• 한국원자력학회:학술대회논문집
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• 한국원자력학회 2002년도 춘계공동학술발표회요약집
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• pp.120-120
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• 2002

• 열처리공학회지
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• 제13권4호
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• pp.259-264
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• 2000

In this study, we quantitatively measure the ion ranges of arsenic with energies ranging from 10 KeV to 100 KeV, implanted at $3^{\circ}$, $9^{\circ}$ $15^{\circ}$ the (100) plane, and the damage created during ion implantation. To obtain detailed information of ion range and damage distributions in low energy region where elastic collisions dominate the slowing down process, molecular dynamics computer simulation was performed and compared to the existing results. The effects of implant energy and degree on damage generation are present. The number of vacancy were calculated from the deposited energy using Kinchin-Pease equation. In the energy range 10 keV-100 keV, simulations show that the number of Frenckel pairs produced by As-ion bimbardment is 9 and incident angle dependence of the vacancy was the same but defects were distributed at different depth.

• Nuclear Engineering and Technology
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• 제49권6호
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• pp.1310-1317
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• 2017

GASFLOW-MPI is a widely used scalable computational fluid dynamics numerical tool to simulate the fluid turbulence behavior, combustion dynamics, and other related thermal-hydraulic phenomena in nuclear power plant containment. An efficient scalable linear solver for the large-scale pressure equation is one of the key issues to ensure the computational efficiency of GASFLOW-MPI. Several advanced Krylov subspace methods and scalable preconditioning methods are compared and analyzed to improve the computational performance. With the help of the powerful computational capability, the large eddy simulation turbulent model is used to resolve more detailed turbulent behaviors. A backward-facing step flow is performed to study the free shear layer, the recirculation region, and the boundary layer, which is widespread in many scientific and engineering applications. Numerical results are compared with the experimental data in the literature and the direct numerical simulation results by GASFLOW-MPI. Both time-averaged velocity profile and turbulent intensity are well consistent with the experimental data and direct numerical simulation result. Furthermore, the frequency spectrum is presented and a -5/3 energy decay is observed for a wide range of frequencies, satisfying the turbulent energy spectrum theory. Parallel scaling tests are also implemented on the KIT/IKET cluster and a linear scaling is realized for GASFLOW-MPI.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2011년도 추계학술대회 초록집
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• pp.39.2-39.2
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• 2011

The new and renewable energy today has a great interest in all countries around the world. In special it has need more limit of the fossil fuel that needs of low carbon emission among the social necessary conditions. Recently, the high-rise building demand the structural safety, the economic feasibility and the functional design. The high-rise building spends enormous energy and it satisfied the design in solving energy requirements. The requirements of energy for the building depends on the partly form wind energy due to the cladding of the building that came from the surroundings of the high-rise building. In this study of the wind energy, the cladding of the building was assessed a tentative study. The wind energy obtains from several small wind powers that came from the building or the surrounding of the building. In making a cladding the wind energy forms with wind pressure by means of energy transformation methods. The assessment for the building cladding was surrounded of wind speed and wind pressure that was carried out as a result of numerical simulation of wind environment and wind pressure which is coefficient around the high-rise building with the computational fluid dynamics. In case of the obtained wind energy from the pressure of the building cladding was estimated by the simulation of CFD of the building. The wind energy at this case was calculated by energy transform methods: the wind pressure coefficients were obtained from the simulated model for wind environment using CFD as follow. The concept for the factor of $E_f$ was suggested in this study. $$C_p=\frac{P_{surface}}{0.5{\rho}V^{2ref}}$$ $$E_c=C_p{\cdot}E_f$$ Where $C_p$ is wind pressure coefficient from CFD, $E_f$ means energy transformation parameter from the principle of the conservation of energy and $E_c$ means energy from the building cladding. The other wind energy that is $E_p$ was assessed by wind power on the building or building surroundings. In this case the small wind power system was carried out for wind energy on the place with the building and it was simulated by computational fluid dynamics. Therefore the total wind energy in the building was calculated as the follows. $$E=E_c+E_p$$ The energy transformation, which is $E_f$ will need more research and estimation for various wind situation of the building. It is necessary for the assessment to make a comparative study about the wind tunnel test or full scale test.

• Bulletin of the Korean Chemical Society
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• 제25권2호
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• pp.198-202
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• 2004

Hydrogen bond is an important factor in the structures of carbohydrates. Because of great strength, short range, and strong angular dependence, hydrogen bonding is an important factor stabilizing the structure of carbohydrate. In this study, conformational properties and the hydrogen bonds in GlcNAc( ${\beta}$1,3)Gal(${\beta}$)OMe in DMSO are investigated through NMR spectroscopy and molecular dynamics simulation. Lowest energy structure in the adiabatic energy map was utilized as an initial structure for the molecular dynamics simulations in DMSO. NOEs, temperature coefficients, SIMPLE NMR data, and molecular dynamics simulations proved that there is a strong intramolecular hydrogen bond between O7' and HO3' in GlcNAc( ${\beta}$1,3)Gal(${\beta}$)OMe in DMSO. In aqueous solution, water molecule makes intermolecular hydrogen bonds with the disaccharides and there was no intramolecular hydrogen bonds in water. Since DMSO molecule is too big to be inserted deep into GlcNAc(${\beta}$1,3)Gal(${\beta}$)OMe, DMSO can not make strong intermolecular hydrogen bonding with carbohydrate and increases the ability of O7' in GlcNAc(${\beta}$1,3)Gal(${\beta}$)OMe to participate in intramolecular hydrogen bonding. Molecular dynamics simulation in conjunction with NMR experiments proves to be efficient way to investigate the intramolecular hydrogen bonding existed in carbohydrate.

• Bulletin of the Korean Chemical Society
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• 제23권2호
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• pp.271-276
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• 2002

The energy relaxation dynamics of the lowest excited singlet and triplet states of the Zn(II)porphyrin monomer and its directly linked arrays were comparatively investigated with increasing the number of porphyrin moieties. While the fluorescence decay rates and quantum yields of the porphyrin arrays increased with the increase of porphyrin units, their triplet-triplet (T-T) absorption spectra and decay times remained almost the same. The difference in the trends of energy relaxation dynamics between the excited singlet and triplet states has been discussed in view of the electronic orbital configurations.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2007년도 춘계학술대회A
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• pp.343-348
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• 2007

Molecular dynamics study of thermal NIL (Nano Imprint Lithography) process is performed to examine stamp-resist interactions. A layered structure consists of Ni stamp, poly-(methylmethacrylate) thin film resist and Si substrate was constructed for isothermal ensemble simulations. Imposing confined periodicity to the layered unit-cell, sequential movement of stamp followed by NVT simulation was implemented in accordance with the real NIL process. Both vdW and electrostatic potentials were considered in all non-bond interactions and resultant interaction energy between stamp and PMMA resist was monitored during stamping and releasing procedures. As a result, the stamp-resist interaction energy shows repulsive and adhesive characteristics in indentation and release respectively and irregular atomic concentration near the patterned layer were observed. Also, the spring back and rearrangement of PMMA molecules were analyzed in releasing process.

• 천문학회지
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• 제48권3호
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• pp.191-194
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• 2015

Massive gravity provides a natural solution for the dark energy problem of cosmology and is also a candidate for resolving the dark matter problem. I demonstrate that, assuming reasonable scaling relations, massive gravity can provide for Milgrom’s law of gravity (or “modified Newtonian dynamics”) which is known to remove the need for particle dark matter from galactic dynamics. Milgrom’s law comes with a characteristic acceleration, Milgrom’s constant, which is observationally constrained to a₀ ≈ 1.1 × 10⁻¹⁰ ms⁻² . In the derivation presented here, this constant arises naturally from the cosmologically required mass of gravitons like , with Λ, H₀, and Ω_Λ being the cosmological constant, the Hubble constant, and the third cosmological parameter, respectively. My derivation suggests that massive gravity could be the mechanism behind both, dark matter and dark energy.

• 한국전기전자재료학회논문지
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• 제16권6호
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• pp.454-459
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• 2003

We investigate the structure and properties of SiC (Silicon Carbide) nanotubes using molecular dynamics simulation based on the Tersoff bond-order potential. For small diameter tubes, the Si-C bond distance of SiC nanotubes decreases as the nanotube diameter is decreased, due to curvature of the nanotube surface. We find that Young's modulus of SiC nanotubes is somewhat smaller than that of the other nanotubes considered so far. However, Young's modulus for SiC nanotubes is larger than that of ${\beta}$-SiC and almost equal to the experimental value for SiC nanorod and SiC whisker. The strain energy of the SiC nanotubes is also lower than that of the other nanotubes. The lower strain energy of SiC nanotubes raises the possibility of synthesis of SiC nanotubes.

• EDISON SW 활용 경진대회 논문집
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• 제4회(2015년)
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• pp.70-75
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• 2015

Fasciclin 1 (FAS1) is an extracellular protein whose aggregation in cornea leads to visual impairment. While a number of FAS1 mutants have been studied that exhibit enhanced/decreased aggregation propensity, no structural information has been provided so far that is associated with distinct aggregation potential. In this study, we have investigated the structural and thermodynamic characteristics of the wild-type FAS1 and its two mutants, R555Q and R555W, by using molecular dynamics simulations and three-dimensional reference interaction site model (3D-RISM) theory. We find that the hydrophobic solvent accessible surface area increases due to hydrophobic core repacking in the C-terminus caused by the mutation. We also find that the solvation free energy of the mutants increases due to the enhanced non-native H-bonding. These structural and thermodynamic changes upon mutation contribute to understand the aggregation of these mutants.