• Journal of the Korean Chemical Society
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• v.51 no.2
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• pp.125-128
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• 2007

In applying Numerov-Cooley method, Excel tool ‘Solver' is used to match those two wave functions propagated inward and outward, respectively. It is numerically confirmed that the same eigenvalue is obtained by using the average of two energy values of each inward and outward wave functions. This method is applied to a NO molecule potential, and we calculated the variations of the average bond distance and tunneling for a given vibrational energy. It is found that the average bond lengths increase proportionately to the vibrational energy, while the tunneling is not so sensitive to the energy changes. Rather substantial amount of tunnel effect is found for every vibrational state.

• Journal of the Korea Concrete Institute
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• v.25 no.5
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• pp.547-554
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• 2013

This study was intended to estimate the bond strength of steel fiber in UHPFRC through pullout test. The pullout test was carried out with the double-sided pullout specimens with multiple fibers. First, the effect of fiber density on the bond strength was investigated, and the experimental result presented that the density range considered in this study was proved not to produce fiber-to-fiber interaction. The bond strength was estimated from several methods, which are based on the pullout load or energy at peak load, and the total energy absorbed until fibers are pulled out completely. the estimated bond strength obtained from the total energy was shown to be under the influence of the embedded length of fiber. the bond strengths obtained from peak load condition was 6.64 MPa in average, which had little difference compared to 6.46 MPa calculated by peak load only. Considering simplicity of test and analysis, it may be no matter to estimate the bond strength from peak load in pullout test.

• International Journal of Concrete Structures and Materials
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• v.1 no.1
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• pp.37-43
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• 2007

This paper discusses the failure mode of reinforced concrete beams strengthened with composite materials based on six experimental set-ups to determine the FRP-to-concrete bond strength. Interfacial bond behavior between concrete and CFRP plates was discussed. Shear test were performed with different concrete compressive strengths (21 MPa and 28 MPa) and different bonding length (100 mm, 150 mm, 200 mm, and 250 mm). Shear test results indicate that the effective bond length (the bond length beyond which the ultimate load does not increase) was estimated as $196{\sim}204\;mm$ through linear regression analysis. Failure mode of specimens occurred due to debonding between concrete and CFRP plates. Maximum bond stress is calculated as about $3.0{\sim}3.3\;MPa$ from the relationships between bond stress and slip. Finally, the interfacial bond-slip model between CFRP plates and concrete, which is governed debonding failure, has been estimated from shear tests. Average bond stress was about $1.86{\sim}2.04\;MPa$, the volume of slip between CFRP plate and concrete was about $1.45{\sim}1.72\;mm$, and the fracture energy was found to be about $1.35{\sim}1.71\;N/mm$.

• Proceedings of the Korea Concrete Institute Conference
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• 2004.11a
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• pp.635-638
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• 2004

External bonding of steel plates has been used to strengthen deficient reinforced-concrete structures since the 1960s. In recent years, fiber-reinforcde polymer(FRP) plates have been increasingly used to replace steel plates due to their superior properties. This paper is concerned with anchorage failure due to crack propagation parallel to the boned plated near or along the adhesive/concrete interface, staring from the critically stressed position toward the anchored end of the plates. Factor of bond-slip interface model is average bond stress, effective length, slip volume and fracture energy. The aim of the present paper is to provide a comprehensive assessment of bond-slip interface model with concrete and CFRP plates.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.15 no.9
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• pp.770-775
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• 2002

We present the band lineups of G $e_{1-}$x S $n_{x}$ G $e_{1-}$y S $n_{y(001)}$ heterostructures for the new devices. The energy gap of the bulk G $e_{1-}$x S $n_{x}$ alloy is calculated by taking into account the Vegard's law. The change of the energy gap due to the strain is understood in terms of the deformation Potential theory The valence band offset is obtained from the average bond energy model, where the changes of the band offset due to alloy compositions and strain are included. It is found that Ge/G $e_{1-}$y S $n_{y(001)}$ heterostructure has a staggered lineup type for 0$\leq$0.06 and a straddling one for 0.06$\leq$0.26. Meanwhile, Ge/G $e_{l-y}$ S $n_{y(001)}$ heterostructure has a staggered lineup type for 0$\leq$0.19 and a broken-gap one for 0.19$\leq$0.26. As a result, the various type of the G $e_{1-}$x S $n_{x}$ G $e_{1-}$y S $n_{y(001)}$ heterostructure can be applied for the useful device.evice.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.02a
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• pp.265-265
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• 2013

We have investigated the influences of dangling bonds generated by alpha particle irradiation on friction and adhesion properties of graphene. Single layer of graphene grown with chemical vapor deposition on copper foil was irradiated by the alpha beam with the average energy of 3.04 MeV and the irradiation dosing between $1{\times}10^{14}$ and $1{\times}10^{15}$/$cm^3$. Raman spectroscopic showed that the ${\pi}$ electron states below Fermi level arises and the $I_D$/$I_G$ increases as increasing the dosing of alpha particle irradiation. The core level X-ray photoelectron (XPS) revealed that these defects represent the creation of various carbon-related defects and dangling bond. The nanoscale tribological properties were investigated with atomic force microscopy in ultrahigh vacuum. The friction appeared to increase remarkably as increasing the amount of dosing, indicating that the dangling bonds on graphene layers enhances the energy dissipations in friction. This trend can be explained by the additional channel of energy dissipation by dangling bond or O- and H- terminated clusters created by alpha particle irradiation.

• Corrosion Science and Technology
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• v.18 no.4
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• pp.129-137
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• 2019

CFRP (Carbon Fiber Reinforced Plastics) is composed of carbon fiber and plastic resin, and is approximately 20 - 50% lighter than metallic materials. CFRP has a low density, higher specific stiffness, specific strength, and high corrosion resistance. Because of these excellent properties, which meet various regulation conditions needed in the industrial fields, CFRP has been widely used in many industries including aviation and ship building. However, CFRP reveals water absorption in water immersion or high humidity environments, and water absorption occurs in an epoxy not carbon fiber, and can be facilitated by higher temperature. Since these properties can induce volume expansion inside CFRP and change the internal stress state and degrade the chemical bond between the fiber and the matrix, the mechanical properties including bond strength may be lowered. This study focused on the effects of NaCl concentration (0.01 - 1% NaCl) and solution temperature ($30-75^{\circ}C$) on the galvanic corrosion between CFRP and A516Gr.55 carbon steel. When NaCl concentration increases 10 times, corrosion rate of a specimen was not affected, but that of galvanic coupled carbon steel increased by 46.9% average. However, when solution temperature increases $10^{\circ}C$, average corrosion rate increased approximately 22%, regardless of single or galvanic coupled specimen.

• Bulletin of the Korean Chemical Society
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• v.7 no.2
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• pp.124-129
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• 1986

The effects of molecular attraction and orientations for the energy mismatch variance, vibrational energy level and double-quantum transition, in the vibration-vibration energy exchange, have been considered. The contribution of molecular attraction increases the exchange rate of the purely repulsive interaction, in general, significantly, but which becomes smaller as the temperature is increased. As the energy mismatch is increased, its contribution is also increased, but which is small. However, its contribution for the double-quantum transition is very paramount. At each orientation, the exchange rate constants have been calculated and compared with the results for rotational average, and it is found that the exchange rate is a strong function of the orientation angles of colliding molecules. We have also discussed about the system having the strong interaction such as the hydrogen bond, and it is found that for this system the preferred orientation should be considered in order to calculate the exchange rates.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.16 no.3
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• pp.2279-2286
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• 2015

Recently it has been actively studied that the use of hybrid GFRP-concrete structure with dual purpose of both a permanent forwork and main tensile reinforcement of GFRP plank. In applying general analysis and design technique to evaluate the performance of hybrid structures with cast-in-place high strength concrete and GFRP plank, it is essential that the characteristics of the bond slip model is identified. In this study a simplified bilinear bond slip model for hybrid structure with GFRP plank and cast-in-place high strength concrete is proposed. Maximum average bond stress of simple bond slip relationship that has been proposed in this study is 3.29MPa, initial slope is 35.66MPa/mm, the total slip is 0.23mm and interfacial fracture energy is 0.37kN/m.

• Journal of the Korean Chemical Society
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• v.67 no.5
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• pp.333-338
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• 2023

In this study, the H₂O reaction with SiO clusters was investigated using ab initio Monte Carlo simulations and density functional theory calculations. Three chemistry models, PBE1/DGDZVP (Model 1), PBE1/DGDZVP (Si atom), and aug-cc-pVDZ (O and H atoms), (Model 2) and PBE1/aug-cc-pVDZ (Model 3), were used. The average bond lengths, as well as the relative and reaction energies, were calculated using Models 1, 2, and 3. The average bond lengths of Si-O and O-H are 1.67-1.75 Å and 0.96-0.97 Å, respectively, using Models 1, 2, and 3. The most stable structures were formed by the H transfer from an H₂O molecule except for Si₃O₃-H₂O-1 cluster. The Si₃O₃ cluster with H₂O exhibited the lowest reaction energy. In addition, the Bader charge distributions of the Si_nO_n and (SiO)_n-H₂O clusters with n = 1-7 were calculated using Model 1. We determined that the reaction sites between H₂O and the SiO clusters possessed the highest fraction of electrons.