• Transactions of the Korean Society for Noise and Vibration Engineering
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• v.20 no.4
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• pp.390-396
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• 2010

Resonant frequencies and the associated vibrational modes of multiwall carbon nanotubes are studied in this paper. The analysis is based on a multiple-elastic beam model, considering intertube radial displacements and the related internal degrees of freedom. Especially, van der Waals interaction is modified considering both all interaction between each layers in multi-wall carbon nanotubes and curvature effect. The results show that modified van der Waals interaction could significantly affect the natural frequencies of multi-walled carbon nanotubes. In particular, non-coaxial intertube resonance will be excited at the higher resonant frequencies of multiwall carbon nanotubes.

• Tribology and Lubricants
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• v.31 no.6
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• pp.264-271
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• 2015

Adhesion force of nanomaterials such as nanoparticle, nanowire, and nanorods should be significantly considered for its mechanical applications. However, examination of the adhesion force is limited since it is technically challenging to carry out experiments with such small objects. Therefore, in this work, molecular dynamics simulation (MDS) was conducted to determine the adhesion force between a nanowire and a flat surface, which could not be readily assessed through experiments. The adhesion force of a cylindrical-shaped nanowire was assessed by performing MDS and applying an equation of Van der Waals interaction. Simulation was conducted in two steps: indentation of a spherical tip on the flat surface and indentation of a cylinder on the flat surface, because the purpose of the simulation was comparing the results of the simulation and calculation of the Van der Waals interaction equation. From the simulation, Hamaker constant used for the equation of Van der Waals interaction was determined to be 2.93 °ø 10?18 J. Using this constant, the adhesion force of the nanowire on the flat surface was readily estimated by calculating Van der Waals equation to be approximately 65~89 nN with respect to the diameter of the nanowire. Moreover, the adhesion force of the nanowire was determined to be 52~77 nN from the simulation It was observed that there was a slight discrepancy (approximately 15~25%) between the results of the simulation and the theoretical calculation. Thus, it was confirmed that the calculation of Van der Waals interaction could be utilized to assess the adhesion force of the nanowire.

• Bulletin of the Korean Chemical Society
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• v.16 no.9
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• pp.850-858
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• 1995

Golden-rule like formulas have been used without theoretical basis to calculate the resonance lifetimes and final state distributions in the predissociation of van der Waals molecules. Here we present their theoretical basis by extending Fano's configuration interaction theory. Such extensions were independently done by Farnonux [Phys. Rev. 1985, 25, 287] but his work, unfortunately, was not well known outside some small group of people in the field of Auger spectroscopy. Since my extension is easier to understand than his, it is presented here. Theoretical basis of Golden rule like formulas used in the predissociation of van der Waals molecules was obtained by using such extensions. Factors responsible for several aspects of predissociation dynamics, such as variations of dynamics as functions of resonance lifetimes, or variations in shapes of final quantum state distributions of photofragments around resonances, were identified. Parameters, or dynamical information that could be obtained from the measurement of partial cross section spectra were accordingly determined. The theory was applied to the vibrational predissociation of triatomic van der Waals molecules and its result was compared with those calculated by close-coupling method. An example where Golden-rule like expression fails and branching ratios vary greatly around a resonance was considered.

• Proceedings of the Korean Society of Tribologists and Lubrication Engineers Conference
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• 2002.10b
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• pp.63-64
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• 2002

In a micro-scale contact, surface forces such as capillary force and van der Waals Interaction significantly Influence the contact between asperities of rough surfaces. Little is, however, known about the variation of these surface forces as a function of chemical property of the surface (hydrophilicity), relative humidity and deformation of asperities In the real area of contact. A better understanding of these surface forces is of great necessity in order to find an optimal solution for reducing friction and adhesion of micro surfaces. We proposed an effective method to analyze capillary and van der Waals forces In nano-scale contact. In this method, Winklerian foundation model was employed to analyze the contact of rough surfaces that were obtained from atomic force microscopy (AFM) height Images. Self-mated contact of diamond-like-carbon (DLC) coatings was analyzed, as an example, by the proposed model. It was shown that the capillary force was significantly influenced by relative humidify and wet angle of the DLC surface. The deformation of asperities to a critical magnitude by external loading led to a considerable increase of both capillary and van der Waals forces.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.26 no.10
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• pp.2180-2186
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• 2002

In a micro-scale contact, capillary force and van der Waals interaction significantly influence the contact between asperities of rough surfaces. Little is, however, known about the variation of these surface forces as a function of chemical property of the surface (wet angle), relative humidity and deformation of asperities in the real area of contact. A better understanding of these surface forces is of great necessity in order to find a solution for reducing friction and adhesion of micro surfaces. The objective of this study is to investigate the surface forces in micro-scale rough surface contact. We proposed an effective method to analyze capillary and van der Waals forces in micro-scale contact. In this method, Winkler spring model was employed to analyze the contact of rough surfaces that were obtained from atomic force microscopy (AFM) height images. Self-mated contact of DLC(diamond like carbon) coatings was analyzed, as an example, by the proposed model. It was shown that the capillary force was significantly influenced by relative humidity and wet angle of the DLC surface. The deformation of asperities to a critical magnitude by external loading led to a considerable increase of both capillary and van der Waals forces.

• Applied Microscopy
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• v.44 no.4
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• pp.123-132
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• 2014

Silicene is one of the most interesting two-dimensional materials, because of not only the extraordinary properties similar to graphene, but also easy compatibility with existing silicon-based devices. However, non-existing graphitic-like structure on silicon and unstable free-standing silicene structure leads to difficulty in commercialization of this material. Therefore, substrates are essential for silicene, which affects various properties of silicene and supporting unstable structure. For maintaining outstanding properties of silicene, van der Waals bonding between silicene and substrate is essential because strong interaction, such as silicene with metal, breaks the band structure of silicene. Therefore, we review the stability of silicene on other two-dimensional materials for van der Waals bonding. In addition, the properties of silicene are reviewed for silicene-based heterostructure.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.164.1-164.1
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• 2014

플러렌은 구조적인 특성때문에 흡착된 표면의 재료적 성질과 구조 그리고 흡착 배향에 따라 전자구조가 민감하게 변한다. 그래핀 위의 플러렌은 약한 van der Waals interaction으로 인해 매우 균일한 패턴으로 자가조립하여 decoupling 되는 것으로 알려져 있지만 [1,2] 그래핀을 지지하는 substrate의 종류에 따라 플러렌의 전자 구조에 영향을 미치는 것으로 보인다 [3]. 우리는 substrate에 의한 효과를 관찰하기 위헤 Cu(111)위에 그래핀과 플러렌을 순차적으로 성장시켜 STM을 이용하여 플러렌의 흡착구조 및 전자 구조를 연구하였다. 플러렌과 그래핀 사이의 van der Waals interaction과 이웃한 플러렌 분자들 사이의 intermolecular interaction 세기에 따라 흡착 구조가 크게 영향을 받음을 알 수 있었다.

• Journal of Magnetics
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• v.20 no.3
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• pp.201-206
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• 2015

Using the Vienna ab initio simulation package (VASP) incorporating both semiempirical and nonlocal van der Waals interaction, the structural, adsorption, and magnetic properties of Ni/BN/Co systems were investigated. We proposed that the relative spin direction of Ni and Co magnets can be easily tuned, because the total energy difference between ferromagnetic (FM) and antiferromagnetic (AFM) states is small. Despite this feature, very interestingly, both Ni and Co layers manifest half-metallic state, whereas the spacer BN layer becomes weak metal for one monolayer (ML) thickness and an insulating barrier for two ML thicknesses. The half-metallic behavior of the magnetic layers seems very robust, because it is independent of the magnetic coupling between Ni and Co. This finding indicates that the Ni/BN/Co system can be used as a potential candidate for tunneling magnetoresistance system.

• Bulletin of the Korean Chemical Society
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• v.32 no.6
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• pp.2063-2069
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• 2011

We studied the interaction of 3,3',3'',3'''-ethylenetetrakis-4-hydroxycoumarin (EHC) with bovine serum albumin (BSA) in acetate buffer and phosphate buffer with different pH values by UV-vis absorption spectrometry and fluorescence spectrometry respectively. It was found that the pH values of the buffer solutions had an effect on the interaction process. In acetate buffer of pH 4.70, the carbonyl groups in EHC bound to the amino groups in BSA by means of hydrogen bond and van der Waals force, which made the extent of peptide chain in BSA changed. By contrast, in phosphate buffer of pH 7.40, hydrophobic force played a major role in the interaction between EHC and BSA, while the hydrogen bond and van der Waals force were also involved in the interaction. The results of spectrometry indicated that BSA could enhance the fluorescence intensity of EHC by forming a 1:1 EHC-BSA fluorescent complex through static mechanism at pH 4.70 and 7.40 respectively. Furthermore, EHC bound on site 1 in BSA.

• Journal of the Korean Chemical Society
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• v.34 no.3
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• pp.267-279
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• 1990

The adsorption mechanisms of phenols on XAD-2 and XAD-7 resins were studied by using the distribution coefficient(log Kd) measured in the optimum adsorption conditions. It was observed that the Langmuir adsorption isotherm, indicating a molecular size-dependent adsorption, was appropriate for characterizing the adsorption behaviors of phenols on XAD-2 and XAD-7 resins. The adsorption energies of phenols on XAD resins were calculated by Lennard-Jones potential equation. In the calculation of the adsorption energy, the molecular radii and dipole moments of the resins and phenols were calculated by their van der Waals volumes and Debye equation, respectively. The stacking factor (F) were determined from the radio of the equilibrium distance to the stacking distance of molecules. In order to explain the adsorption energy calculated from the stacking factor it was compared with the adsorption enthalpy for each of phenols which was experimentally determined by batch adsorption shake method. It was observed that the adsorption enthalpy of phenolate ions on the XAD resins was likely to be more seriously affected by dispersion interaction than by a dipole or a charge interaction.