• Structural Engineering and Mechanics
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• v.74 no.5
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• pp.601-609
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• 2020

In this article, the Strain Energy Density (SED) averaged over a well-defined control volume at a notch edge was applied in combination with the Equivalent Material Concept (EMC) to assess the fracture behaviors of some keyhole-notched specimens made of a High-Density Polyethylene (HDPE-PE80) material under mixed-mode loading conditions. An experimental program was performed and 54 new experimental data were totally provided. Additionally, different loading mode ratios were regarded by changing the inclination angles of the notches with respect to the applied load directions. The results obtained from the determined criteria were in good agreement with those of the experimental data.

• Journal of the Korean Chemical Society
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• v.64 no.2
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• pp.61-66
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• 2020

In this study, we investigate the structural and electronic properties of copper oxide clusters, Cu_nO_n (n = 9 - 15). To find the lowest energy structures of copper oxide clusters, we use ReaxFF and density functional theory calculations. We calculate many initial copper oxide clusters using ReaxFF quickly. Then we calculate the lowest energy structures of copper oxide clusters using B3LYP/LANL2DZ model chemistry. We examine the atomization energies per atom, average bond angles, Bader charges, ionization potentials, and electronic affinities of copper oxide clusters. In addition, the second difference in energies is investigated for relative energies of copper oxide clusters.

• Elastomers and Composites
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• v.50 no.1
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• pp.1-6
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• 2015

Polybutadiene rubber (BR) has been well known that its physical and chemical properties are changed when it is exposed to ultraviolet light undergoing photooxidation. In this study, photooxdiation process of BR vulcanizate was investigated using a high pressure mercury lamp used as an outdoor lighting, which has high UV radiation efficiency and reasonable cost. Discoloration and crack formation of photooxdized BR vulcanite surface were examined using an image analyzer. Change of chemical functional groups of BR vulcanite surface by photooxidation was investigated using ATR-FTIR, and variation of the crosslink density with the UV irradiation time was investigated. By increasing the UV irradiation time, the crosslink density steeply increased after a period of time and did not increase any more. Formation of hydroxyl (~OH) and carbonyl (~C=O) groups on the BR vulcanizate surface increased and the1,4-cis unit was converted to the 1,4-trans unit as the photooxidation was proceeded.

• Journal of the Korean Applied Science and Technology
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• v.20 no.4
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• pp.296-308
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• 2003

The capacity and long life of gel electrolyte batteries is connected with gas recombination producting $PbO_2$ and Pb electrode. We were prepared with phosphoric acid gel electrolyte to know gel characteristics per density to assemble VRLA batteries. We studied by measuring electrolyte dispersion using Brewster-angle microscope(BAM), charge-discharge cycle and electrode structure using scanning election microscope(SEM) per electrolyte density. As a results, phosphoric acid density 1.210 was excellent gel dispersion in sol condition, electrode condition after fifty cycles in this study.

• Journal of Power System Engineering
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• v.9 no.4
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• pp.143-147
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• 2005

Graphites is well known to have superior advantages to high-temperature, high-pressured, and strong acid-state gas or liquid because it is very stable and chemical structure. Nowadays the new plant with high performance is developed in field of chemical industries, so the need of graphites is increasing rapidly. In this paper, newly developed graphite products with high density is investigated by the mechanical properties of that. I introduced the graphite material which developed for this experiment by the forming process in order to compare to the commercial graphite sheet from expanded graphite which made by the rolling process. Through measuring density and hardness test also tensile test, I investigated the characteristics of these materials. It is verified that the newly developed graphite products forming method is able to make graphite products which have superior mechanical properties than that of commercial graphite sheet.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.11 no.7
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• pp.552-556
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• 1998

Diamond thin films were deposited on Si substrate using $CH_4 and H_2$mixed gas by RF plasma CVD. Prior to deposition, the substrate surface was mechanically scratched with the diamond paste of $3{\mu}m$ to improve the density of nucleation sites. The microstructure of diamond films deposited with methane(0.5%~2%) at the reaction pressure ranging from 20 torr to 50torrr were studied by a scanning electron microscope. It was observed in the deposited diamond films that the nucleation density decreased and crystallinity increased with decreasing the methane concentration. However, the nucleation density and crystallinity were decreased with decreasing the process pressure.

• Journal of the Korean Chemical Society
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• v.23 no.1
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• pp.15-19
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• 1979

The new concept of the Bonding and Antibonding Regions in the transition density space is developed from the Integral Hellmann-Feynman Theorem and the positive definiteness of the transition density. The unility of this concept is fully demonstrated for H2 system. It is expected that the nature of the electronic perturbation energy due to the change of nuclear configuration can be successfully understood by using this concept. Properties of the transition density is briefly discussed.

• Bulletin of the Korean Chemical Society
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• v.25 no.11
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• pp.1657-1660
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• 2004

Several critical geometries associated with the rearrangement of $CH_3SNO_2\;to\;CH_3SONO$ are calculated with the density functional theory (DFT) method and compared with those of the ab initio molecular orbital methods. There are two probable pathways for this rearrangement, one involving the transition state of an oxygen migration and the other through the homolytic decomposition to radicals. The reaction barrier via the transition state is about 60 kcal/mol and the decomposition energy into radicals about 35 kcal/mol, suggesting that the reaction pathway via the homolytic cleavage to radical species is energetically favorable. Since even the homolytic cleavage requires large energies, the rearrangement reaction is unlikely without the aid of catalysts.

• Bulletin of the Korean Chemical Society
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• v.15 no.2
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• pp.118-122
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• 1994

Molecular dynamics simulation was carried out to study density effects on vibrational dephasing. Because of difficulty due to large time scale difference between vibrational motion and vibrational relaxation, we adopt adiabatic approximation in which the vibrational motion is assumed to be much faster than translational and rotational motion. As a result, we are able to study vibrational dephasing by simulating motion of rigid molecules. It is shown that the dephasing time is decreased as density increases and the contribution to this result is mainly due to the mean-squared frequency fluctuation.

• Bulletin of the Korean Chemical Society
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• v.19 no.11
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• pp.1194-1198
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• 1998

The density and the viscosity of aqueous PEO solutions are observed with the several concentrations of PEO at 20 ℃. The effects of urea on them are also observed. The apparent and the partial specific volumes of PEO are calculated from the density data, which result that the polymer-polymer interaction is dominating in the binary aqueous PEO solutions, while the polymer-solvent interaction is dominating in the ternary aqueous urea-PEO solutions. It is explained by the urea induced breakage of the structured water originated from the hydrophobic interactions and the binding of the urea to the PEO chain. The concentration dependence of relative viscosity and the density dependence of fluidity is also discussed with the concept of the polymersolvent and the polymer-polymer interactions of aqueous urea-PEO solutions.