• Journal of Mechanical Science and Technology
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• v.17 no.12
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• pp.2034-2041
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• 2003

This study introduced a lattice Boltzmann computational scheme capable of modeling thermo hydrodynamic flows with simpler equilibrium particle distribution function compared with other models. The equilibrium particle distribution function is the local Maxwelian equilibrium function in this model, with all the constants uniquely determined. The characteristics of the proposed model is verified by calculation of the sound speeds, and the shock tube problem. In the lattice Boltzmann method, a thermal fluid or compressible fluid model simulates the reflection of a weak shock wave colliding with a sharp wedge having various angles $\theta$$\sub$w/. Theoretical results using LBM are satisfactory compared with the experimental result or the TVD.

• Proceedings of the KSME Conference
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• 2001.11b
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• pp.468-474
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• 2001

The shock process represents an abrupt change in fluid properties, in which finite variations in pressure, temperature, and density occur over a shock thickness which is comparable to the mean tree path of the gas molecules involved. The fluid phenomenon is simulated by using finite difference lattice Boltzmann method (FDLBM). In this research, the new model is proposed using the lattice BGK compressible fluid model in FDLBM for the purpose of shortening in calculation time and stabilizing in simulation operation. The numerical results agree also with the theoretical predictions.

• Bulletin of the Korean Chemical Society
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• v.5 no.2
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• pp.61-64
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• 1984

The molecular orbital calculations for solid HF are performed by using the pseudolattice method considering the coulomb lattice sum. In order to obtain the reliable net atomic charges and lattice energy of one dimensional chains, the limited counting of interactions terms up to second neighbours for zig-zag chain and third neighbours for linear chain are sufficient in this calculation. In three dimensional solid HF, the contribution of interaction energy between non-hydrogen bonded neighbours to lattice energy is about 3.5% and the lattice energy of nonpolar structure is stablized by 2.05 kcal/mole compared with that of polar structure. And, this method is further tested and compared with the other methods.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.30 no.5 s.248
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• pp.438-445
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• 2006

We performed the simulation of the unsteady three dimensional flow over a square cylinder in a wind tunnel in moderate Reynolds number range, $100{\sim}2500$ by using LBM. SGS model was applied for the turbulent flow. Frist of all we compared LBM(Lattice Boltzmann Method) solution of Poiseuille flow applied Farout and bounce back boundary conditions with the analytical and FOAM solutions to verify the applicability of the boundary conditions. For LBM simulation the calculation domain was formed by structured grids and prescribed uniform velocity and density inlet and Farout boundary conditions were imposed on the in-out boundaries. Bounceback and wind tunnel boundary conditions were applied to the cylinder walls and the boundaries of calculation domain respectively. The maximum Strouhal number of the vortex shedding is 0.2025 at Re = 750. and the number maintains the constant value of 0.18 when Re>1000. We also predicted that the critical reynolds number of the turbulent flow is in the range of $250{\sim}500$.

• Proceedings of the KSME Conference
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• 2003.04a
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• pp.1089-1093
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• 2003

The moving least square (MLS) basis is implemented for the real-space band-structure calculation of 2D photonic crystals. The value-periodic MLS shape function is thus used in order to represent the periodicity of crystal lattice. Any periodic function can properly be reproduced using this shape function. Matrix eigenequations, derived from the macroscopic Maxwell equations, are then solved to obtain photonic band structures. Through numerical examples of several lattice structures, the MLS-based method is proved to be a promising scheme for predicting band gaps of photonic crystals.

• Proceedings of the KIEE Conference
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• 1987.07b
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• pp.1073-1076
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• 1987

In this paper, a new ray tracing algorithm which uses space subdivision method is introduced. In order to reduce huge number of ray-surface intersection calculation, the space is subdivided as lattice that contains minimum number of objects. With lattice structure, the process that calculates unnecessary ray-surface intersection is eliminated.

• Journal of the Semiconductor & Display Technology
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• v.6 no.3
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• pp.13-17
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• 2007

Effect of Co substitution on crystal structures of two nickel silicides, NiSi and $NiSi_2$, is investigated by using an ab initio calculation. Relaxed NiSi and $NiSi_2$ structures are calculated and the calculated lattice parameters are in good agreement with experimentally determined lattice parameters within about 2%. A Co atom substitutes a Ni and Si site, respectively, to evaluate the preferable site between them. Co prefers Ni site to Si site in both NiSi and $NiSi_2$. The calculated total energy also indicates that the Co substitution to Ni site stabilizes both the NiSi and $NiSi_2$ structures. Co also prefers Ni site in $NiSi_2$ to that in NiSi, indicating that $NiSi_2$ becomes more stable than NiSi with Co substitution. As Co addition to NiSi improves its thermal stability experimentally, this indicates that the energy barrier between the two phases is high enough to prevent the phase transformation from NiSi to $NiSi_2$ up to high temperature.

• Nuclear Engineering and Technology
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• v.55 no.9
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• pp.3450-3463
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• 2023

In the two-step analysis of Pebble-Bed type High-Temperature Gas-Cooled Reactor (PB-HTGR), the lattice physics calculation for the generation of homogenized cross-sections is based on the fuel pebble. However, the randomly-dispersed fuel particles in the fuel pebble introduce double heterogeneity and randomness. Compared to the deterministic method, the Monte Carlo method which is flexible in geometry modeling provides a high-fidelity treatment. Therefore, the Monte Carlo code NECP-MCX is extended in this study to perform the lattice physics calculation of the PB-HTGR. Firstly, the capability for the simulation of randomly-dispersed media, using the explicit modeling approach, is developed in NECP-MCX. Secondly, the capability for the generation of the homogenized cross-section is also developed in NECP-MCX. Finally, simplified PB-HTGR problems are calculated by a two-step neutronics analysis tool based on Monte Carlo homogenization. For the pebble beds mixed by fuel pebble and graphite pebble, the bias is less than 100 pcm when compared to the high-fidelity model, and the bias is increased to 269 pcm for pebble bed mixed by depleted fuel pebble. Numerical results show that the Monte Carlo lattice physics calculation for the two-step analysis of PB-HTGR is feasible.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.24 no.7
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• pp.599-604
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• 2011

A highly strained nanostructure comprising crystallographically aligned HgTe nanoinclusions and a surrounding PbTe matrix has been synthesized using a precipitation process of supersaturated HgTe-PbTe alloys. From the early precipitation stage, HgTe nanoinclusions take disk shape, which is transformed from initial HgTe nuclei, although there is no lattice constant difference of the two end components at standard state. As a primary reason for the morphological transformation of the initial spherical HgTe nuclei to HgTe nanodisks, the induced lattice mismatch is suggested. On the condition that the HgTe nanodisks maintain perfect coherent nature with PbTe matrix, the stress-free lattice constant of constrained HgTe nanodisks has been calculated based on the defined concept of the strain-induced tetragonality, the linear elasticity and the actual measurement in HRTEM images.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.8 no.1
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• pp.91-96
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• 1998

An empirical relationship which can be calculated to the lattice constants $a_0$ and $c_0$ for the borate crystals with huntite structure were determined. Different compositions of twenty-eight were used for the calculations. These empirical formulas can be used to predict lattice parameters of unknown compositions as a function of the average ionic radii in the trigonal and octahedral sites of the huntite structure.