• Transactions of the Korean Society of Mechanical Engineers A
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• v.29 no.11 s.242
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• pp.1455-1462
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• 2005

In this paper, we intend to introduce a nonlinear finite element method based on the fully nonlinear potential flow theory in order to simulate the large amplitude sloshing flow in two-dimensional baffled tank subject to horizontally forced excitation. The free surface is tracked by a direct time differentiation scheme with the four-step predictor-corrector time integration method. The flow velocity is accurately recovered from the velocity potential by second-order least square method. In order to maintain the finite element mesh regularity and total mass, the semi-Lagrangian surface tracking method with area conservation is applied. According to the numerical formulae, we perform the parametric experiments by varying the installation height and the opening width of baffles, in order to examine the effects of baffle on the nonlinear liquid sloshing. From the numerical results, the hydrodynamic characteristics of the large amplitude sloshing are investigated.

• Textile Coloration and Finishing
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• v.21 no.5
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• pp.35-40
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• 2009

Computational calculations of molecular orbital and electrochemical redox/oxidation potentials are of very importance to determine the compound properties. The energy levels of molecular orbital were calculated by the density function theory (DFT) with exchange correction functional of local density approximation (LSA) based on the Perdew-Wang (PWC) setting and cyclic voltammetry.

• Journal of Korean Society for Atmospheric Environment
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• v.9 no.3
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• pp.242-246
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• 1993

Theoretically, spectral method has the highest accuracy among present numerical methods, but it is generally difficult to apply to complex terrains because of complex boundary conditions. Recently, spectral-element method, basically divide the domain into a set of rectangular subdomain and solve the equation at each subdomain, has been introduced. However, boundary conditions become more complex and requires more computing time, thus spectral-element method is not powerful for all complex terrain problems. In this paper, potential flow theory was intorduced to solve the air flows and diffusion phenomenon in the presence of terrain obstacles. Using the velocity potential-stream line orthogonal coordinate space, the diffusion problems of hilly terrain by pseudospectral method were solved and compared those with no terrain real scale solutions.

• International Journal of Naval Architecture and Ocean Engineering
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• v.9 no.6
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• pp.598-612
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• 2017

The recently developed Harmonic Polynomial Cell (HPC) method has been proved to be a promising choice for solving potential-flow Boundary Value Problem (BVP). In this paper, a flux method is proposed to consistently deal with the Neumann boundary condition of the original HPC method and enhance the accuracy. Moreover, fixed mesh algorithm with free surface immersed is developed to improve the computational efficiency. Finally, a two dimensional (2D) multi-block strategy coupling boundary-fitted mesh and fixed mesh is proposed. It limits the computational costs and preserves the accuracy. A fully nonlinear 2D numerical wave tank is developed using the improved HPC method as a verification.

• Proceedings of the Korea Concrete Institute Conference
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• 2005.11a
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• pp.659-662
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• 2005

Electrochemical impedance spectroscopy (EIS) has been extensively used to try to evaluate the corrosion state of the steel/concrete system. This technique is attractive because, in theory, used in a wide range of frequencies, it can give detailed information about the mechanisms and kinetics of the electrochemical reactions. Impedance measurements were performed using potential control and measuring the corresponding current response. One-year-old southern exposure test. specimens were used in the current study. The effectiveness of corrosion inhibiting additives was evaluated. The corrosion current densities estimated by impedance measurements were confirmed by those determined using linear polarization techniques. The purpose of this study was to evaluate the long-term-performance potential of the corrosion inhibitors in chloride contaminated reinforce concrete.

• Proceedings of the KSME Conference
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• 2002.08a
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• pp.381-384
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• 2002

The free surface flow problem has been one of the most interesting and challenging topic in the area of the naval ship hydrodynamics and ocean engineering field. The problem has been treated mainly in the scope of the potential theory and its governing equation is well known Laplace equation. But in general, the exact solution to the problem is very difficult to obtain because of the nonlinearlity of the free surface boundary condition. Thus the linearized free surface problem has been treated often in the past. But as the computational power increases, there is a growing trend to solve the fully nonlinear free surface problem numerically. In the present study, a time-dependent finite element method is developed to solve the problem. The initial-boundary problem is formulated and replaced by an equivalent variational formulation. Specifically, the computations are made for a highly nonlinear flow phenomena behind a transom stern ship and a vertical strut piercing the free surface.

• JSTS:Journal of Semiconductor Technology and Science
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• v.13 no.5
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• pp.530-537
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• 2013

An explicit surface potential calculation method of gate-all-around MOSFET (GAAMOSFET) devices which takes into account both interface trap charge and varying doping levels is presented. The results of the method are extensively verified by numerical simulation. Results from the model are used to find qualitative and quantitative effect of interface trap charge on subthreshold slope (SS) of GAAMOSFET devices. Further, design constraints of GAAMOSFET devices with emphasis on the effect of interface trap charge on device SS performance are investigated.

• Bulletin of the Korean Chemical Society
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• v.32 no.7
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• pp.2301-2305
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• 2011

The potential energy surface (PES) for the loss of HCN or HNC from the pyrazine molecular ion was determined based on quantum chemical calculations using the G3//B3LYP method. Four possible dissociation pathways to form four $C_3H_3N^{+{{\bullet}}$ isomers were examined. A Rice-Ramsperger-Kassel-Marcus quasi-equilibrium theory model calculation was performed to predict the dissociation rate constant and the product branching ratio on the basis of the obtained PES. The resultant rate constant for the HCN loss agreed with the previous experimental result. The kinetic analysis predicted that the formation of $CH=CHN{\equiv}CH^{+{\bullet}}+HCN$ was predominant, which occurred by three consecutive steps, a C-C bond cleavage to form a linear intermediate, a rearrangement to form an H-bridged intermediate, and elimination of HCN.

• Journal of the Korean Chemical Society
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• v.57 no.4
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• pp.461-471
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• 2013

Optimized geometrical structure, atomic charges, molecular electrostatic potential, nonlinear optical (NLO) effects and thermodynamic properties of the title compound N-(2,5-methylphenyl)salicylaldimine (I) have been investigated by using ab initio quantum chemical computational studies. Calculated results showed that the enol form of (I) is more stable than keto form. The solvent effect was investigated for obtained molecular energies, hardneses and the atomic charge distributions of (I). Natural bond orbital and frontier molecular orbital analysis of the title compound were also performed. The total molecular dipole moment (${\mu}$), linear polarizability (${\alpha}$), and first-order hyperpolarizability (${\beta}$) were calculated by B3LYP method with 6-31G(d), 6-31+G(d,p), 6-31++G(d,p), 6-311+G(d) and 6-311++G(d,p) basis sets to investigate the NLO properties of the compound (I). The standard thermodynamic functions were obtained for the title compound with the temperature ranging from 200 to 450 K.

• Proceedings of the Korea Committee for Ocean Resources and Engineering Conference
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• 2006.11a
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• pp.135-140
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• 2006

Numerical computations are made to predict wave loads on a vertical cylinder in an extreme wave. To generate the extreme wave, a frequency-focused unidirectional wave is adopted in three-dimensional numerical wave tank. The mathematical formulation is wide in the scope of the potential theory with fully nonlinear free surface conditions. As a numerical method, finite element method based on variational principle is applied. Comparisons between the present numerical results and the previous computation data. show a good agreement.