $^{13}C$-NMR and UV-vis. spectroscopy techniques, elemental analysis and single-crystal X-ray diffraction (XRD). The new compound crystallizes in monoclinic space group C2/c. In addition to the crystal structure from X-ray experiment, the molecular geometry, vibrational frequencies and frontier molecular orbitals analysis of the title compound in the ground state have been calculated by using the HF/6-31G(d, p), B3LYP/6-311G(d, p) and B3LYP/6-31G(d, p) methods. The computed vibrational frequencies are used to determine the types of molecular motions associated with each of the observed experimental bands. To determine conformational flexibility, molecular energy profile of (1) was obtained by semi-empirical (AM1) calculation with respect to a selected degree of torsional freedom, which was varied from $-180^{\circ}$ to $+180^{\circ}$ in steps of $10^{\circ}$. Molecular electrostatic potential of the compound was also performed by the theoretical method.

전진익 소형기의 전산유동해석

  • Choi, Seong-Wook;Kim, Eung-Tai
    • Aerospace Engineering and Technology
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    • v.1 no.2
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    • pp.1-10
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    • 2002
  • Flow computations around forward sweep wing small aircraft have been conducted in this study. The main-wing of the forward-wing small aircraft is composed of two planforms: the inboard wing section with backward sweep angle which is known as strake and the outboard wing section with forward sweep angle. The geometrical discontinuity or kink generated by the combination of these two different planforms requires detailed flow analysis around wing. Four different solvers were used to calculate aerodynamic data and the accuracy of each method is examined. For the convenience of grid generation over the aircraft geometry, the overset grid method was applied. Through this calculation, the basic aerodynamic data of the forward-wing aircraft were provided and the aerodynamic characteristics of the wing is expounded.

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Numerical Analysis on the Turbulent Flow of Compressor Cascades at High Incidence Angle

  • Jeong, Soo-in;Jeong, Gi-ho;Kim, Kui-soon
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2004.03a
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    • pp.825-830
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    • 2004
  • A numerical analysis based on two-dimensional and three-dimensional incompressible Navier-Stokes equations has been carried out for double-circular-arc (DCA) compressor cascades. Two types of double-circular-arc cascades were used in this analysis. The appropriate turbulence model for compressor analysis was selected among the conventional turbulence models such as Baldwin-Lomax, k-$\varepsilon$ and k-$\varepsilon$ models. The results of current study were compared with available experimental data at various incidence angles. The 2-D and 3-D computational codes based on SIMPLE/PWIM algorithm for collocated grid and hybrid scheme for the convective terms were the main features of numerical tools. As commonly known, turbulence modeling is very important for the prediction of cascade flows, which are extremely complex with separation and reattachment by adverse pressure gradient. For selection of turbulence model, 2-D analysis was performed. And then, k-$\varepsilon$ turbulence model with wall function chosen as the reasonable turbulence model for 3-D calculation was used to increase the efficiency of computation times. A reasonable result of 3-D flow pattern passing through the double-circular-arc cascade was obtained.

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Numerical Simulation of Shock-Induced Combustion on Adaptive Mesh (적응격자를 이용한 충격파 유도 연소장 해석)

  • Kim, Sang-Hoon;Choi, Jeong-Yeol;Oh, Se-Jomg
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2010.05a
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    • pp.397-400
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    • 2010
  • Unstructured adaptive grid flow simulation is applied to the calculation of high speed compressible flow of inert and reactive gas mixtures. Computational results are presented for the case of premixed hydrogen-air supersonic flow over a 2-D wedge. In such a configuration, combustion may be triggered behind the oblique shock wave and transition to an oblique detonation wave is eventually obtained. It is shown that the solution adaptive procedure implemented is able to correctly define the important wave front.

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Using integrated displacement method to time-history analysis of steel frames with nonlinear flexible connections

  • Hadianfard, M.A.
    • Structural Engineering and Mechanics
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    • v.41 no.5
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    • pp.675-689
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    • 2012
  • Most connections of steel structures exhibit flexible behaviour under cyclic loading. The flexible connections can be assumed as nonlinear rotational springs attached to the ends of each beam. The nonlinear behaviour of the connections can be considered by suitable moment-rotation relationship. Time-history analysis by direct integration method can be used as a powerful technique to determine the nonlinear dynamic response of the structure. In conventional numerical integration, the response is evaluated for a series of short time increments. The limitations on the size of time intervals can be removed by using Chen and Robinson improved time history analysis method, in which the integrated displacements are used as the new variables in integrated equation of motion. The proposed method permits longer time intervals and reduces the computational works. In this paper the nonlinearity behaviour of the structure is summarized on the connections, and the step by step improved time-history analysis is used to calculate the dynamic response of the structure. Several numerical calculations which indicate the applicability and advantages of the proposed methodology are presented. These calculations illustrate the importance of the effect of the nonlinear behaviour of the flexible connections in the calculation of the dynamic response of steel frames.

ANALYSES OF FLUID FLOW AND HEAT TRANSFER INSIDE CALANDRIA VESSEL OF CANDU-6 REACTOR USING CFD

  • YU SEON-OH;KIM MANWOONG;KIM HHO-JUNG
    • Nuclear Engineering and Technology
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    • v.37 no.6
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    • pp.575-586
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    • 2005
  • In a CANDU (CANada Deuterium Uranium) reactor, fuel channel integrity depends on the coolability of the moderator as an ultimate heat sink under transient conditions such as a loss of coolant accident (LOCA) with coincident loss of emergency core cooling (LOECC), as well as normal operating conditions. This study presents assessments of moderator thermal-hydraulic characteristics in the normal operating conditions and one transient condition for CANDU-6 reactors, using a general purpose three-dimensional computational fluid dynamics code. First, an optimized calculation scheme is obtained by many-sided comparisons of the predicted results with the related experimental data, and by evaluating the fluid flow and temperature distributions. Then, using the optimized scheme, analyses of real CANDU-6 in normal operating conditions and the transition condition have been performed. The present model successfully predicted the experimental results and also reasonably assessed the thermal-hydraulic characteristics of a real CANDU-6 with 380 fuel channels. A flow regime map with major parameters representing the flow pattern inside a calandria vessel has also proposed to be used as operational and/or regulatory guidelines.

Proposal of Unit Building Method for Calculating Unit Heating Load of Apartment Houses (공동주택 단위난방부하 계산을 위한 단위동법 제안)

  • Yoo Ho-Seon;Chung Joo-Hyuk;Moon Jung -Hwan;Lee Jae-Heon
    • Korean Journal of Air-Conditioning and Refrigeration Engineering
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    • v.19 no.1
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    • pp.68-76
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    • 2007
  • As an alternative approach to evaluate the unit heating load for apartment houses, we newly developed and proposed unit building method. The new method, which calculates the heating load of an apartment building as a whole, conceptually corresponds to integral analysis of building heat loss, while the existing unit apartment method to differential analysis. Four typical building models of Korean-style apartment house and two dynamic load calculation programs were selected to validate the present method under realistically imposed conditions. Eight sets of unit heating load calculated respectively by unit building and unit apartment methods showed excellent agreements regardless of building model and simulation program. It is expected that the unit building method can take the place of the unit apartment method due to fewer modeling assumptions as well as less computational efforts. Additional calculations to investigate the effects of various parameters on unit heating load yield good consistencies with known facts, and re-confirm the validity.

Twisted rudder for reducing fuel-oil consumption

  • Kim, Jung-Hun;Choi, Jung-Eun;Choi, Bong-Jun;Chung, Seok-Ho
    • International Journal of Naval Architecture and Ocean Engineering
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    • v.6 no.3
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    • pp.715-722
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    • 2014
  • Three twisted rudders fit for large container ships have been developed; 1) the Z-twisted rudder that is an asymmetry type taking into consideration incoming flow angles of the propeller slipstream, 2) the ZB-twisted rudder with a rudder bulb added onto the Z-twisted rudder, and 3) the ZB-F twisted rudder with a rudder fin attached to the ZB-twisted rudder. The twisted rudders have been designed computationally with the hydrodynamic characteristics in a self-propulsion condition in mind. The governing equation is the Navier-Stokes equations in an unsteady turbulent flow. The turbulence model applied is the Reynolds stress. The calculation was carried out in towing and self-propulsion conditions. The sliding mesh technique was employed to simulate the flow around the propeller. The speed performances of the ship with the twisted rudders were verified through model tests in a towing tank. The twisted versions showed greater performance driven by increased hull efficiency from less thrust deduction fraction and more effective wake fraction and decreased propeller rotating speed.

A Fast Screening Algorithm for On-Line Transient Stability Assessment (온라인 과도안정도 판정을 위한 상정사고 고속 스크리닝 알고리즘 개발)

  • Lee, Jong-Seock;Yang, Jung-Dae;Lee, Byong-Jun;Kwon, Sae-Hyuk;Nam, Hae-Kon;Choo, Jin-Boo;Lee, Koung-Guk;Yun, Sang-Hyun;Park, Byung-Cheol
    • The Transactions of the Korean Institute of Electrical Engineers A
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    • v.50 no.5
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    • pp.225-233
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    • 2001
  • SIME(SIngle Machine Equivalent) method has been recognized as a useful tool to determine transient stability of power systems. In this paper, SIME method is used to develop the KEPCO transient stability assessment (TSA) tool. A new screening algorithm that can be implemented in SIME method is proposed. The salient feature of the proposed screening algorithm is as follows. First, critical generators are identified by a new index in the early stage of the time domain simulation. Thus, computational time required to find OMIB(One Machine Infinite Bus) can be reduced significantly. Second, clustering critical machines can be performed even in very stable cases. It enables to be avoid extra calculation of time trajectory that is needed in SIME for classifying the stable cases. Finally, using power-angle trajectory and subdividing contingency classification have improved the screening capability. This algorithm is applied to the fast TSA of the KEPCO system.

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A Contingency Screening Algorithm Using SIME for Transient Stability Assessment of the KEPCO System

  • Lee, J.;Lee, B.;Kwon, S.H.;Nam, H.K.;Ahn, T.;Choo, J.B.;Yi, K.
    • Journal of KIEE
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    • v.11 no.1
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    • pp.55-61
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    • 2001
  • SIME(Single Machine Equivalent) method has been recognized as a useful tool to determine transient stability of power system. In this paper, SIME method is used to develop the KEPCO transient stability assessment (TSA) tool. A new screening algorithm that can be generators are identified by a new index in the early stage of the time domain simulation. Thus, computational time require to find OMIB(One Machine Infinite Bus) can be reduced significantly. Second, clustering critical machines can be performed even in very stable cases. It enables to be avoid extra calculation of time trajectory that is needed in SIME for classifying the stable cases. This algorithm is applied to the fast TSA of the KEPCO system in the year of 2010.

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