• Transactions of the Korean Society of Mechanical Engineers B
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• v.33 no.2
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• pp.101-106
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• 2009

The disjoining pressure is an important physical property in modeling the small-scale transport phenomena on thin film. It is a very useful definition in characterizing the non-continuum effects that are not negligible in heat and mass transport of the film thinner than submicro-scales. We present the calculated values of disjoining pressure of He, Kr and Xe thin films absorbed on graphite substrate using Molecular Dynamics Simulation (MD). The disjoining pressure is accurately calculated in the resolution of a molecular scale of the film thickness. The characteristics of the pressure are discussed regarding the molecular nature of the fluid system such as molecular diameter and intermolecular interaction parameters. The MD results are also compared with those based on the continuum approximation of the slab-like density profile and the results on other novel gases in the previous study. The discrepancies of the continuum model with MD results are shown in all three configurations and discussed in the view point of molecular features.

• Proceedings of the KSME Conference
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• 2007.05b
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• pp.1912-1915
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• 2007

The disjoining pressure is critical in modeling the transport phenomena in small scales. They are very useful in characterizing the non-continuum effects that are not negligible in heat and mass transports in the film of less than submicro-scales. We present he disjoining pressure of thin film absorbed on solid substrate using Molecular Dynamics Simulation (MD). The disjoining pressure with respect to the film thickness is accurately calculated in the resolution of a molecular scale. The characteristics of the pressure are discussed regarding the molecular nature of the fluid system like molecular diameter and intermolecular interaction. Also, the MD results are compared with those based on the macroscopic approximation of the slab-like density profile. Significant discrepancy is observed when the effective film thickness is less than several molecular diameter

• Proceedings of the KSME Conference
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• 2003.11a
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• pp.228-232
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• 2003

It has recently been shown that the instability of thin film of a nanoscale can be used in the processes of building nano-size structures, which have potential practical importance in nanotechnology. Molecular dynamics simulation is conducted to probe the thin fluid film of a nano-size and its dynamic behavior during destabilization and structure formation. Non-continuum characteristics are shown in the properties like pressure tensor, viscosity, and thermal conductivity. The thermocapillary force induces a slow growth of long waves in the scale considered. A long-range interaction with the solid wall induces vertical structures, whose formation time and space between neighbors are proportional to the strength of the interaction.

• Macromolecular Research
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• v.9 no.1
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• pp.1-19
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• 2001

Poly(p-phenylene pyromellitimide) and poly(4,4'-biphenylene pyromellitimide) are representatives of fully rod-like polyimides. Their structure and properties in thin films are reviewed. The polymers exhibit some excellent properties such as high molecular packing coefficient, high mechanical modulus, and low thermal expansion coefficient, and low interfacial stress, so that they are very attractive to both industry and academia. However, these polymers are very brittle and thus practically useless. Some chemical modifications to improve such drawback with a little sacrifice of the high modulus are described: i) incorporation of short side groups into the polymer backbone and ii) insertion of proper linkages into the polymer backbone.

• Bulletin of the Korean Chemical Society
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• v.28 no.11
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• pp.1945-1950
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• 2007

Two fluorene-based conjugated copolymers containing hexyl-thiophene derivatives, PF-1T and PF-4T, were synthesized via the palladium-catalyzed Suzuki coupling reaction. The number-average molecular weights (Mn) of PF-1T and PF-4T were found to be 19,100 and 13,200, respectively. These polymers were soluble in common organic solvents such as chloroform, chlorobenzene, toluene, etc. The UV-vis absorption maximum peaks of PF-1T and PF-4T in the film state were found to be 410 nm and 431 nm, respectively. Electrochemical characterization revealed that these polymers have low highest occupied molecular orbital (HOMO) levels, indicating good resistance against oxidative doping. Thin film transistor devices were fabricated using the top contact geometry. PF-1T showed much better thin-film transistor performance than PF-4T. A thin film of PF- 1T gave a saturation mobility of 0.001-0.003 cm2 V?1 s?1, an on/off ratio of 1.0 × 105, and a small threshold voltage of ?8.3 V. To support TFT performance, we carried out DSC, AFM, and XRD measurements.

• Bulletin of the Korean Chemical Society
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• v.28 no.12
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• pp.2481-2485
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• 2007

Spatially resolved, quantitative, non-destructive analysis using synchrotron x-ray reflectivity (XR) with subnano-scale resolution was successfully performed on the nanoporous organosilicate thin films for low dielectric applications. The structural information of porous thin films, which were prepared with polymethylsilsesquioxane and thermally labile 4-armed, star-shaped poly(ε-caprolactone) (PCL) composites, were characterized in terms of the laterally averaged electron density profile along with a film thickness as well as a total thickness. The thermal process used in this work caused to efficiently undergo sacrificial thermal degradation, generating closed nanopores in the film. The resultant nanoporous films became homogeneous, well-defined structure with a thin skin layer and low surface roughness. The average electron density of the calcined film reduced with increase of the initial porogen loading, and finally leaded to corresponding porosity ranged from 0 to 22.8% over the porogen loading range of 0-30 wt%. In addition to XR analysis, the surface and the inner structures of films are investigated and discussed with atomic force and scanning electron microscopy images.

• Proceedings of the KSME Conference
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• 2007.05b
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• pp.2702-2707
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• 2007

The purpose of this study is to calculate the behavior of molecules for the generation of homogeneous thin-films in the process of spray deposition. The calculation system was composed of a suface molecular region and droplet molecular region. The thin-film was generated when droplet molecules fell to surface molecules. Lennard-Jones potential had been used as intermolecular potential, and only attraction 때 d repulsion had been used for the behavior of the droplet on the solid surface. As results, the behavior of the droplet was so much influenced by the surface temperature in the spray deposition process. High temperature of surface has higher porosity and larger spread area. It was found that simulation results generally agreed well with previous the experimental results. This simulation result will be the foundation for the deposition processes of industry.

• Korean Journal of Materials Research
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• v.9 no.1
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• pp.25-29
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• 1999

We have developed a laser molecular beam epitaxy system for the layer-by-layer growth of oxide thin films. Using this system, we could grow and control oxide thin films of LaAlO$_3$in a molecular layer epitaxy mode on the atomically flat SrTiO$_3$ substrate with a LaAlO$_3$single crystal target. Very clear RHEED oscillations were observed during to growth of a LaAlO$_3$ film for a long period under the optimized conditions of substrate temperature at $650^{\circ}C$, oxygen pressure at 1$\times$10\ulcorner torr, and an incident laser fluence of 4.6J/$\textrm{cm}^2$. The height of mono-layer-LaAlO$_3$ film grown during one period of RHEED intensity oscillation was 3.8$\AA$.

• Bulletin of the Korean Chemical Society
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• v.34 no.11
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• pp.3340-3344
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• 2013

The fabrication of polymer field-effect transistors with good electrical properties requires the minimization of molecular defects caused by low molecular weight (MW) fractions of a conjugated polymer. Here we report that the electrical properties of a narrow bandgap conjugated polymer could be dramatically improved as a result of dipping a thin film into a poor solvent. The dipping time in hexanes was controlled to efficiently eliminate the low molecular weight fractions and concomitantly improve the molecular ordering of the conjugated polymer. The correlation between the structural order and the electrical properties was used to optimize the dipping time and investigate the effects of the low MW fraction on the electrical properties of the resulting thin film.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.08a
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• pp.251-251
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• 2010

Organic-inorganic hybrid materials have attracted because of its combined properties, such as flexibility and high electrical performance. In addition, the hybrid materials are expected to have synergic effect which are not shown in just one component. Here, we fabricated organic-inorganic hybrid thin film. Organic-inorganic hybrid thin film have been deposited from diethyl zinc and 1, 2, 4-trihydroxybenzene (THB) by molecular layer deposition (MLD). UV-VIS, Using Infrared spectrum and X-ray photoelectron spectroscopy confirm that Zinc and THB hybrid film (ZnTHB) consist of Zn-O and THB - oxide units and the micro structure and composition of hybrid film. hat the sequential surface reactions of diethyl zinc and ethylene glycol are sufficiently self-limiting and saturating to enable well-controlled MLD growth. Transmission electron microscopy image shows lamination growth of ZnTHB film according to cycle.