• Analytical Science and Technology
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• v.6 no.4
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• pp.383-390
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• 1993

Retention behaviors of aliphatic and aromatic compounds were investigated with Van der Waals volume which represented the molecular size. The organic solvents, methanol, acetonitrile and tetrahydrofuran, were mixed with water at various ratio, respectively. The selectivity of organic solvents were tested by change of column temperature. The capacity factor was increased linearly according to the enlargement of molecular size. Therefore, Van der Waals volume was useful to predict the elution of organic molecules in reversed-phase column. The order of elution capacity of solvents was methanol

• Proceeding of EDISON Challenge
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• 2015.03a
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• pp.400-404
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• 2015

2차원 물질인 metal mono chalcogenides(MMC) 중 GaS와 GaSe를 대상으로 하여 층과 층 사이의 van der Waals(vdW) 상호작용을 density functional theory(DFT) 계산을 이용해 연구하였다. Local density approximation(LDA)와 generalized gradient approximation (GGA)의 두 가지 다른 exchange correlation functional을 이용하고, 또한 두 개의 층 사이에 작용하는 van der Waals 상호작용을 고려한 LDA-D2, GGA-D2 계산을 수행하였다. 이와 같은 네 가지 방법으로 층간거리를 바꾸어 binding energy curve를 계산하였다. 그 결과 GGA-D2계산이 MMC의 층간 상호 작용을 가장 잘 기술하였다.

• 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.

• 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.

• 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.

• Journal of Adhesion and Interface
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• v.24 no.3
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• pp.100-104
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• 2023

Van der Waals heterostructures have garnered significant attention in recent research due to their excellent electronic characteristics arising from the absence of dangling bonds and the exclusive reliance on Van der Waals forces for interlayer coupling. However, most studies have been confined to fundamental research employing the Scotch tape (mechanical exfoliation) method. We fabricated Van der Waals vertical heterojunction transistors to advance this field using materials exclusively grown via chemical vapor deposition (CVD). CVDgrown graphene was patterned through photolithography to serve as electrodes, while CVD-grown MoSe₂ was employed as the pickup/transfer material, resulting in the realization of Van der Waals heterojunction transistors with interlayer charge transfer effects. The electrical characteristics of the fabricated devices were thoroughly examined. Additionally, we observed variations in the transistor's performance based on the presence of defects in MoSe₂ layer.

• Applied Chemistry for Engineering
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• v.7 no.4
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• pp.809-812
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• 1996

Generalized van der Waals equation of state combined with the core-softening theory and temperature dependent repulsive and attractive terms exhibit the anomalous thermal expansion, i.e. density anomaly. Density maxima occur at both positive and negative pressure when the hard-core diameter decreases with increasing temperature, $db_r/dT_r<0$, and at negative pressure when the repulsive force increases with increasing temperature, $da_r/dT_r>0$.

• 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.

• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.195-200
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• 2002

Fluorescence excitation spectrum of the trans.trans-1,3,5,7-octatetraene(OT)-Xe van der Waals clusters formed in supersonic jet expansions has been obtained. The transition lines corresponding to the van der Waals cluters of OT with Xe are observed in the lower frequency side of the OT band origin. Based on the spectral shifts, fluorescence lifetimes, and concentration dependence of the peak intensities, most of the transition lines are assigned to the $OT-Xe_n$ (n = 1, 2, 3, 4) clusters. Long progressions of a van der Waals vibrational mode are observed for n = 1, 2, 3 and 4 clusters and assigned to rocking of the OT moiety with respect to the Xe atom with the help of ab initio quantum mechanical calculation.

• 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.