• Bulletin of the Korean Chemical Society
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• 제30권12호
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• pp.2973-2978
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• 2009

The decomposition reaction mechanism of $CH_3CF_2O$ radical formed from hydroflurocarbon, $CH_3CHF_2$ (HFC-152a) in the atmosphere has been investigated using ab-initio quantum mechanical methods. The geometries of the reactant, products and transition states involved in the decomposition pathways have been optimized and characterized at DFT-B3LYP and MP2 levels of theories using 6-311++G(d,p) basis set. Calculations have been carried out to observe the effect of basis sets on the optimized geometries of species involved. Single point energy calculations have been performed at QCISD(T) and CCSD(T) level of theories. Out of the two prominent decomposition channels considered viz., C-C bond scission and F-elimination, C-C bond scission is found to be the dominant path involving a barrier height of 12.3 kcal/mol whereas the F-elimination path involves that of a 28.0 kcal/mol. Using transition-state theory, rate constant for the most dominant decomposition pathway viz., C-C bond scission is calculated at 298 K and found to be 1.3 ${\times}$ 10$^4s{-1}$. Transition states are searched on the potential energy surfaces involving both decomposition channels and each of the transition states are characterized. The existence of transition states on the corresponding potential energy surface are ascertained by performing Intrinsic Reaction Coordinate (IRC) calculation.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2009년도 추계학술대회 논문집
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• pp.185-185
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• 2009

The aligned liquid crystals (LCs) display on SiNx thin films using ion-beam (IB) irradiation was studied with controllability ofpretilt angle depending on incident energies of the IB. Plasma-enhanced chemical vapor deposition (PECVD) was used to orient the LCs on SiNx alignment films. The LCs alignment property for the SiNx thin films were observed to verify the practical application potential (figure1). A good LCs alignment of vertical alignment LCs cells on SiNx thin film surfaces irradiated with incident IB energy of 1800eV was achieved. Also, a good LC alignment by the IB irradiation on the SiNx thin film surface was observed at an annealing temperature of $180^{\circ}C$. However, the alignment defects of the nematic liquid crystal was observed at an annealing temperature above $230^{\circ}C$. The atomic force microscopy (AFM) images of LCs on SiNx thin film surfaces irradiated with IB energy was used for the surface analysis.

• Transactions on Electrical and Electronic Materials
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• 제6권4호
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• pp.135-139
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• 2005

In this paper, negative SU-8 photoresist processed at low temperature is characterized in terms of delamination. Based on a $3^3$ factorial designed experiment, 27 samples are fabricated, and the degree of delamination is measured for each. In addition, nine samples are fabricated for the purpose of verification. Employing the. neural network modeling technique, a process model is established, and response surfaces are generated to investigate degree of delamination associated with three process parameters: post exposure bake (PEB) temperature, PEB time, and exposure energy. From the response surfaces generated, two significant parameters associated with delamination are identified, and their effects on delamination are analyzed. Higher PEB temperature at a fixed PEB time results in a greater degree of delamination. In addition, a higher dose of exposure energy lowers the temperature at which the delamination begins and also results in a larger degree of delamination. These results identify acceptable ranges of the three process variables to avoid delamination of SU-8 film, which in turn might lead to potential defects in MEMS device fabrication.

• Nuclear Engineering and Technology
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• 제41권3호
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• pp.335-346
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• 2009

This paper deals with a hydroelastic vibration analysis of two rectangular plates partially coupled with a liquid, which is bounded by two plates and two rigid side walls. The wet displacement of each plate is assumed to be a combination of the modal functions of a dry uniform beam with a clamped boundary condition. As the liquid is assumed to be an ideal liquid, the displacement potential satisfying the Laplace equation is determined so that the liquid boundary conditions can meet the requirements at the rigid surfaces and the free liquid surface. The wet dynamic modal functions of each plate are expanded by using the finite Fourier transform to obtain an appropriate form of the compatibility requirement along the contacting surfaces between the plates and the liquid. The liquid-coupled natural frequencies of the plates are derived by using the Rayleigh-Ritz method. Finite element analyses using commercial software are carried out to verify the proposed theory. It is observed that the theoretical method agrees excellently with the three-dimensional finite element analyses results. The effects of the liquid depth and the liquid thickness on the normalized natural frequencies are investigated to identify the dynamic characteristics of the liquid coupled system.

• 한국태양에너지학회 논문집
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• 제34권5호
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• pp.11-22
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• 2014

It is usual to determine silver-town location by people's experienced knowledge or intuition considering many different type of thematic variables simultaneously. This paper is primarily intended to locate sunny silver-town according to catchment-wide solar radiation as single key variable. GIS based solar simulation realistically identified catchment-wide solar radiation in the study area using large scale spatial precision. More than 90% over the worst catchment were identified shadow surfaces while the optimal catchment was heavily covered by sunny radiation surfaces. It is confirmed that standard GIS technology can offers the viable method of measuring and comparing the catchment-wide solar radiation. Guidelines for a replicable methodology are presented to provide a strong theoretical basis for the standardization of factors involved in locating the sunny silver-town; delineation of catchment boundary, solar simulation, catchment-wide comparison etc. They could be used as an evidence to determine sunny catchment in comparison with other catchment, based solar simulation. It is anticipated that this research output could be used as a valuable reference to confirm the potential of introducing the new concept of "catchment specific solar radiation" to support more scientific and objective decision-making in the process of locating silver town.

• 에너지공학
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• 제20권3호
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• pp.252-258
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• 2011

Nickel fiber mat was investigated as a potential structured catalyst for steam reforming of biogas in the temperature range of $600-700^{\circ}C$. The activity of as-received catalyst was very low owing to the smooth surface of fibers. Pretreatment of the catalyst by oxidation followed by reduction under methane partial oxidation condition significantly improved the catalytic activity, although degradation of the activity was found during the reaction due to oxidation and sintering. This deactivation was retarded by supplying additional hydrogen in the inlet gases or by coating $CeO_2$ over the catalyst surfaces.

• 한국진공학회지
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• 제4권S2호
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• pp.139-147
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• 1995

The mechanism of the ionized cluster beam deposition has been studied using Molecular Dynamics Simulation. The Embedded Atom Method(EAM) potential were used in the simulation. The impact of a Au95-cluster on Au(100) substrate was studied for the impact energies 0.15-10eV/atom. The dependency of the impact energy of cluster beam was observed. For the cluster energy impact of 10eV per atom, the defects on surface were created and the cluster embedded into substrate as an amorphous state. For the energy of 0.5eV per atom, the defect free homoepitaxial growth was observed and atomic scale nucleation was formated, which are in good agreement with experiment. Thus molecular dynamics simulation is very useful to study the mechanism of the ionized cluster beam deposition.

• Bulletin of the Korean Chemical Society
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• 제29권3호
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• pp.627-640
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• 2008

The geometrical structures, atomic charges, and relative energies of tetracoordinated Pd complexes [PdCl3Z (Z = Cl-, Br-, OH?-, H2O, NH3, PH3), PdCl2Z2 (Z = Br-, OH?-, H2O, NH3, PH3), PdZ?2X (Z = Cl-, OH?-, H2O, NH3, PH3; X = oxalate, O2-?CCO2-), and PdZ2Y (Z = Cl?-, OH?-, H2O, NH3, PH3; Y = succinate, CO2-?CHCHCO2-?)] and the ligand exchange reactions of the Pd complexes were investigated using the ab initio second order Mller-Plesset perturbation (MP2) and Density Functional Theory (DFT) methods. The geometrical characteristics of the tetracoordinated Pd(II) complexes with mono- and bidentate ligands, the effects of the atomic charges for the charged and uncharged ligands, the (dz2-p ) interactions between the dz2-orbital of Pd(II) and the p -orbital of bidentates, and the relative stabilities between the isomers of PdCl2Z2 and PdZ2Y were investigated in detail. The potential energy surfaces for the ligand exchange reactions used for the conversions of {[PdCl2(NH3)2] + H2O} to {[PdCl(NH3)2(H2O)]+ + Cl?-?} and {[PdCl2(PH3)2] + H2O} to {[PdCl(PH3)2(H2O)]+ + Cl?-?]} were investigated. The geometrical structure variations, molecular orbital variations (HOMO and LUMO), and relative stabilities for the ligand exchange processes were also examined quantitatively.

• 대한의용생체공학회:의공학회지
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• 제40권1호
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• pp.1-6
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• 2019

Human mesenchymal stem cells (hMSC) are multipotent stromal cells that have great potential to differentiate into a variety of cell types such as osteocytes, chondrocytes, and myocytes. Although there have been many studies on their clinical availability, little is known about how intracellular signals can be modulated by topographic features of the extracellular matrix (ECM). In this study, we investigated whether and how microwavy-patterned extracellular matrix (ECM) could affect the signaling activity of focal adhesion kinase (FAK), a key cellular adhesion protein. The fluorescence resonance energy transfer (FRET)-based FAK biosensor-transfected cells are incubated on microwavy-patterned surfaces and then platelet derived growth factor (PDGF) are treated to trigger FAK signals, followed by monitoring through live-cell FRET imaging in real time. As a result, we report that PDGF-induced FAK was highly activated in cells cultured on microwavy-patterned surface with L or M type, while inhibited by H type-patterned surface. In further studies, PDGF-induced FAK signals are regulated by functional support of actin filaments, microtubules, myosin-related proteins, suggesting that PDGF-induced FAK signals in hMSC upon microwavy surfaces are dependent on cytoskeleton (CSK)-actomyosin networks. Thus, our findings not only provide new insight on molecular mechanisms on how FAK signals can be regulated by distinct topographical cues of the ECM, but also may offer advantages in potential applications for regenerative medicine and tissue engineering.

• Korean Chemical Engineering Research
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• 제52권4호
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• pp.538-543
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• 2014

이산화지르코늄 표면에 흡착되는 금 입자의 분포 또는 그 반대 경우의 분포에 영향을 끼칠 수도 있는 정전기적 상호작용과 금 입자를 코팅한 Glutathione층의 표면물성을 규명하였다. 이를 위하여, 원자힘현미경(AFM)으로 Glutathione 층 표면과 이산화지르코늄표면 사이의 표면힘을 염 농도와 pH 값에 따라 측정하였다. 측정된 힘은 Derjaguin-Landau-Verwey-Overbeek(DLVO) 이론으로 해석되어 표면의 전하밀도와 포텐셜들이 정량적으로 산출되었다. 이 특성들이 염 농도와 pH에 대하여 나타내는 의존성을 질량보존의 법칙으로 기술하였다. pH 8 조건에서 실험으로 산출된 표면 특성의 염 농도 의존성은 이론적으로 예측했던 결과와 일치하는 것으로 관찰되었다. Glutathione 층의 표면이 이산화지르코늄 표면보다 높은 전하밀도와 포텐셜을 갖는 것이 발견되었는데, 이는 Glutathione 층의 이온화-기능-그룹에 기인한 것으로 생각된다.