• 대한기계학회:학술대회논문집
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• 대한기계학회 2007년도 춘계학술대회A
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• pp.527-531
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• 2007

The classical continuum theory-based thin film model is independent of their size and the surface effect can be ignored. But the surface to bulk ratio becomes very large in nano-size structures such as nano film, nano wire and nano beam. In this case, surface effect plays an important role and its contribution of the surface effect must be considered. Molecular dynamics simulation has been a conventional way to analyze these ultra-thin structures but structures in the range between submicro and micro are difficult to analyze by classical molecular dynamics due to the restriction of computing resources and time. Therefore, in present study, the continuum-based method is considered to predict the overall physical and mechanical properties of the structures in nano-scale, especially, for the thin-film. The proposed continuum based-thin plate finite element is efficient and reliable for the prediction of nano-scale film behavior.

• 한국환경과학회지
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• 제27권10호
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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.

• Tribology and Lubricants
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• 제20권2호
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• pp.102-108
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• 2004

In this paper, friction and wear behaviors between monocrystalline, defect-free copper and carbon on the atomic scale are investigated by using 2-dimensional molecular dynamics simulation. It is assumed that all interatomic forces are given by Morse potential. The deformation of carbon is assumed to be neglected and vacuum condition is also assumed. Average friction and normal forces for various surface conditions, various scratch speeds and scratch depths are obtained from simulations. Changes of wear behaviors for various scratch speeds and surface conditions are investigated by observing snapshots in scratch process. The effects of surface conditions, scratch speeds, and scratch depths on the friction force, normal force, and friction coefficient are also investigated.

• Bulletin of the Korean Chemical Society
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• 제23권5호
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• pp.699-704
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• 2002

We characterized nanoelectrode arrays prepared from self-assembled monolayers (SAMs) by adsorption from a solution containing thiolated $\beta$-cyclodextrin ($\beta$-CD) and n-alkanethiol on the gold electrode surface, using electrochemical methods. While the framework, the n-hexadecanethiol SAM, effectively blocked electron transfer between the electrode surface and solution-phase redox probe molecules, the $\beta$-CD cavities isolated in the forests of n-hexadecanethiol molecules were shown to act as an ultramicroelectrode array. The shapes of cyclic voltammograms of probe molecules were related to the number densities of $\beta$-CD molecules within the monolayer films. Probe molecules that have the correct combination of physical and chemical characteristics were shown to effectively penetrate the framework through the $\beta$-CD pores and exchange electrons with the electrode surface.

• BMB Reports
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• 제50권6호
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• pp.285-298
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• 2017

The cancer stem cell (CSC) hypothesis has captured the attention of many scientists. It is believed that elimination of CSCs could possibly eradicate the whole cancer. CSC surface markers provide molecular targeted therapies for various cancers, using therapeutic antibodies specific for the CSC surface markers. Various CSC surface markers have been identified and published. Interestingly, most of the markers used to identify CSCs are derived from surface markers present on human embryonic stem cells (hESCs) or adult stem cells. In this review, we classify the currently known 40 CSC surface markers into 3 different categories, in terms of their expression in hESCs, adult stem cells, and normal tissue cells. Approximately 73% of current CSC surface markers appear to be present on embryonic or adult stem cells, and they are rarely expressed on normal tissue cells. The remaining CSC surface markers are considerably expressed even in normal tissue cells, and some of them have been extensively validated as CSC surface markers by various research groups. We discuss the significance of the categorized CSC surface markers, and provide insight into why surface markers on hESCs are an attractive source to find novel surface markers on CSCs.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2005년도 제29회 학술발표회 초록집
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• pp.51-51
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• 2005

• 한국미생물학회:학술대회논문집
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• 한국미생물학회 1998년도 제38회 춘계학술발표대회
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• pp.62.2-62.2
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• 1998

• Bulletin of the Korean Chemical Society
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• 제30권6호
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• pp.1309-1312
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• 2009

Surface potential and growth processes of hexadecanethiol (HDT) self-assembled monolayers (SAMs) on Au(111) surfaces were examined by Kelvin probe method and scanning tunneling microscopy. It was found that surface potential strongly depends on surface structure of HDT SAMs. The surface potential shift for the striped phase of HDT SAMs chemisorbed on Au(111) surface was +0.45 eV, which was nearly the same as that of the flat-lying hexadecane layer physisorbed on Au(111) surface. This result indicates that the interfacial dipole layer induced by adsorption of alkyl chains is a main contributor to the surface potential change. In the densely-packed HDT monolayer, further change of the surface potential was observed, suggesting that the dipole moment of the alkanethiol molecules is an origin of the surface potential change. These results indicate that the work function of a metal electrode can be modified by controlling the molecular orientation of an adsorbed molecule.

• Journal of Photoscience
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• 제11권1호
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• pp.1-6
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• 2004

Molecular assembling is one of the current interests in the field of bottom-up nanotechnology. Self-assembled monolayers of sulfur-containing molecules or supramolecular assemblies via surface sol-gel processes formed on conductive supports are chemically robust and can be easily fabricated without sophisticated instruments. We have fabricated various types of molecular assemblies consisting of donor-acceptor pairs on the surfaces of gold and indium-tin-oxide electrodes. Build-up of three-dimensional multi structures consisting of thiol dyes and gold nanoparticles also has been successful. These assemblies showed clear photocurrent responses in photoelectro-chemical cells. In this article, we will describe recent progress on photoelectric conversion using molecular assemblies especially focused on our research results.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2007년도 춘계학술대회B
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• pp.2678-2683
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• 2007

The interaction between metal molecules and liquid metal molecules was modeled in the molecular scale and simulated by the molecular dynamics method in order to understand behaviors of the cluster on metallic surface in collision process. Lennard-Jones potential had been used as intermolecular potential, and only attraction 때 d repulsion had been used for the behavior of the cluster on the metal surface. As results, the behavior of the cluster was so much influenced by the cluster of liquid metal temperature and function of molecules forces, such as attraction and repulsion, in the collision progress. These results of simulation will be the foundation for the micro fabrication manufacturing by using spray application technology.