• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.428-429
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• 2011

Recently, we performed ab initio total energy calculation and tight-binding molecular dynamics (TBMD) simulation to study structures and the reconstruction of native defects in graphene. In the previous study, we predicted by TBMD simulation that a double vacancy in graphene is reconstructed into a 555-777 composed of triple pentagons and triple heptagons [1]. The structural change from pentagon-octagon-pentagon (5-8-5) to 555-777 has been confirmed by recent experiments [2,3] and the detail of the reconstruction process is carefully studied by ab initio calculation. Pentagon-heptagon (5-7) pairs are also found to play an important role in the reconstruction of vacancy in graphene and single wall carbon nanotube [4]. In the TBMD simulation of graphene nanoribbon (GNR), we found the evaporation of carbon atoms from both the zigzag and armchair edges is preceded by the formation of heptagon rings, which serve as a gateway for carbon atoms to escape. In the simulation for a GNR armchair-zigzag-armchair junction, carbon atoms are evaporated row-by-row from the outermost row of the zigzag edge [5], which is in excellent agreement with recent experiments [2, 6]. We also present the recent results on the formation and development of dislocation in graphene. It is found that the coalescence of 5-7 pairs with vacancy defects develops dislocation in graphene and induces the separation of two 5-7 pairs. Our TBMD simulations also show that adatoms are ejected and evaporated from graphene surface due to large strain around 5-7 pairs. It is observed that an adatom wanders on the graphene surface and helps non-hexagonal rings change into stable hexagonal rings before its evaporation.

• Steel and Composite Structures
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• v.23 no.6
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• pp.633-646
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• 2017

The compressive behavior of special-shaped concrete filled tube (CFT) mega column coupled with multiple cavities is studied by testing six columns subjected to cyclically uniaxial compressive load. The six columns include three pentagonal specimens and three hexagonal specimens. The influence of cavity construction, arrangement of reinforcement, concrete strength on failure feature, bearing capacity, stiffness, and residual deformation is examined. Experimental results show that cavity construction and reinforcements make it possible to form a combined confinement effect to in-filled concrete, and the two groups of special-shaped CFT columns show good elastic-plastic compressive behavior. As there is no axial bearing capacity calculation method currently available in any Code of practice for special-shaped CFT columns, values predicted by normal CFT column formulas in GB50936, CECS254, ACI-318, EC4, AISCI-LRFD, CECS159, and AIJ are compared with tested values. The calculated values are lower than the tested values for most columns, thus the predicted bearing capacity is safe. A reasonable calculation method by dividing concrete into active and inactive confined regions is proposed. And high accuracy shows in estimating special-shaped CFT columns either coupled with multiple cavities or not. In addition, a finite element method (FEM) analysis is conducted and the simulated results match the test well.

• Journal of Environmental Science International
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• v.27 no.7
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• pp.611-620
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• 2018

In this study, a metal-organic framework (MOF) material $NH_2$-MIL-101(Fe) was synthesized using the solvothermal method, and characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), UV-visible spectrophotometry, field-emission scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDS), transmission electron microscopy (TEM), and surface area measurements. The XRD pattern of the synthesized $NH_2$-MIL-101(Fe) was similar to the previously reported patterns of MIL-101 type materials, which indicated the successful synthesis of $NH_2$-MIL-101(Fe). The FT-IR spectrum showed the molecular structure and functional groups of the synthesized $NH_2$-MIL-101(Fe). The UV-visible absorbance spectrum indicated that the synthesized material could be activated as a photocatalyst under visible light irradiation. FE-SEM and TEM images showed the formation of hexagonal microspindle structures in the synthesized $NH_2$-MIL-101(Fe). Furthermore, the EDS spectrum indicated that the synthesized material consisted of Fe, N, O, and C elements. The synthesized $NH_2$-MIL-101(Fe) was then employed as an adsorbent and photocatalyst for the removal of Indigo carmine and Rhodamine B from aqueous solutions. The initial 30 min of adsorption for Indigo carmine and Rhodamine B without light irradiation achieved removal efficiencies of 83.6% and 70.7%, respectively. The removal efficiencies thereafter gradually increased with visible light irradiation for 180 min, and the overall removal efficiencies for Indigo carmine and Rhodamine B were 94.2% and 83.5%, respectively. These results indicate that the synthesized MOF material can be effectively applied as an adsorbent and photocatalyst for the removal of dyes.

• Steel and Composite Structures
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• v.25 no.3
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• pp.361-374
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• 2017

In this study, the influences of triaxial magnetic field on the wave propagation behavior of anisotropic nanoplates are studied. In order to include small scale effects, nonlocal strain gradient theory has been implemented. To study the nanoplate as a continuum model, the three-dimensional elasticity theory is adopted in Cartesian coordinate. In our study, all the elastic constants are considered and assumed to be the functions of (x, y, z), so all kind of anisotropic structures such as hexagonal and trigonal materials can be modeled, too. Moreover, all types of functionally graded structures can be investigated. eigenvalue method is employed and analytical solutions for the wave propagation are obtained. To justify our methodology, our results for the wave propagation of isotropic nanoplates are compared with the results available in the literature and great agreement is achieved. Five different types of anisotropic structures are investigated in present paper and then the influences of wave number, material properties, nonlocal and gradient parameter and uniaxial, biaxial and triaxial magnetic field on the wave propagation analysis of anisotropic nanoplates are presented. From the best knowledge of authors, it is the first time that three-dimensional elasticity theory and nonlocal strain gradient theory are used together with no approximation to derive the governing equations. Moreover, up to now, the effects of triaxial magnetic field have not been studied with considering size effects in nanoplates. According to the lack of any common approximations in the displacement field or in elastic constant, present theory has the potential to be used as a bench mark for future works.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.32 no.8
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• pp.82-90
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• 2004

The mechanical characteristics of three types of core with two-dimensional isotropic patterns-triangular, hexagonal and starcell-were studied in applications to sandwich structures. The Young's modulus and shear modulus were calculated for the three core types in the direction normal to the faces. The compressive buckling strength and shear buckling strength were calculated by modeling each cell wall of the core as a plate under compressive or shear load. To verify this model, tests were conducted on scaled specimens to measure the compressive buckling strength of each core. The bending flexibilites of the three cores were also studied. Compliances for the three cores were measured using biaxial flexural tests. The three isotropic core patterns exhibited distinct characteristics. In the direction normal to the faces, all three cores had the same stiffness. However, the starcell core exhibited high flexibility compared to the other cores, indicating potential for application to curved sandwich structures.

• Proceedings of the Korean Fiber Society Conference
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• 2002.04a
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• pp.384-387
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• 2002

In the resin transfer molding, there are many advantages such as high volume, high performance, and low cost, The permeability is essential in the design and operation of the process, Traditionally, the determination of permeability can be divided as three methods, which are experimental measurement, analytical, and numerical prediction using the Darcy's law. In this study, the permeability in the microscopic level is first computed on the square-packing and hexagonal packing structures of the filaments inside the yarn by using CVFEM. (omitted)

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 1995.11a
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• pp.71-73
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• 1995

In this work, we synthsized GaN powders by the direct reactions of Ga with NH$_3$at the temperature range of 950∼1150$^{\circ}C$ and we growth the GaN thin films on Si and sapphire substrates using the synthesized GaN powders by the vapor phase epitaxy method. The synthesized powder had hexagonal crystal structures with lattice constants of a$\sub$0/=3.1895${\AA}$, c$\sub$0/=5.18394${\AA}$. The reaction rates of GaN were increased with both reaction time and temperature, however it did not depends on the flow rates of NH$_3$. The island type GaN crystals were grown on (0001) sapphire substrates and fast lateral growth of GaN on (111) Si substrate than sapphire was observed in our experiments.

• Journal of Information Display
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• v.10 no.1
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• pp.24-27
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• 2009

A simple nonalkoxide sol-gel route for depositing an Al-doped ZnO thin film on a glass substrate was derived in this study. The initial Al dopant concentration in the sol-gel preparation varied and ranged from 0 to 5%. The sol-gel-derived thin films showed c-plane preferred crystallization of their hexagonal phase, with nanosized grain structures. First and second post-heat-treatments were carried out to improve the film’s electrical resistivity. The carrier density and the Hall mobility were measured and discussed to explain the electrical resistivity. The optical transmittance within the visible range showed compatible properties, which indicates the possible use of A1-doped ZnO as a transparent electrode in flat panel displays.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.16 no.12
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• pp.1103-1109
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• 2003

Crystalline carbon nitride films have been deposited by RF reactive magnetron sputtering system with negative DC bias. The carbon nitride films deposited on various substrates showed ${\alpha}$- C$_3$N$_4$,${\beta}$-C$_3$N$_4$ and lonsdaleite structures through XRD and FTIR We can find the grain growth of hexagonal structure from SEMI photographs, which is coincident with the theoretical carbon nitride unit cell. When nitrogen gas ratio is 70 % and RF power is 200 W, the growth rate of carbon nitride film on quartz substrate is about 2.1 $\mu\textrm{m}$/hr.

• Transactions on Electrical and Electronic Materials
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• v.11 no.5
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• pp.230-233
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• 2010

The authors investigated the anodization mechanism of aluminum in an oxalic acid solution, and the electrochemical reaction is very unique for pore formation via the dissolution process, which is very dependent on the surface geometry in nanoporous alumina templates. The cross-sectional nanochannels showed that the geometrical curvature of the initial surface can cause the branching of nanochannels to be adjusted in volume occupancy to be direct to the electric field normal to the surface. The nanoporous alumina with the crystalline $\gamma-Al_2O_3$ phase showed hexagonal ordering at a voltage of 40 V, with a nanohole distance of 102 nm from the charge density oscillation of the oxalic acid solution.