• Title/Summary/Keyword: Computational and experimental methods

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The Detection of Inflection Points on Planar Rational $B\'{e}zier$ Curves (평면 유리 $B\'{e}zier$곡선상의 변곡점 계산법)

  • 김덕수;이형주;장태범
    • Korean Journal of Computational Design and Engineering
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    • v.4 no.4
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    • pp.312-317
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    • 1999
  • An inflection point on a curve is a point where the curvature vanishes. An inflection point is useful for various geometric operations such as the approximation of curves and intersection points between curves or curve approximations. An inflection point on planar Bezier curves can be easily detected using a hodograph and a derivative of hodograph, since the closed from of hodograph is known. In the case of rational Bezier curves, for the detection of inflection point, it is needed to use the first and the second derivatives have higher degree and are more complex than those of non-rational Bezier curvet. This paper presents three methods to detect inflection points of rational Bezier curves. Since the algorithms avoid explicit derivations of the first and the second derivatives of rational Bezier curve to generate polynomial of relatively lower degree, they turn out to be rather efficient. Presented also in this paper is the theoretical analysis of the performances of the algorithms as well as the experimental result.

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m-Phenylene-Linked Bis-(Biradicals). Generation, Characterization and Computational Studies

  • Nicolaides, Athanassios;Tomioka, Hideo
    • Journal of Photoscience
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    • v.10 no.1
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    • pp.165-173
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    • 2003
  • m-Phenylene-linked biscarbenes, bisnitrenes and carbenonitrenes can be formed photochemically from appropriate nitrogenous precursors. Generation of such reactive intermediates under matrix-isolation conditions allows for their characterization by spectroscopic techniques such as ESR, UV /vis and IR. The latter method is also useful in characterizing secondary products derived from these reactive intermediates. Computational chemistry methods complement experimental IR data, aiding, thus, in identification of such compounds. In addition electronic structure calculations help in developing qualitative and semi-quantitative models, which can be useful in predicting ground-state multiplicities. The parent systems of m-phenylene-linked carbenes and nitrenes have high-spin ground states, but a switching to lower multiplicity can be achieved by chemical substitution. The ground state and various low-lying excited states of m-phenylenecarbenonitrenes can be reasonably approximated by simple valence-bond depictions. Finally, m-phenylenecarbenonitrenes are photoreactive in the inert matrix isomerizing to cyclopropene derivatives.

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Atom Number and Bounding Sphere Based Search Speedup Technique for Similar Proteins Screening (원자개수와 경계구에 기반한 유사 단백질 스크리닝을 위한 검색 가속 기법)

  • Lee, Jaeho;Park, JoonYoung
    • Korean Journal of Computational Design and Engineering
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    • v.20 no.4
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    • pp.321-327
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    • 2015
  • In the protein database search, 3D structural shape comparison for protein screening plays a important role. Protein databases have big size and have been grown rapidly. Exhaustive search methods cannot provide a satisfactory performance. As protein is composed of a set of spheres, the similarity calculation of two set of spheres is very expensive. Thus, a reasonable filtering method could be an answer for the speedup of protein screening. In this paper, we suggest a speedup method for protein screening with atom number and bounding sphere. We also show some experimental results for the validity of our method.

Computational Analysis of the Three-Dimensional Flow Fields of Sirocco Fan

  • Hah, Jae-Hong;Moon, Young-J.;Park, Jin-Moo
    • International Journal of Air-Conditioning and Refrigeration
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    • v.9 no.2
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    • pp.44-50
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    • 2001
  • The Sirocco fan performance and its three-dimensional flow characteristics are numerically prediction by STAR-CD. Turbulent flow computations are performed using approximately 500,000 mesh points, and the performance results of tow computational methods, transient and quasi-static flow analyses are compared with experimental data. In the present study, our attention is focused on the three-dimensional flow characteristics of the Sirocco fan blades and the secondary flow structure in the scroll. For a design optimization study, the scroll shape is titled by $10^\circ$ to modify the secondary flow structure, which yields some improvement of the fan performance.

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New Mechanism for the Reaction of Thianthrene Cation Radical Perchlorate with tert-Butyl Peroxide

  • Park, Bo-Kyung;Sohn, Chang-Kook;Lee, Wang-Keun
    • Bulletin of the Korean Chemical Society
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    • v.23 no.1
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    • pp.103-106
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    • 2002
  • A new reaction mechanism is proposed for the reaction of thianthrene cation radical perchlorate $(Th^{+{\cdot}}CIO_4^-}$ and tert-butyl peroxide in acetonitrile at room temperature on the basis of experimental and theoretical results. Rapid C-O bond rupture instead of O-O bond cleavage was observed by a good peroxy radical trapping agent, thianthrene cation radical. Products were N-tert-butyl acetamide, thianthrene 5-oxide (ThO), thianthrene 5,5-dioxide $(SSO_2)$, and thianthrene (Th). Thianthrene 5,10-dioxide (SOSO) was not obtained. A comparative computational study of the cation radical of tert-butyl peroxide is made by using B3LYP and CBS-4. The computational results are helpful to explain the reaction mechanism.

A FUNDAMENTAL STUDY ON THE NUMERICAL SIMULATION OF WAVE BREAKING PHENOMENON AROUND THE FORE-BODY OF SHIP (선수주위 쇄파현상의 수치시뮬레이션에 관한 기초연구)

  • Eom T.J.;Lee Y.-G.;Jeong K.-L.
    • 한국전산유체공학회:학술대회논문집
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    • 2005.10a
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    • pp.195-199
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    • 2005
  • Wave breaking phenomenon near the fore body of a ship is numerically simulated. The ship advance with uniform velocity in calm water. For the simulation, incompressible Navier-Stokes equations and continuity equation are adopted as governing equations. The simulation is carried out in staggered variable mesh system with finite difference method. Marker and Cell(MAC) method and Marker-Density method are employed to track the free surface. Body boundary conditions are satisfied with the adoption of porosity method and no-slip condition on the hull surface. The ship model has a wedge type fore-body, and the computational domain is an appropriate region around the fore-body. The computation results are compared with some experimental results. Also the difference of the free surface tracking methods are discussed.

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A VOLUME OF FLUID METHOD FOR FREE SURFACE FLOWS AROUND SHIP HULLS (선체주위 자유수면 유동 해석을 위한 VOF법 연구)

  • Park, I.R.
    • Journal of computational fluids engineering
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    • v.20 no.1
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    • pp.57-64
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    • 2015
  • This paper describes a volume of fluid(VOF) method, mRHRIC for the simulation of free surface flows around ship hulls and provides its validation against benchmark test cases. The VOF method is developed on the basis of RHRIC method developed by Park et al. that uses high resolution differencing schemes to algebraically preserve both the sharpness of interface and the boundedness of volume fraction. A finite volume method is used to solve the governing equations, while the realizable ${\kappa}-{\varepsilon}$ model is used for turbulence closure. The present numerical results of the resistance performance tests for DTMB5415 and KCS hull forms show a good agreement with available experimental data and those of other free surface methods.

Applications of Fiber Bragg Grating Sensor Technology (FBG 센서 기술의 응용 사례)

  • Kang Dong-Hoon
    • Proceedings of the Computational Structural Engineering Institute Conference
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    • 2006.04a
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    • pp.3-9
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    • 2006
  • Among many fabrication methods of composite materials, filament winding is the most effective method for fabricating axis-symmetric structures such as pressure tanks and pipes. Filament wound pressure tanks are under high internal pressure during the operation and it has the complexity in damage mechanisms and failure modes. Fiber optic sensors, especially FBG sensors can be easily embedded into the composite structures contrary to conventional electric strain gages (ESGs). In addition, many FBG sensors can be multiplexed in single optical fiber using wavelength division multiplexing (WDM) techniques. In this paper, we fabricated several filament wound pressure tanks with embedded FBG sensors and conducted some kinds of experiments such as an impact test, a bending test, and a thermal cycling test. From the experimental results, it was successfully demonstrated that FBG sensors are very appropriate to composite structures fabricated by filament winding process even though they are embedded into composites by multiplexing.

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Experimental Study on Supernodal Column Choleksy Factorization in Interior-Point Methods (내부점방법을 위한 초마디 열촐레스키 분해의 실험적 고찰)

  • 설동렬;정호원;박순달
    • Korean Management Science Review
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    • v.15 no.1
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    • pp.87-95
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    • 1998
  • The computational speed of interior point method depends on the speed of Cholesky factorization. The supernodal column Cholesky factorization is a fast method that performs Cholesky factorization of sparse matrices with exploiting computer's characteristics. Three steps are necessary to perform the supernodal column Cholesky factorization : symbolic factorization, creation of the elimination tree, ordering by a post-order of the elimination tree and creation of supernodes. We study performing sequences of these three steps and efficient implementation of them.

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Coupling of Meshfree Method and Finite Element Method for Dynamic Crack Propagation Analysis (무요소법과 유한요소법의 결합에 의한 동적균열전팍문제의 해석)

  • 이상호;김효진
    • Proceedings of the Computational Structural Engineering Institute Conference
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    • 2000.04b
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    • pp.324-331
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    • 2000
  • In this study, a new algorithm analyzing dynamic crack propagation problem by the coupling technique of Meshfree Method and Finite Element Method is proposed. The coupling procedure of two methods is presented with a short description of Meshfree Method especially, Element-free Galerkin (EFG) method. The elastodynamic fracture theory is presented, and a numerical implementation procedure for dynamic fracture analysis by Meshfree Method is also discussed. A couple of dynamic crack propagation problems illustrate the performance of the propsed technique. The accuracy of numerical solutions by the developed algorithm are compared with those of analytical solutions and experimental ones.

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