• Carbon letters
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• v.5 no.1
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• pp.12-17
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• 2004

In this study, the oxyfluorination of PAN-based carbon fibers was undertaken at room temperature using fluorine-oxygen mixtures, and the influence of oxyfluorination on properties was investigated. The surface characteristics of the modified fiber were determined by using X-ray photoelectron spectroscopy (XPS) and dynamic contact angle analyzer. The oxyfluorination of carbon fibers was one of the more effective methods to increase surface wettability by the formation of semicovalent C-F bond and C-O bond depending on reaction conditions. When oxygen mole fraction is increased from 0.5 to 0.9, it is probable that attached fluorine atoms at the surface of the fibers reacted with other components. As increased oxyfluorination time and decreased its pressures, semi-covalent peak is increased at 0.5 of oxygen mole fraction. The total surface free energy of oxyfluorinated carbon fibers decreased with increasing oxygen mole fraction over 0.5. These results indicate that the surface of carbon fibers became much more hydrophilic after the short oxyfluorination. The surface free energy of oxyfluorinated carbon fibers progressively decreased after 10 min treatment. The polar components of surface free energies were however, significantly higher for all oxyfluorinated samples than that for the untreated carbon fiber.

• Proceedings of the Korean Vacuum Society Conference
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• 2000.02a
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• pp.25-25
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• 2000

In this talk we discuss the dynamics of hydrogen on the Si(100)-2xl surface. At room temperature the sticking coefficient for molecular hydrogen on this surface is less than 10sup-12. However, hydrogen molecules desorbing from the surface do not have an excess of energy, suggesting at best a small barrier on the exit channel. These observations have led to speculation about the validity of detailed balance in this system. Here we show that this discrepancy can be explained by considering both the surface-molecule co-ordinate and that associated with the Si-Si dimer bond tiltangle. By preparing the surface dimers with a specific tiltangle we demonstrate that the barrier to adsorption is a function of this angle and that the sticking coefficient dramatically increase for certain angles. The adsorption-desopption dynamics can then be described in terms of a common potential energy hypersurface involving both of these co-ordinates. The implications of these observations are also discussed. The dynamics of adsorbed hydrogen atoms on the Si(100) surface is also described. Paired dangling bonds produced following recombinative hydrogen desorption are mobile at elevated temperatures. Pairs of dangling bonds are observed to dissociate, diffuse, and ultimately recombine. At sufficiently elevated temperatures dangling bond exchange reactions are observed. These data are analyzed in terms of an attractive zone and an effective binding interaction between dangling bonds. Insights that this provides into the nature of surface defects and the localized chemistry that occurs on this surface, are also discussed.

• Bulletin of the Korean Chemical Society
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• v.17 no.8
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• pp.735-744
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• 1996

We present results of molecular dynamic (MD) simulations for the thermodynamic and structural properties of liquid n-alkanes, from n-butane to n-heptadecane, using three different models Ⅰ-Ⅲ. Two of the three classes of models are collapsed atomic models while the third class is an atomistically detailed model. Model Ⅰ is the original Ryckaert and Bellemans' collapsed atomic model [Discuss. Faraday Soc. 1978, 66, 95] and model Ⅱ is the expanded collapsed model which includes C-C bond stretching and C-C-C bond angle bending potentials in addition to Lennard-Jones and torsional potentials of model Ⅰ. In model Ⅲ all the carbon and hydrogen atoms in the monomeric units are represented explicitly for the alkane molecules. Excellent agreement of the results of our MD simulations of model Ⅰ for n-butane with those of Edberg et al.[J. Chem. Phys. 1986, 84, 6933], who used a different algorithm confirms the validity of our algorithms for MD simulations of model Ⅱ for 14 liquid n-alkanes and of models Ⅰ and Ⅲ for liquid n-butane, n-decane, and n-heptadecane. The thermodynamic and structural properties of models Ⅰ and Ⅱ are very similar to each other and the thermodynamic properties of model Ⅲ for the three n-alkanes are not much different from those of models Ⅰ and Ⅱ. However, the structural properties of model Ⅲ are very different from those of models Ⅰ and Ⅱ as observed by comparing the radial distribution functions, the average end-to-end distances and the root-mean-squared radii of gyrations.

• Bulletin of the Korean Chemical Society
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• v.19 no.4
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• pp.422-428
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• 1998

In the present paper, we report a molecular dynamics (MD) simulation of non-rigid zeolite-A framework only as the base case for a consistent study of the role of intraframework interaction on several zeolite-A systems using the same technique in our previous studies of rigid zeolite-A frameworks. Usual bond stretching, bond angle bending, torsional rotational, and non-bonded Lennard-Jones and electrostatic interactions are considered as intraframework interaction potentials. The comparison of experimental and calculated structural parameters confirms the validity of our MD simulation for zeolite-A framework. The radial distribution functions of non-rigid zeolite-A framework atoms characterize the vibrational motion of the framework atoms. Mean square displacements are all periodic with a short period of 0.08 ps and a slow change in the amplitude of the vibration with a long period of 0.53 ps. The displacement auto-correlation (DAC) and neighbor-correlation (DNC) functions describe the up-and-down motion of the framework atoms from the center of α-cage and the back-and-forth motion on each ring window from the center of each window. The DAC and DNC functions of the framework atoms from the center of α-cage at the 8-ring windows have the same period of the up-and-down motion, but those functions from the center of 8-ring window at the 8-ring windows are of different periods of the back-and-forth motion.

• The Journal of Advanced Prosthodontics
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• v.7 no.2
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• pp.85-92
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• 2015

PURPOSE. This study aimed to investigate the efficacy of cleaning solutions on saliva-contaminated zirconia in comparison to air-abrasion in terms of resin bonding. MATERIALS AND METHODS. For saliva-contaminated air-abraded zirconia, seven cleaning methods)-no contamination (NC), water-spray rinsing (WS), additional air-abrasion (AA), and cleaning with four solutions (Ivoclean [IC]; 1.0 wt% sodium dodecyl sulfate [SDS], 1.0 wt% hydrogen peroxide [HP], and 1.0 wt% sodium hypochlorite [SHC])-were tested. The zirconia surfaces for each group were characterized using various analytical techniques. Three bonded resin (Panavia F 2.0) cylinders (bonding area: $4.5mm^2$) were made on one zirconia disk specimen using the Ultradent jig method [four disks (12 cylinders)/group; a total of 28 disks]. After 5,000 thermocycling, all specimens were subjected to a shear bond strength test with a crosshead speed of 1.0 mm/minute. The fractured surfaces were observed using an optical and scanning electron microscope (SEM). RESULTS. Contact angle measurements showed that groups NC, AA, IC, and SHC had hydrophilic surfaces. The X-ray photoelectron spectroscopy (XPS) analysis showed similar elemental distributions between group AA and groups IC and SHC. Groups IC and SHC showed statistically similar bond strengths to groups NC and AA (P>.05), but not groups SDS and HP (P<.05). For groups WS, SDS, and HP, blister-like bubble formations were observed on the surfaces under SEM. CONCLUSION. Within the limitations of this in vitro study, some of the cleaning solutions (IC or SHC) were effective in removing saliva contamination and enhancing the resin bond strength.

• Journal of the Korea Concrete Institute
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• v.25 no.1
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• pp.53-61
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• 2013

A new deformation of reinforcing bar in coils was proposed to improve a machinability of straightening process, which has crescent-shaped transverse ribs with an inclination angle of 50 degrees, a crest width of $0.15d_b$, and a flank inclination of 55 degrees. The proposed deformation can increase contact area between a surface of re-bar and a groove of a roller during a straightening process and, therefore, it might reduce a damage of ribs, improve a final straightness, and enhance an efficiency of the straightening process. Splice tests were conducted to evaluate bond strengths of three types of re-bar in coils including the proposed re-bar, of which the inclination angles of transverse ribs were 50, 60, and 90 degrees, respectively. Test results show that the re-bars in coils have higher bond strengths than predicted strengths by equations of Orangun et al., ACI 408, and KCI by at least 10%. Correlation coefficients of bond strengths between a straight bar and re-bars in coils are 0.94 and more. Consequently, equations of the KCI code for determining development and splice lengths can be applied to the tested re-bars in coils.

• Proceedings of the Korean Vacuum Society Conference
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• 1999.07a
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• pp.202-202
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• 1999

The Polyethylene (PE), Polystyrene (PS) and Polytetrafluoroethylene (PTFE) surface modification was investigated by hydrogen io assisted reaction (H-IAR) in oxygen environment. The IAR is a kind of surface modification techniques using ion beam irradiation in reactive gas environment. The energy of hydrogen ion beam was fixed at 1keV, io dose was varied from 5$\times$1014 to 1$\times$1017 ions/$\textrm{cm}^2$, and amount of oxygen blowing gas was fixed 4ml/min. Wettability was measured by water contact angles measurement, and the surface functionality was analyzed by x-ray photoelectron spectroscopy. The contact angle of water on PE modified by argon ion beam only decrease from 95$^{\circ}$ to 52$^{\circ}$, and surface energy was not changed significantly. But, the contact angle using hydrogen ion beam with flowing 4ml/min oxygen stiffly decreased to 8$^{\circ}$ and surface energy to 65 ergs/cm. In case of PS, the contact angle and surface energy changes were similar results of PE, but the contact angle of PTEE samples decreased with ion dose up to 1$\times$1015 ions/$\textrm{cm}^2$, increased at higher dose, and finally increased to the extent that no wetting was appeared at 1$\times$1017 ions/$\textrm{cm}^2$. These results must be due to the hydrogen ion beam that cleans the surface removing the impurities on polymer surfaces, then hydrogen ion beam was activated with C-H bonding to make some functional groups in order to react with the oxygen gases. Finally, unstable polymer surface can be changed from hydrophobic to hydrophilic formation such as C-O and C=O that were confirmed by the XPS analysis, conclusionally, the ion assisted reaction is very effective tools to attach reactive ion species to form functional groups on C-C bond chains of PE, PS and PTFE.

• The Journal of Korean Academy of Prosthodontics
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• v.46 no.5
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• pp.535-543
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• 2008

Purpose: The objective of this study was to compare the bonding characteristics of a new self-adhesive resin cement to dentin, which does not require bonding and conditioning procedure of the tooth surface, and conventional resin cement. The effect of phosphoric acid etching prior to application of self-adhesive resin cement on the shear bond strength was also evaluated. Material and methods: Fortyfive non-carious human adult molars extracted within 6 months were embedded in chemically cured acrylic resin. The teeth were ground with a series of SiC-papers ending with 800 grit until the flat dentin surfaces of the teeth were exposed. The teeth were randomly divided into 3 experimental groups. In group 1, self-adhesive resin cement, RelyX Unicem (3M ESPE, Seefeld, Germany) was bonded without any conditioning of teeth. In group 2, RelyX Unicem was bonded to teeth after phosphoric acid etching. For group 3, Syntac Primer (Ivoclar Vivadent AG, Schaan, Liechtenstein) was applied to the teeth before Syntac adhesive (Ivoclar Vivadent AG, Schaan, Liechtenstein) and Helibond (Ivoclar Vivadent AG, Schaan, Liechtenstein) followed by conventional resin cement, Variolink II (Ivoclar Vivadent AG, Schaan, Liechtenstein). To make a shear bond strength test model, a plastic tuble (3 mm diameter, 3 mm height) was applied to the dentin surfaces at a right angle and filled it with respective resin cement, and light-polymerized for 40 seconds. All the specimens were stored in distilled water at $37^{\circ}C$ for 24 hours before test. Universal Testing Machine (Z020, Zwick, Ulm, Germany) at a cross head speed of 1 mm/min was used to evaluate the shear bond strength. The failure sites were inspected under a magnifier and Scanning Electron Microscope. The data was analyzed with One way ANOVA and Scheffe test at ${\alpha}$= 0.05. Results: (1) The shear bond strengths to dentin of RelyX Unicem was not significantly different from those of Variolink II/Syntac. (2) Phosphoric acid etching lowered the shear bond strength of RelyX Unicem significantly. (3) Most of RelyX Unicem and Variolink II showed mixed fractures, while all the specimens of RelyX Unicem with phosphoric acid etching demonstrated adhesive failure between dentin and resin cement. Conclusion: Shear bond strength to dentin of self-adhesive resin cement is not significantly different from conventional resin cement, and phosphoric acid etching decrease the shear bond strength to dentin of self-adhesive resin cement.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.24 no.6
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• pp.637-643
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• 2011

The bond-based peridynamic model is able to capture many of the essential characteristics of dynamic brittle fracture observed in experiments: crack branching, crack-path instability, asymmetries of crack paths, successive branching, secondary cracking at right angles from existing crack surfaces, etc. In this paper we investigate the influence of the stress waves on the crack branching angle and the velocity profile. We observe that crack branching in peridynamics evolves as the phenomenology proposed by the experimental evidence: when a crack reaches a critical stage(macroscopically identified by its stress intensity factor) it splits into two or more branches, each propagating with the same speed as the parent crack, but with a much reduced process zone.

• Journal of the Korean Society for Nondestructive Testing
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• v.36 no.4
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• pp.259-265
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• 2016

This paper presents a study on the use of pulsed phase thermography in the measurement of thermal barrier coating thickness with a numerical simulation. A multilayer heat transfer model was ussed to analyze the surface temperature response acquired from one-sided pulsed thermal imaging. The test sample comprised four layers: the metal substrate, bond coat, thermally grown oxide and the top coat. The finite element software, ANSYS, was used to model and predict the temperature distribution in the test sample under an imposed heat flux on the exterior of the TBC. The phase image was computed with the use of the software MATLAB and Thermofit Pro using a Fourier transform. The relationship between the coating thickness and the corresponding phase angle was then established with the coating thickness being expressed as a function of the phase angle. The method is successfully applied to measure the coating thickness that varied from 0.25 mm to 1.5 mm.