• Bulletin of the Korean Chemical Society
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• v.26 no.1
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• pp.19-31
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• 2005

During the last decade, the exploration of nanoscale device and circuitry based on molecules has gained increasing interest. In parallel with this, considerable effort is being devoted to the development of molecular photonic/electronic materials based on various porphyrin arrays. This involves light as an input/output signal and excitation energy migration as a mechanism for signal transmission. Absorption of a photon at the light collector end of the porphyrin array yields the excited state, which migrates among the intervening pigments until reaching the emitter, whereupon another photon is emitted. As a consequence, it is relevant to understand the excitation energy transfer (EET) processes occurring in various forms of porphyrin arrays for the applications as artificial light harvesting arrays and molecular photonic/electronic wires. Since the excitonic (dipole) and electronic (conjugation) couplings between the adjacent porphyrin moieties in porphyrin arrays govern the EET processes, we have characterized the EET rates of various forms of multiporphyrin arrays (linear, cyclic, and box) based on various time-resolved spectroscopic measurements. We believe that our observations provide a platform for further development of molecular photonic/electronic materials based on porphyrin arrays.

• Wind and Structures
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• v.6 no.1
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• pp.23-40
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• 2003

The steady state response of a torsionally coupled system with tuned mass dampers (TMDs) to external wind-induced harmonic excitation is presented. The torsionally coupled system is considered as one-way eccentric system. The eccentricity considered in the system is accidental eccentricity only. The performance of single tuned mass damper (TMD) optimally designed without considering the torsion is investigated for the torsionally coupled system and found that the effectiveness of a single TMD is significantly reduced due to torsion in the system. However, the design of TMD system without considering the torsion is only justified for torsionally stiff systems. Further, the optimum parameters of a single TMD considering the accidental eccentricity are obtained using numerical searching technique for different values of uncoupled torsional to lateral frequency ratio and aspect ratio of the system. The optimally designed single TMD system is found to be less effective for torsionally coupled system in comparison to uncoupled system. This is due to the fact that a torsionally coupled system has two natural frequencies of vibration, as a result, at least two TMDs are required which can control both lateral and torsional response of the system. The optimum damper parameters of different alternate arrangements such as (i) two identical TMDs placed at opposite corners, (ii) two independent TMDs and (iii) four TMDs are evaluated for minimum response of the system. The comparative performance of the above TMDs arrangements is also studied for both torsionally coupled and uncoupled systems. It is found that four TMDs arrangement is quite effective solution for vibration control of torsionally coupled system.

• Interaction and multiscale mechanics
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• v.6 no.2
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• pp.173-195
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• 2013

Meshfree methods are known to have the capability to overcome the strict regularization requirements and numerical instabilities that encumber the finite element method (FEM) in large deformation problems. They are also more naturally suited for problems involving material perforation and fragmentation. To take advantage of the high efficiency of FEM and high accuracy of meshfree methods, a coupled finite element (FE) and reproducing kernel (RK, one of the meshfree approximations) formulation is described in this paper. The coupling of FE and RK approximation is implemented in an evolutionary fashion, where the extent and location of the evolution is dependent on a triggering criteria provided by the material constitutive laws. To enhance computational efficiency, Gauss quadrature is applied to integrate both FE and RK domains so that no state variable transfer is required when mesh conversion is performed. To control the hourglassing that might occur with 1-point integrated hexahedral grids, viscous type hourglass control is implemented. Meanwhile, the FEM version of the K&C concrete (KCC) model was modified to make it applicable in both FE and RK formulations. Results using this code and the KCC model are shown for the modeling of concrete responses under quasi-static, blast and impact loadings. These analyses demonstrate that fragmentation phenomena of the sort commonly observed under blast and impact loadings of concrete structures was able to be realistically captured by the coupled formulation.

• Bulletin of the Korean Chemical Society
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• v.28 no.11
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• pp.2069-2074
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• 2007

The 27Al multiple quantum magic angle spinning (MQMAS) nuclear magnetic resonance (NMR) spectra of mordenite zeolites were simulated using the point charge model (PCM). The spectra simulated by the PCM considering nearest neighbor atoms only (PCM-n) or including atoms up to the 3rd layer (PCM-m) were not different from those generated by the Hartree-Fock (HF) molecular orbital calculation method. In contrast to the HF and density functional theory methods, the PCM method is simple and convenient to use and does not require sophisticated and expensive computer programs along with specialists to run them. Thus, our results indicate that the spectral simulation of the 27Al MQMAS NMR spectra obtained with the PCM-n is useful, despite its simplicity, especially for porous samples like zeolites with large unit cells and a high volume density of pores. However, it should be pointed out that this conclusion might apply only for the atomic sites with small quadrupole coupling constants.

• Proceedings of the Materials Research Society of Korea Conference
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• 2009.05a
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• pp.33.2-33.2
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• 2009

Dielectric and piezoelectric properties of Lead-free $(1-x)(Bi_{0.5}K_{0.5})TiO_3-xBiFeO_3$ceramics prepared by a conventional solid state reaction method were investigated in the range of x = 0~10 mol%. Piezoelectric coefficient was increased from 31 pC/N at x = 0 mol% to 64 pC/N at x = 6 mol% then decreased with increasing x. Electromechanical coupling factor ($K_p$) was increased up to 0.18 at x = 10 mol%. On the other hand, mechanical quality factor ($Q_m$) was decreased. Grain size was not much changed with various x and a single perovskite with tetragonal symmetry was maintained at all compositions forming a solid solution between $(Bi_{0.5}K_{0.5})TiO_3$ and $BiFeO_3$. Depolarization temperature ($T_d$) was gradually decreased with increasing x from $302^{\circ}C$ at x = 0 to $245^{\circ}C$ at x = 10 mol%.

• Proceedings of the Materials Research Society of Korea Conference
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• 2009.05a
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• pp.33.1-33.1
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• 2009

Lead-free (1-x)$(Na_{0.5}K_{0.5})NbO_3$-xBa($Ti_{0.9}Sn_{0.1})O_3$ [NKN-BTS-100x] ceramics doped with 1 mol% $MnO_2$ have been prepared by the conventional solid state method and their structural and piezoelectric properties were investigated. The NKN-BTS-100x ceramics exhibited a dense and homogeneous microstructure when they were sintered at $1030-1150^{\circ}C$. Grain growth was observed for the specimen sintered at relatively low temperature of $1050^{\circ}C$. A tetragonal/orthorhombic morphotropic phase boundary (MPB) in the perovskite structure was also appeared for the NKN-BTS-100x ceramics (0.04$1050^{\circ}C$. The enhanced piezoelectric properties in the NKN-BTS ceramics with a MPB composition were obtained. Especially, for the NKN-BTS-6 ceramics, a high dielectric constant (${\varepsilon}^T_3/\varepsilon_0=1,400$), piezoelectric constant ($d_{33}=237$) and electromechanical coupling factor ($k_p=0.42$) were obtained.

• Journal of the Mineralogical Society of Korea
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• v.23 no.2
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• pp.161-170
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• 2010

Many microbes, including both bacteria and fungi, produce manganese (Mn) oxides by oxidizing soluble Mn(II) to form insoluble Mn(IV) oxide minerals, a kinetically much faster process than abiotic oxidation. These biogenic Mn oxides drive the Mn cycle, coupling it with diverse biogeochemical cycles and determining the bioavailability of environmental contaminants, mainly through strong adsorption and redox reactions. This mini review introduces recent findings based on quantum mechanical density functional theory that reveal the detailed mechanisms of toxic metal adsorption at Mn oxide surfaces and the remarkable role of Mn vacancies in the photochemistry of these minerals.

• The Transactions of the Korean Institute of Electrical Engineers B
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• v.51 no.2
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• pp.61-68
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• 2002

In order to design the Linear DC Motor (LDM) with improved characteristics, transient and steady state analysis are required. furthermore, 3D analysis is also needed to analyze the precise characteristics like thrust, time harmonics. This paper deals with the transient and dynamic characteristic analysis of LDM by coupling of external circuit and motion equation using 3D Equivalent Magnetic Circuit Network Method (EMCN). For the three dimensional analysis of electric machine, EMCN is very effective method that ensures high accuracy similar to FEM and short computation time. Also, The modeling by EMCN easily allows the mover to move with respect to the stater at each time step, and the spatial moving step is determined by the solution of the mechanical motion equation and the computed electromagnetic thrust The results are compared with experimental ones to clarify the usefulness and verify the accuracy of the Proposed method.

• Journal of the Korean Ceramic Society
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• v.28 no.8
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• pp.603-610
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• 1991

An oxygen deficient perovskite (CaLa)(MgMn)O5.43, with the cubic unit cell parameter of 3.826$\AA$, was prepared 115$0^{\circ}C$ for 10 hrs under the ambient oxygen gas pressure. The average oxidation state of manganese was determined to be 3.86 by the iodometric titration, so that the perovskite could be formulated as (CaLa) ({{{{ { MgMn}`_{ chi } ^{II } }}{{{{ { Mn}`_{ y} ^{III } }}{{{{ { Mn}`_{1- chi -y } ^{IV } }})O5.43 (2x+y=0.14). From X-ray photoelectron spectroscopy, the manganese ions in the lattice are mostly tetravalent, but two paramagnetic configurations were observed in the EPR spectrum: One sharp isotropic signal with hyperfines (ΔH 50 G, g=1.997$\pm$0.002 and │A│=82(4)$\times$10-4 cm-1) and a broad isotropic one (ΔH 1600 G, g=1.994$\pm$0.002), those which correspond respectively to Mn(II) and Mn(IV) ions. According to the magnetic susceptibility measurement, it follows the Curie-Weiss law from 20 K up to room temperature with $\mu$eff=5.23 $\mu$B, which is relatively larger than spin-only value({{{{ { mu }`_{eff} ^{s.o } }}=4.04 $\mu$B) due to the effect of weak ferromagnetic coupling. Such a result is in accord with a theory of semicovalence exchange.

• Coupled systems mechanics
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• v.3 no.2
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• pp.195-211
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• 2014

When strong seismic forces act on reinforced concrete structures, their beam-column connections are very susceptible to damage during the earthquake event. The aim of this numerical work is to evaluate the influence of the internal steel reinforcement array on the nonlinear response of a RC beam-column connection when it is subjected to strong cyclic loading -as a seismic load. For this, two specimens (extracted from an experimental test of 12 RC beam-column connections reported in literature) were modeled in the Finite Element code FEAP considering different stirrup's arrays. In order to evaluate the nonlinear response of the RC beam-column connection, the 2D model takes into account the nonlinear thermodynamic behavior of each component: for concrete, a damage model is used; for steel reinforcement, it is adopted a classical plasticity model; in the case of the steel-concrete bonding, this one is considered perfect without degradation. At the end, we show a comparison between the experimental test's responses and the numerical results, which includes the distribution of shear stresses and damage inside the concrete core of the beam-column connection; in the other hand, the effects on the connection of a low and high state of confinement are analyzed for all cases.