• Bulletin of the Korean Chemical Society
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• 제31권8호
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• pp.2247-2254
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• 2010

The surface structures of copper phthalocyanine (CuPc) thin films deposited on sulphur-passivated and plane perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA)-covered InAs(100) surfaces have been studied by low energy electron diffraction (LEED) and van der Waals (vdW) intermolecular interaction energy calculations. The annealing to $300^{\circ}C$ and $450^{\circ}C$ of $(NH_4)_2S_x$-treated InAs(100) substrates produces a ($1{\times}1$) and ($2{\times}1$) S-passivated surface respectively. The CuPc deposition onto the PTCDA-covered InAs(100) surface leads to a ring-like diffraction pattern, indicating that the 2D ordered overlayer exists and the structure is dominantly determined by the intermolecular interactions rather than substrate-molecule interactions. However, no ordered LEED patterns were observed for the CuPc on S-passivated InAs(100) surface. The intermolecular interaction energy calculations have been carried out to rationalise this structural difference. In the case of CuPc unit cells on PTCDA layer, the planar layered CuPc structure is more stable than the $\alpha$-herringbone structure, consistent with the experimental LEED results. For CuPc unit cells on a S-($1{\times}1$) layer, however, the $\alpha$-herringbone structure is more stable than the planar layered structure, consistent with the absence of diffraction pattern. The results show that the lattice structure during the initial stages of thin film growth is influenced strongly by the intermolecular interactions at the interface.

• 한국전자파학회:학술대회논문집
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• 한국전자파학회 2001년도 종합학술발표회 논문집 Vol.11 No.1
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• pp.319-324
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• 2001

An anatomical head and a multi-layered spherical head with a half-wave handset antenna have been analysed and compared using the Finite-Difference Time-Domain (FDTD) and the Eigenfuntion Expansion Method (EEM), respectively. The analysis shows that results from a simple spherical head with a half-wave antenna can be used to predict the main antenna radiation patters as well as estimates of the peak SAR in a handset user's head. Various representative design data are presented using a six-layered spherical head with a half-wave antenna at 900 MHz

• 한국정보과학회논문지:컴퓨팅의 실제 및 레터
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• 제16권10호
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• pp.980-984
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• 2010

microRNA (miRNA)와 mRNA 조절 상호작용 탐색은 다양한 생물학적 현상에 있어 새로운 시야를 제공해 줄 수 있다. 최근 생물학적 프로세스에서 miRNA는 유전자 발현을 제어하고 세포를 기능적으로 조절하는 중요한 역할을 하는 요소로 밝혀졌다. 이에 복잡한 생물학 시스템에서 miRNA의 기능적 활동을 이해하기 위해서는 miRNA와 mRNA간 상호작용 분석은 필수적이다. 그러나 아직까지 복잡한 miRNA와 mRNA간 상호작용 관계를 추론하는 것은 어려운 문제이기 때문에 많은 연구자들이 실험적, 전산학적 접근 방법을 제안하며 활발한 연구를 진행하고 있다. 본 논문에서는 이종의 발현 데이터로부터 기능적으로 상호작용하는 miRNA-mRNA 조합을 탐색하기 위한 진화 연산 기반의 새로운 하이퍼네트워크 모델을 제안한다. 이에 실험결과로 제안하는 방법을 인간 암 관련 miRNA와 mRNA 발현 데이터에 적용하여 암 특이적 miRNA-mRNA 상호작용 집합을 탐색하고 발견한 miRNA-mRNA 상호작용 관계가 생물학적으로 유의함을 제시한다.

• 한국생산제조학회지
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• 제24권4호
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• pp.421-427
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• 2015

In this paper, a description is given of finite element method (FEM) simulations of the elastic bending modulus of multi-layered graphene sheets that were carried out to investigate the mechanical behavior of graphene sheets with different gap thicknesses through molecular mechanics theory. The interaction forces between layers with various gap thicknesses were considered based on the van der Waals interaction. A finite element (FE) model of a multi-layered rectangular graphene sheet was proposed with beam elements representing bonded interactions and spring elements representing non-bonded interactions between layers and between diagonally adjacent atoms. As a result, the average elastic bending modulus was predicted to be 1.13 TPa in the armchair direction and 1.18 TPa in the zigzag direction. The simulation results from this work are comparable to both experimental tests and numerical studies from the literature.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2007년도 춘계학술대회A
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• pp.343-348
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• 2007

Molecular dynamics study of thermal NIL (Nano Imprint Lithography) process is performed to examine stamp-resist interactions. A layered structure consists of Ni stamp, poly-(methylmethacrylate) thin film resist and Si substrate was constructed for isothermal ensemble simulations. Imposing confined periodicity to the layered unit-cell, sequential movement of stamp followed by NVT simulation was implemented in accordance with the real NIL process. Both vdW and electrostatic potentials were considered in all non-bond interactions and resultant interaction energy between stamp and PMMA resist was monitored during stamping and releasing procedures. As a result, the stamp-resist interaction energy shows repulsive and adhesive characteristics in indentation and release respectively and irregular atomic concentration near the patterned layer were observed. Also, the spring back and rearrangement of PMMA molecules were analyzed in releasing process.

• 한국고분자학회:학술대회논문집
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• 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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• pp.190-190
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• 2006

The approach used in present work allows achieving highly exfoliated state of layered silicate s through confinement of the charged nanobeads within the gallery of swollen pristine clay. The latter is principally promoted by ion exchange that involves polar functional groups on the surface of nanobeads and sodium cation in the interlayer gallery of layered silicates. Surface functionality of the nanobeads plays crucial role in establishment of strong interactions with silicate surface, and eventually, dispersion of individual silicate nanoplatelets.

• Journal of Magnetics
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• 제6권4호
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• pp.119-121
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• 2001

Monte Carlo simulation was employed to study the phase transition in the classical Heisenberg ferromagnet with variable interlayer interactions. The measured transition temperatures show a strong logarithmic dependence on J/J'where J and J'are the intralayer and the interlayer exchange interaction, respectively. The results were compared with the theoretical expectations and an empirical formula for the critical coupling was stained.

• 대한기계학회논문집A
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• 제20권4호
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• pp.1275-1289
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• 1996

The plane elasticity problem of collinear cracks in a layered medium is investigated. The medium is modeled as bonded structure constituted from a surface layer and a semi-infinite substrate. Along the bond line between the two dissimilar homegeneous constituents, it is assumed that as interfacial zone having the functionally graded, nonhomogeneous elastic modulus exists. The layered medium contains three collinear cracks, one in each constituent material oriented perpendicular to the nominal interfaces. The stiffness matrix formulation is utilized and a set of homogeneous conditions relevant to the given problem is readily satisfied. The proposed mixed boundary value problem is then represented in the form of a system of integral equations with Cauchy-type singular kernels. The stress intensity factors are defined from the crack-tip stress fields possessing the standard square-root singular behavior. The resulting values of stress intensity factors mainly address the interactions among the cracks for various crack sizes and material combinations.

• Advances in nano research
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• 제6권4호
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• pp.357-375
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• 2018

Two dimensional (2D) atomic layered nanomaterials exhibit some of the most striking phenomena in modern materials research and hold promise for a wide range of applications including energy and biomedical technologies. Graphene has received much attention for having extremely high surface area to mass ratio and excellent electric conductivity. Graphene has also been shown to maximize the activity of surface-assembled metal nanoparticle catalysts due to its unique characteristics of enhancing mass transport of reactants to catalysts. This paper specifically investigates the strategy of pre-formed nanoparticle self-assembly used for the formation of various metal nanoparticles supported on graphene families such as graphene, graphene oxide, and reduced graphene oxide and aims at understanding the interactions between ligand-capped metal nanoparticles and 2D nanomaterials. By varying the functional groups on the ligands between alkyl, aromatic, amine, and alcohol groups, different interactions such as van der Waals, ${\pi}-{\pi}$ stacking, dipole-dipole, and hydrogen bonding are formed as the 2D hybrids produced.

• 전기학회논문지
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• 제57권9호
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• pp.1572-1578
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• 2008

The effect of the organoclay_10A nanoparticles on the DSC and Structural and Dielectrics Properties(1Hz-1MHz) for epoxy/Organoclay_10A Nanocomposites has been studied. Dielectric properties of epoxy-Organoclay nanocomposites were investigated at 1, 3, 5, 7, 9 filler concentration by weight. Epoxy nanocomposites samples were prepared with good dispersion of layered silicate using power ultrasonic method in the particles. As structural analysis, the interlayer spacing have decreased with filled nanoparticles contents increase using power ultrasonic dispersion. The maximum increase interlayered spacing was observed to decease for above 5wt% clay loading. The other hand, as decrease with concentration filler of the layered silicate were increased dispersion degree of nanoparticles in the matrix. The interesting dielectric properties for epoxy based nanocomposites systems are attributed to the large volume fraction of interfacesin the bulk of the material and the ensuring interactions between the charged nanoparticle surface and the epoxy chains.