• Nuclear Engineering and Technology
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• v.44 no.1
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• pp.43-52
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• 2012

To compute a permeability coefficient along a rough fracture that takes into account the fracture geometry, this study performed detailed measurements of fracture roughness using a confocal laser scanning microscope, a quantitative analysis of roughness using a spectral analysis, and a homogenization analysis to calculate the permeability coefficient on the microand macro-scale. The homogenization analysis is a type of perturbation theory that characterizes the behavior of microscopically inhomogeneous material with a periodic boundary condition in the microstructure. Therefore, it is possible to analyze accurate permeability characteristics that are represented by the local effect of the facture geometry. The Cpermeability coefficients that are calculated using the homogenization analysis for each rough fracture model exhibit an irregular distribution and do not follow the relationship of the cubic law. This distribution suggests that the permeability characteristics strongly depend on the geometric conditions of the fractures, such as the roughness and the aperture variation. The homogenization analysis may allow us to produce more accurate results than are possible with the preexisting equations for calculating permeability.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.33 no.5
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• pp.318-325
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• 2009

Numerical analysis has been carried out to investigate air-side convective heat transfer characteristics in compact heat exchanger with flat tubes and continuous plate fins having a symmetric and non-symm etric staggered arrangements. Simulation results such as air velocity and temperature distributions are presented, and heat transfer coefficients are compared with previous experimental results. In order to investigate the flow and heat transfer features by periodic boundary conditions, the three blocks were used. Predicted heat transfer coefficients between the three blocks are similar while there are relatively differences, compared with the experimental data. From the calculated results a correlation for Colburn j factor in the compact heat exchanger system is suggested. The predicted results in this study can be applied to the optimal design of air conditioning system.

• Bulletin of the Korean Chemical Society
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• v.34 no.10
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• pp.2995-3004
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• 2013

The structural, electronic, and optical properties of poly(3-hexylthiophene) (P3HT) have been comprehensively studied by density functional theory (DFT) to rationalize the experimentally observed properties. Rather, we employed periodic boundary conditions (PBC) method to simulate the polymer block, and calculated effective charge mass from the band structure calculation for describing charge transport properties. The simulated results of P3HT are consistent with the experimental results in band gaps, absorption spectra, and effective charge mass. Based on the same calculated methods as P3HT, a series of polymers have been designed on the basis of the two types of building blocks, furofurans and furofurans substituted with cyano (CN) groups, to investigate suitable polymers toward polymer solar cell (PSC) materials. The calculated results reveal that the polymers substituted with CN groups have good structural stability, low-lying FMO energy levels, wide absorption spectra, and smaller effective masses, which are due to their good rigidity and conjugation in comparison with P3HT. Besides, the insertion of CN groups improves the performance of PSC. Synthetically, the designed polymers PFF1 and PFF2 are the champion candidates toward PSC relative to P3HT.

• Structural Engineering and Mechanics
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• v.74 no.1
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• pp.91-104
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• 2020

A mathematical analysis has been carried out for understanding the traversal attributes of torsional waves in a Voigt-type viscoelastic porous layer bounded with corrugated surfaces resting over a heterogeneous transversely isotropic gravitating semi-infinite medium. Both the media are assumed to be under the effect of initial stresses acting along horizontal directions. In the presumed geometry, continuous and periodic type of corrugation has been considered. The condensed form of dispersion relation has been obtained analytically with the aid of the Whittaker's function and suitable boundary conditions. The influence of viscoelasticity, porosity, initial stresses, heterogeneity, gravity, undulation and position parameters on the phase and damped velocities has been illustrated graphically. In addition, relative examination investigating the impact of corrugated and planar bounded surfaces on the dispersion and damping characteristics is one of the important highlights of this study.

• Journal of Power Electronics
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• v.19 no.3
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• pp.655-664
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• 2019

In order to analyze the nonlinear phenomena of the bifurcation and chaos caused by the switching of nonlinear switching devices in inductively coupled power transfer (ICPT) systems, a Jacobian matrix model, based on discrete mapping numerical modeling, is established to judge the system stability of the periodic closed orbit and to study the nonlinear behavior of Hopf bifurcation in a system under full resonance. The general flow of the parameter design, based on the stability principle for ICPT systems, is proposed to avoid the chaos and bifurcation phenomena caused by unreasonable parameter selection. Firstly, based on the state equation of SS-type compensation, a three-dimensional bifurcation diagram with the coupling coefficient as the bifurcation parameter is established with a numerical simulation to observe the nonlinear phenomena in the system. Then Filippov's method based on a Jacobian matrix model is adopted to deduce the boundary of stable operation and to judge the type of the bifurcation in the system. Then the general flow of the parameter design based on the stability principle for ICPT systems is proposed through the above analysis to realize stable operation under the conditions of weak coupling. Finally, an experimental platform is built to confirm the correctness of the numerical simulation and modeling.

• Journal of computational fluids engineering
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• v.21 no.3
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• pp.98-109
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• 2016

The flow and heat transfer characteristics of a heat exchanger having rectangular pin-fin in the flow direction have been investigated numerically. On the bottom plate, the convective boundary conditions for the hot side was given, and the fins were arranged in a channel-type geometric model using the periodic boundary condition in the span-wise direction. Three-dimensional numerical calculations for the flow and conjugate heat transfer problem were conducted using SIMPLE algorithm and $k-{\varepsilon}$ turbulence model. For the slanted pin-fin models, it was found that the downward cooling flow is generated due to the downward pressure gradient component, which can enhance the heat transfer performance near the bottom surface and the fin stem region. Four different inclined angles were considered in the Reynolds number range of 13,500-55,000. The aero-thermal performance of the slanted pin-fin heat exchangers, such as the volume and area goodness factors, were summarized and compared with the baseline plate-fin type heat exchanger quantitatively.

• Bulletin of the Korean Chemical Society
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• v.35 no.7
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• pp.2013-2018
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• 2014

The adsorption and decomposition of trimethylene oxide ($C_3H_6O$) molecule on the Al(111) surface were investigated by the generalized gradient approximation (GGA) of density functional theory (DFT). The calculations employed a supercell ($6{\times}6{\times}3$) slab model and three-dimensional periodic boundary conditions. The strong attractive forces between $C_3H_6O$ molecule and Al atoms induce the C-O bond breaking of the ring $C_3H_6O$ molecule. Subsequently, the dissociated radical fragments of $C_3H_6O$ molecule oxidize the Al surface. The largest adsorption energy is about -260.0 kJ/mol in V3, V4 and P2, resulting a ring break at the C-O bond. We also investigated the decomposition mechanism of $C_3H_6O$ molecules on the Al(111) surface. The activation energies ($E_a$) for the dissociations V3, V4 and P2 are 133.3, 166.8 and 174.0 kJ/mol, respectively. The hcp site is the most reactive position for $C_3H_6O$ decomposing.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.35 no.8
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• pp.957-964
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• 2011

This investigation presents a finite element method to obtain the transmission properties of bulk elastic waves in piezoelectric band gap structures(phonon crystals) for varying frequencies and modes. To this end, periodic boundary conditions are imposed on a three-dimensional model while both in-plane and out-of-plane modes are included. In particular, the mode decoupling characteristics between in-plane and out-of-plane modes are identified for each electric poling direction and the results are incorporated in the finite element modeling. Through numerical simulations, the proposed modeling method was found to be a useful, effective one for analyzing the wave characteristics of various types of piezoelectric phononic band gap structures.

• Korean Journal of Materials Research
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• v.8 no.8
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• pp.678-684
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• 1998

By means of constant- pressure molecular dynamics simulations, we studied the liquid- glass- crystalline transition of a system composed of Lennard- Jones particles with periodic boundary conditions. Atomic volume and enthalpy were calculated as functions of temperature during heating and cooling processes. The Wendt- Abraham ratio derived from radial distribution function and the angular distribution function characterizing short range order were analyzed to distinguish between liquid, glass and crystalline states. A liquid phase resulting from a slow heating of an initial fee crystal amorphized on fast quench, but it crystallized on slow quench. When slowly heated, the amorphous phase from fast quench crystallized into an fee structure. A system with free surface was shown to melt from the surface inward at a lower temperature than bulk system and to have a strong tendency for crystallization even during a fast quench from a liquid state.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.31 no.7
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• pp.41-52
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• 2003

In this paper, three-dimensional thermo-mechanical properties of carbon-phenolic 8-hamess satin weave composites were predicted considering geometric parameters of microstructures. The effective properties were calculated by a series of numerical experiments based on unit cell analysis. The microstructural details were modeled through macro-elements, and the periodic boundary conditions were derived for corresponding un it cell types. The Monte Carlo method was employed to consider the random phase shift between the layers, and the results were investigated on the effect of the geometric parameters of shift, number of layers and waviness ratios. Experimental tests were also performed and the results were compared.