• 한국신재생에너지학회:학술대회논문집
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• 2011.05a
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• pp.150.2-150.2
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• 2011

Unlike non-ionic clathrate hydrates stably formed by van der Waals interaction between a guest molecule and a surrounding host framework, ionic clathrate hydrates are stabilized by ionic interaction between an ionic guest molecule and the host water-framework. Here, we firstly described the stable entrapment of the superoxide ions in ${\gamma}$-irradiated $Me_4NOH+O_2$ hydrate. Owing to peculiar direct guest-guest ionic interaction, the lattice structure of ${\gamma}$-irradiated $Me_4NOH+O_2$ hydrate shows significant change of lattice contraction behavior even at relatively high temperature(120K). Particularly, we note that ionic-induced dimensional change is much greater than thermal-induced change. Such findings are expected to provide useful information for a better understanding of unrevealed nature of clathrate hydrate fields.

• Transactions on Electrical and Electronic Materials
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• v.4 no.1
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• pp.21-23
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• 2003

The washing effects on pretilt angle generation in a nematic liquid crystal (NLC), 4-n-pentyl-4'-cyanobiphenyl (5CB) on a rubbed polyimide (PI) surface with trifluoromethyl moiety have been successfully studied. The pretilt angle of 5CB is increased by the washing process on the rubbed PI surface. The surface tension on the rubbed PI surface increases with the rubbing strength RS and then saturated above RS: 150 mm. The pretilt angle of 5CB for all washing processes on the rubbed PI surface decreases with the surface tension. We have found that the pretilt angle of 5CB on the rubbed PI surface may be attributed van der walls (VDW) dispersion interaction between the LC molecules and the polymer surfaces having trifluoromethyl moieties.

• Journal of Environmental Science International
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• v.27 no.10
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• pp.901-906
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• 2018

Water and oxygen are two of the most essential molecules for many species on earth. Their unique properties have been studied in many areas of science. In this study, the interaction of water and oxygen molecules was observed at the nano-scale. Using molecular dynamics, a water droplet with 30,968 water molecules was simulated. Then, 501 oxygen molecules were introduced into the domain. A few oxygen molecules were attracted to the surface of the water droplet due to van der Waals forces, and some oxygen molecules actually entered the water droplet. These interactions were visualized and quantified at four temperatures ranging from 280 to 370 K. It was found that at high temperatures, there was a higher possibility of the oxygen molecules penetrating the water droplet than that at lower temperatures. However, at lower temperatures, oxygen molecules were more likely to be found interacting at the surface of the water droplet than at high temperatures.

• Proceedings of the KSME Conference
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• 2004.11a
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• pp.400-403
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• 2004

We present a coarse-graining model to describe the mechanical behaviors of multi-walled carbon nanotubes. To find the atomic configuration in membrane-like nanostructure i.e. carbon nanotube, we employ interpolation functions and the associated element-variables that are defined in the subdivided region. Tersoff-Brenner potential is adopted for interaction of bonded atoms and also van der Waals force for non-bonded interaction. Moreover, we simulate the coarse-graining multi-walled carbon nanotubes with defects and its result is compared with that of perfect multi-walled carbon nanotubes.

• Proceedings of the KSME Conference
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• 2004.04a
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• pp.542-546
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• 2004

Fully non-local Quasicontinuum method using sub-divided region with Hermite interpolation function is proposed for simulation of carbon nanotube. Tersoff-Brenner potential is adopted for interaction of bonded atoms and also van der Waals force for non-bonded interaction. Bending of single wall carbon nanotube with chirality (20,0) and 15nm length is simulated up to 90 degree. Bending of double wall carbon nanotube with chirality (20,0) and (12,0) is simulated up to 65 degree. Bending of four wall carbon nanotube is simulated up to 45 degree.

• Bulletin of the Korean Chemical Society
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• v.34 no.8
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• pp.2466-2472
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• 2013

Human immunodeficiency virus type-1 (HIV-1) is a causative agent of Acquired immunodeficiency syndrome (AIDS), which has affected a large population of the world. Viral envelope glycoprotein (gp120) is an intrinsic protein for HIV-1 to enter into human host cells. Molecular docking guided molecular dynamics (MD) simulation was performed to explore the interaction mechanism of heterobiaryl derivative with gp120. MD simulation result of inhibitor-gp120 complex demonstrated stability. Our MD simulation results are consistent with most of the previous mutational and modeling studies. Inhibitor has an interaction with the CD4 binding region. Van der Waals interaction between inhibitor and Val255, Thr257, Asn425, Met426 and Trp427 were important. This preliminary MD model could be useful in exploiting heterobiaryl-gp120 interaction in greater detail, and will likely to shed lights for further utilization in the development of more potent inhibitors.

• Journal of Sensor Science and Technology
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• v.13 no.4
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• pp.316-320
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• 2004

The possibility to use powder consisting of fullerite microcrystallines as a device sensitive to the external axial mechanical load is considered. We suppose that the change of conductivity of fullerite microcrystalline powder as a function of external mechanical stress will be useful for the creation of nanoscale devices of sensor electronics. This new effect based on changing of intermolecular distance between fullerene molecules due to the action of external mechanical force, which can change the distance between fullerene molecules because of weak van der Waals interaction exists. The founded effect is quite linear and sensitive to external mechanical stress is better then in well-known pressure transducers is based on silicon technology.

• Macromolecular Research
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• v.8 no.5
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• pp.224-230
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• 2000

Molecular mechanics technique has been used for finding energy-minimized conformation to understand the mechanism of yielding of glassy polymers in atomistic level. As a model polymer, amor- phous isotactic polypropylene (iPP) was generated by molecular mechanics and molecular dynamics methods. The stress-strain cone was successfully obtained by using molecular mechanics technique. The torsional angle distribution showed no significant change during extension, although the torsional angles of certain bonds in polymer backbone changed more largely than other bonds. No significant change in the van der Waals interaction is observed at yielding point, whereas the torsional angle energy starts to decrease at yield strain.

• Bulletin of the Korean Chemical Society
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• v.28 no.3
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• pp.421-426
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• 2007

A linking ligand containing sulfur donor atoms in the terminal thiophene rings, 1,2-bis(thiophen-2-ylmethylene) hydrazine (L), was prepared by Schiff-base condensation. Ligand L reacted with [PdCl2(NCPh)2] to produce a molecular Pd compound [PdL2Cl2] (1). On the other hand, it reacted with AgNO3 and AgClO4 to produce a 2-D network [AgL0.5(NO3)] (2) and a 1-D polymer [AgL]ClO4 (3), respectively, whose structures are based on secondary intermolecular forces such as H-bonding, van der Waals interaction, and π-π stacking. Polymer 2 exhibited photoluminescence at room temperature in the solid state.

• Journal of Mechanical Science and Technology
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• v.18 no.5
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• pp.789-797
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• 2004

The nanoscale sensing and manipulation have become a challenging issue in micro/nano-robotic applications. In particular, a feedback sensor-based manipulation is necessary for realizing an efficient and reliable handling of particles under uncertain environment in a micro/nano scale. This paper presents a piezoresistive MEMS cantilever for nanoscale force measurement in micro robotics. A piezoresistive MEMS cantilever enables sensing of gripping and contact forces in nanonewton resolution by measuring changes in the stress-induced electrical resistances. The calibration of a piezoresistive MEMS cantilever is experimentally carried out. In addition, as part of the work on nanomanipulation with a piezoresistive MEMS cantilever, the analysis on the interaction forces between a tip and a material, and the associated manipulation strategies are investigated. Experiments and simulations show that a piezoresistive MEMS cantilever integrated into a micro robotic system can be effectively used in nanoscale force measurements and a sensor-based manipulation.