• Title/Summary/Keyword: free-energy model

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Finite element analysis for the flow characteristics along the thickness direction in injection molding (사출성형시 두께방향으로의 유동특성에 관한 유한요소 해석)

  • 이호상;신효철
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.11 no.6
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    • pp.1026-1035
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    • 1987
  • The injection molding process is used in the fabrication of a large variety of plastic articles. A numerical simulation of the filling stage along the thickness direction is proposed by combining the free surface boundary condition with the relevant governing equations. The mathematical model is based on the equations of continuity, momentum and energy along with inelastic power-law model and relevant boundary conditions. Due to the significant implications for microstructure development in the pro duct, the fountain effect at the advancing free surface is explicitly taken into consideration in the simulation. The model yields data on free surface shape as well as velocity, pressure, temperature and shear stress distributions within the mold cavity. The rearrangement of the velocity and temperature profiles in the vicinity of the melt front is considered in detail.

Molecular dynamics simulation of bulk silicon under strain

  • Zhao, H.;Aluru, N.R.
    • Interaction and multiscale mechanics
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    • v.1 no.2
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    • pp.303-315
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    • 2008
  • In this paper, thermodynamical properties of crystalline silicon under strain are calculated using classical molecular dynamics (MD) simulations based on the Tersoff interatomic potential. The Helmholtz free energy of the silicon crystal under strain is calculated by using the ensemble method developed by Frenkel and Ladd (1984). To account for quantum corrections under strain in the classical MD simulations, we propose an approach where the quantum corrections to the internal energy and the Helmholtz free energy are obtained by using the corresponding energy deviation between the classical and quantum harmonic oscillators. We calculate the variation of thermodynamic properties with temperature and strain and compare them with results obtained by using the quasi-harmonic model in the reciprocal space.

Second order VOF convection model in curvilinear coordinates

  • Kim, Seong-O.;Hwang, Young-dong;Kim, Young-In.;Chang, Moon-Hee
    • Proceedings of the Korean Nuclear Society Conference
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    • 1997.05a
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    • pp.392-399
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    • 1997
  • An approximation technique was developed for the simulation of free surface flows in non-orthogonal coordinates. The main idea of this approach is to approximate VOF by the second order linear equation in the transformed domain on the assumption that the continuity of free surface would be maintained. The method was justified through a set of numerical test to examine if its original shape could be maintained when the circles are convected in uniform velocity in horizontal direction in curvilinear coordinates. Finally a simple problem was solved by applying the method to CFX4.1 general purpose CFDS code.

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Numerical Prediction of Ship Hydrodynamic Performances using Explicit Algebraic Reynolds Stress Turbulence Model (선박의 저항성능 추정을 위한 EARSM 난류 모형의 활용)

  • Kim, Yoo-Chul;Kim, Kwang-Soo;Kim, Jin
    • Journal of the Society of Naval Architects of Korea
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    • v.51 no.1
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    • pp.67-77
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    • 2014
  • In this study, Explicit Algebraic Reynolds Stress Model (EARSM) which is based on the existing ${\kappa}-{\omega}$ model has been applied to the flow field analysis around ship hulls. Existing transport equations for the turbulent kinetic energy and the dissipation rate are used in almost the same form and anisotropy terms of Reynolds stresses are newly considered. The well-known KVLCC2 and KCS hull forms are selected as validation cases, which were also used in 2010 Workshop on CFD in Ship Hydrodynamics. In case of KVLCC2 double model, comparison of mean velocity distribution, turbulent kinetic energy, and Reynolds stresses near the propeller plane has been carried out and wave elevation and wave profiles have been additionally studied for KCS and KVLCC2 with free surface models. Some improved results for mean velocity distribution at the propeller plane have been obtained while there is little change in free surface wave profiles.

A Combined Approach for Locating Box H/ACA snoRNAs in the Human Genome

  • Eo, Hae Seok;Jo, Kwang Sun;Lee, Seung Won;Kim, Chang-Bae;Kim, Won
    • Molecules and Cells
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    • v.20 no.1
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    • pp.35-42
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    • 2005
  • A novel combined method for locating box H/ACA small nucleolar RNAs (snoRNAs) is described, together with a software tool. The method adopts both a probabilistic hidden Markov model (HMM) and a minimum free energy (MFE) rule, and filters possible candidate box H/ACA snoRNAs obtained from genomic DNA sequences. With our novel method 12 known box H/ACA snoRNAs, and one strong candidate were identified in 30 nucleolar protein genomic sequences.

Experimental and Numerical Study on the Binary Fluid Flows in a Micro Channel (마이크로 채널 내의 이상유동에 대한 실험 및 수치해석적 연구)

  • Park, Jae-Hyoun;Heo, Hyeung-Seok;Suh, Young-Kweon
    • 한국가시화정보학회:학술대회논문집
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    • 2006.12a
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    • pp.86-91
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    • 2006
  • In this parer, we present the bubble forming and motion in the micro channel by using the two-dimensional numerical computation and experiment. In the numerical computation, The Lattice Boltzmann method(LBM) and free-energy model is used to treat the interfacial force and deformation of binary fluid system, drawn in to a micro channel and a numerical simulation is carried out by using the parallel computation method. The urn in this investigation is to examine the applicability of LBM to numerical analysis and experimental method of binary fluid separation and motion in the micro channel.

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Solvent Effect on Stress Relaxation of PET Filament Fibers and Self Diffusion of Crystallites

  • Nam Jeong Kim;Eung Ryul Kim;Sang Joon Hahn
    • Bulletin of the Korean Chemical Society
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    • v.12 no.5
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    • pp.468-473
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    • 1991
  • Viscoelastic properties of PET filament fibers on stress relaxation were investigated in the solvents of $H_2$O, 0.05% NaOH and 50% DMF using an Instron (UTM4-100 Tensilon) with solvent chamber. The theoretical stress relaxation equation derived by applying the Ree-Eyring's hyperbolic sine law to dashpot of three element non-Newtonian model was applied to the experimental stress relaxation curves, and the model parameters $G_1,G_2$, ${\alpha}$ and ${\beta}$ were obtained. By analyzing temperature dependency of the relaxation time, the values of activation entropy, activation enthalpy and activation free energy for flow in PET filament fiber were evaluated, the activation free energy being about 25.7 kcal/mol. The self diffusion coefficient and hole distance were obtained from parameters ${\alpha}$, ${\beta}$ and crystallite size in order to study the self diffusion and the orientation of crystallites in amorphous region and the effect of solvent.

Conformational Role of Proline in $\alpha$-Helices

  • Kang, Young-Kee;Kim, Mee-Kyoung
    • Proceedings of the Korean Biophysical Society Conference
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    • 1998.06a
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    • pp.22-22
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    • 1998
  • Conformational energy calculations have been carried out for proline-containing alanine-based pentadecapeptides with the sequence Ac-(Ala)/sun n/-Pro-(Ala)$_{m}$-NHMe (n + m = 14), in order to figure out the positional preference of proline in $\alpha$-helices. The conformational energy was computed a sum of the potential energy (ECEPP/3) and the hydration free energy computed by the hydration shell model.(omitted)d)

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Changes of Electrical Conductivity and Temperature Caused by Cathode Erosion in a Free-Burning Argon Arc

  • Jeon, Hong-Pil;Lee, Jong-Cheol
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.255.2-255.2
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    • 2014
  • Electrode erosion is indispensable for atmospheric plasma systems, as well as for switching devices, due to the high heat flux transferred from arc plasmas to contacts, but experimental and theoretical works have not identified the characteristic phenomena because of the complex physical processes. Our investigation is concerned with argon free-burning arcs with anode erosion at atmospheric pressure by computational fluid dynamics (CFD) analysis. We are also interested in the energy flux and temperature transferring to the anode with a simplified unified model of arcs and their electrodes. In order to determine two thermodynamic quantities such as temperature and pressure and flow characteristics we have modified Navier-Stokes equations to take into account radiation transport, electrical power input and the electromagnetic driving forces with the relevant Maxwell equations. From the simplified self-consistent solution the energy flux to the anode can be derived.

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A Study on the Application of Ecological Structural Dynamic Modelling (생태 모델링기법으로서 동적구조모형의 고찰)

  • Kim, Jwa-Kwan
    • Journal of Environmental Impact Assessment
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    • v.13 no.4
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    • pp.213-222
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    • 2004
  • Exergy is defined as the amount of work (entropy-free energy) a system can perform when it is brought into thermodynamic equilibrium with its environment. Exergy measures the distance from the inorganic soup in energy terms. Therefore, exergy can be considered as fuel for any system that converts energy and matter in a metabolic process. The aim of this study is to introduce structural dynamic modelling which is based on maximum exergy principle. Especially, almost ecological models couldn't explain algal succession until now. New model (structural dynamic model) is anticipated to predict or explain the succession theory. If the new concept using maximum exergy principle is used, algal succession can be explained in many actual cases. Therefore, It is estimated that structural dynamic model using maximum exergy principle might be a excellent tool to understand succession of nature from now on.