• Title/Summary/Keyword: free-surface boundary condition

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Solution Dynamics Studies for the Lck SH2 Domain Complexed with Peptide and Peptide-Free Forms

  • Yoon, Jeong-Hyeok;Chi, Myung-Whan;Yoon, Chang-No;Park, Jongsei
    • Proceedings of the Korean Society of Applied Pharmacology
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    • 1995.04a
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    • pp.81-81
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    • 1995
  • It is well known that Src Homology 2(SH2) domain in many intracellular signal transduction proteins is very important. The domain has about 100 amino acid residues and bind phosphotyrosine-containing peptide with high affinity and specificity. Lck SH2 domain is a Src-like, lymphocyte-specific tyrosine kinase. An 11-residue phosphopeptide derived from the hamster polvoma middle-T antigen, EPQp YEEIPIYL, binds with an 1 nM dissociation constant to Lck SH2 domain. And it is known that the phosphotyrosine and isoleucine residues of the peptide are tightly bound by two well-defined pockets on Lck SH2 domain's surface. To investigate the conformational changes during complexation of SH2 domain with phosphopeptide we have performed the molecular dynamics simulation for Lck SH2 domain with peptide and peptide-free form at look in aqueous solution. More than 3000 water molecules were incorporated to solvate Lck SH2 domain and peptide. Periodic boundary condition has been applied in molecular dynamics simulation. Data analysis with the results of that simulation shows that the phosphopeptide makes primary interaction with the Lck SH2 domain at six central residues, The comparison of the complexed and uncomplexed SH2 domain structures in solution has revealed only relatively small change. But the hydrophilic and hydrophobic pockets in the protein surface show the conformational changes in spite of the small structural difference between the complex and peptide-free forms.

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An Analysis of Excitation Forces on the Ship Hull Induced by the Propller (프로펠러에 의해 유기된 선체표면 기진력 해석)

  • C.S. Lee;J.T. Lee;J.C. Suh;Y.G. Kim
    • Journal of the Society of Naval Architects of Korea
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    • v.29 no.1
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    • pp.81-92
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    • 1992
  • This paper deals with the procedure for developing a computer program which can predict the pressure fluctuation on the ship hull by solving the boundary value problem on the hull subject to the influence of the unsteady propeller and cavity motions. The program is applied to the solution of flow around a sphere under the influence of point sources simulating the propeller cavity, and then is compared with the analytic solution based on Butler's sphere theorem. The effect of free surface condition, either pressure-free or rigid-wall, upon the pressure distribution is studied. The computer code is also applied to a RO-RO ship, leading to the conclusion that the package may be useful for the analysis of excitation forces on the ship hull induced by the propeller in the design process.

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A New Development in the Theory of Slender Ships (세장선 이론의 새로운 전개)

  • 김인철
    • Journal of the Korean Society of Fisheries and Ocean Technology
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    • v.27 no.1
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    • pp.83-90
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    • 1991
  • The method, which is introduced here, is an approximation derived by an application of the slender body theory, which has achieved a great success in the field of aeronautical engineering. However numerical results for wave resistance by this theory have been very disappointing. A slender body formulation for a ship in uniform forward motion si presented. It is based on the asymptotic expansion of the Kelvin source and the result is quite different from the existing slender ship theory developed by Vossers, Tuck and Maruo. It is equivalent to an approximation for the kernel function of the Neumann-Kelvin problem which assumes the linearized free surface condition but deals with the body boundary condition in its exact from. The velocity field and pressure distribution can be calculated simply by the differentiation of the two-dimensional velocity potential. A formula for the wave resistance of slender ships is also presented.

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Effect of Sn Addition on the SCC Properties of Al-Cu-Mn Cast Alloy (Al-Cu-Mn 주조합금의 SCC 특성에 미치는 Sn 첨가의 영향)

  • Kim, Kwang-Nyeon;Kim, Kyung-Hyun;Kim, In-Bae
    • Korean Journal of Materials Research
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    • v.12 no.6
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    • pp.436-441
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    • 2002
  • Effect of Sn addition on the stress corrosion cracking(SCC) resistance of the Al-Cu-Mn cast alley was investigated by C-ring teat and electrical conductivity measurement, The electrical conductivity and SCC resistance increased by Sn addition. The alley containing 0,10%Sn showed maximum electrical conductivity and the best SCC resistance. At the same composition, the electrical conductivity and SCC resistance increased from peak aged condition to ever aged condition. The PFZ and coarse precipitates along the grain boundary were observed from TEM micrographs. The fracture mode of the alloy was confirmed as intergranular type and showed brittle fracture surface. The SCC mechanism of the alloy was concluded as the anodic dissolution model, The maximum hardness was increased from 130Hv in the Sn-free alloy to 156Hv in the 0.10%Sn added alloy.

Hybrid finite element model for wave transformation analysis (파랑 변형 해석을 위한 복합 유한요소 모형)

  • Jung Tae Hwa;Park Woo Sun;Suh Kyung Duck
    • Proceedings of the KSME Conference
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    • 2002.08a
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    • pp.209-212
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    • 2002
  • Since Berkhoff proposed the mild-slope equation in 1972, it has widely been used for calculation of shallow water wave transformation. Recently, it was extended to give an extended mild-slope equation, which includes the bottom slope squared term and bottom curvature term so as to be capable of modeling wave transformation on rapidly varying topography. These equations were derived by integrating the Laplace equation vertically. In the present study, we develop a finite element model to solve the Laplace equation directly while keeping the same computational efficiency as the mild-slope equation. This model assumes the vertical variation of wave potential as a cosine hyperbolic function as done in the derivation of the mild-slope equation, and the Galerkin method is used to discretize . The computational domain was discretized with proper finite elements, while the radiation condition at infinity was treated by introducing the concept of an infinite element. The upper boundary condition can be either free surface or a solid structure. The applicability of the developed model was verified through example analyses of two-dimensional wave reflection and transmission. .

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Sensitivity Analysis of Effective Viscosity Coefficients for Computing Characteristics of Ultrathin Gas Film Bearings (초미세 틈새의 기체 베어링 해석용 유효 점도의 표현식과 관련 계수들의 민감도 해석)

  • Kim, Ui Han;Rhim, Yoon Chul
    • Tribology and Lubricants
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    • v.30 no.1
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    • pp.15-20
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    • 2014
  • A more accurate expression for effective viscosity is obtained using a linear regression of the data from Fukui-Kaneko's model, which are obtained through numerical calculations based on the linearized Boltzmann equation. Veijola and Turowski's expression is adopted as a base function for effective viscosity. The four coefficients in that equation are optimized, and sensitivity analysis is conducted for these coefficients. The results show that the coefficient for the first-order Knudsen number is the most accurate, whereas the coefficient in the exponential of the Knudsen number is the least accurate compared with Fukui-Kaneko's results. The expression for effective viscosity is accurate within 0.02% rms of Fukui-Kaneko's results for the inverse Knudsen numbers from 0.01 to 100 and surface accommodation coefficients ranging from 0.7 to 1.

Thermo-elastic analysis of rotating functionally graded micro-discs incorporating surface and nonlocal effects

  • Ebrahimi, Farzad;Heidar, Ebrahim
    • Advances in aircraft and spacecraft science
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    • v.5 no.3
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    • pp.295-318
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    • 2018
  • This research studies thermo-elastic behavior of rotating micro discs that are employed in various micro devices such as micro gas turbines. It is assumed that material is functionally graded with a variable profile thickness, density, shear modulus and thermal expansion in terms of radius of micro disc and as a power law function. Boundary condition is considered fixed-free with uniform thermal loading and elastic field is symmetric. Using incompressible material's constitutive equation, we extract governing differential equation of four orders; to solution this equation, we utilize general differential quadrature (GDQ) method and the results are schematically pictured. The obtained result in a particular case is compared with another work and coincidence of results is shown. We will find out that surface effect tends to split micro disc's area to compressive and tensile while nonlocal parameter tries to converge different behaviors with each other; this convergence feature make FGIMs capable to resist in high temperature and so in terms of thermo-elastic behavior we can suggest, using FGIMs in micro devices such as micro turbines (under glass transition temperature).

Construction of a System for the Generation and Analysis of Design Waves using the Genetic Algorithms (유전자 알고리즘을 이용한 설계파 생성 및 해석 시스템 구축)

  • Jeong, Seong-Jae;Shin, Jong-Keun;Choi, Jin
    • Journal of the Society of Naval Architects of Korea
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    • v.43 no.1 s.145
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    • pp.96-102
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    • 2006
  • In this study, an optimization routine with genetic algorithms is coupled for the selection of free variables for the production of a control signal for the motion of wave board in the numerical wave tank. An excitation function for the controlling of the wave board is formulated on basis of amplitude modulation for the generation of nonlinear wave packets. The found variables by the optimization serve for the determination of wave board motion both with the computation and with the experiment. The breaking criterion of the water waves is implemented as boundary condition for the optimization procedure. With the analysis of the time registration on the local position in the wave tank the optimization routine is accomplished until the given design wave with defined surface elevation is found. Water surface elevation and associated fields of velocity and pressure are numerically computed.

Numerical Study on Multiphase Flows Induced by Wall Adhesion (벽면부착에 의해 야기되는 다상유동에 관한 수치적 연구)

  • Myong, Hyon-Kook
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.36 no.7
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    • pp.721-730
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    • 2012
  • The present paper presents a numerical study on multiphase flows induced by wall adhesion. The continuum surface force (CSF) model with the wall adhesion boundary condition model is used for calculating the surface tension force; this model is implemented in an in-house solution code (PowerCFD). The present method (code) employs an unstructured cell-centered method based on a conservative pressure-based finite-volume method with a volume capturing method (CICSAM) in a volume of fluid (VOF) scheme for phase interface capturing. The effects of wall adhesion are then numerically simulated by using the present method for a shallow pool of water located at the bottom of a cylindrical tank with no external forces such as gravity. Two different cases are computed, one in which the water wets the wall and one in which the water does not wet the wall. It is found that the present method efficiently simulates the surface tension-dominant multiphase flows induced by wall adhesion.

Application of ADE-PML Boundary Condition to SEM using Variational Formulation of Velocity-Stress 3D Wave Equation (속도-응력 변분식을 이용한 3차원 SEM 탄성파 수치 모사에 대한 ADE-PML경계조건의 적용)

  • Cho, Chang-Soo;Son, Min-Kyung
    • Geophysics and Geophysical Exploration
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    • v.15 no.2
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    • pp.57-65
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    • 2012
  • Various numerical methods in simulation of seismic wave propagation have been developed. Recently an innovative numerical method called as the Spectral Element Method (SEM) has been developed and used in wave propagation in 3-D elastic media. The SEM that easily implements the free surface of topography combines the flexibility of a finite element method with the accuracy of a spectral method. It is generally used a weak formulation of the equation of motion which are solved on a mesh of hexahedral elements based on the Gauss-Lobatto-Legendre integration rule. Variational formulations of velocity-stress motion are newly modified in order to implement ADE-PML (Auxiliary Differential Equation of Perfectly Matched Layer) in wave propagation in 3-D elastic media, because a general weak formulation has a difficulty in adapting CFS (Complex Frequency Shifted) PML (Perfectly Matched Layer). SEM of Velocity-Stress motion having ADE-PML that is very efficient in absorbing waves reflected from finite boundary is verified with simulation of 1-D and 3-D wave propagation.