• Bulletin of the Korean Chemical Society
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• v.21 no.3
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• pp.310-316
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• 2000

Molecular dynamics simulation studies for thermotropic liquid crystalline systems conposed of rodlike molecules with 6 Lennard-Jones interaction sites wre performed in NPT ensemble. Within the range of temperature studied, the system exhibited isotropic and smectic phase. For the characterization of the smectic phase, we examined the structure of the liquid crystalline phase via the radial distribution function, its longitudinal and transverse components to the director, and other orientational correlation function, its longitudinal and transverse components to the director, and other orientational correlation functions. In the smectic A phase, our results showed a large anisotropy in translational motion (i.e.,$D_⊥ >> D_∥$), and the decay of the collective orientational correlation function of rank two became slower than that of the single particle orientational correlation function of rank one. Comments on the spontaneous growth of orientational order directly from the isotropic phase are given.

• Bulletin of the Korean Chemical Society
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• v.21 no.4
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• pp.434-440
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• 2000

We present the results of computer simulation for the steady shear flows of rodlike molecules using nonequi-librium molecular dynamics simulation (NEMD) method. The model particle is a rigid rod composed of lin-early connected 6-sites and the Lennard-Jones 12-6 potential governs interactions between sites in different molecules. The system of rodlike molecules exhibits the change of orientational structure, that is, isotropic-nematic transition at high shear rates. We elucidate the nature of the ordered system developed from an isotro-pic phase by steady shear through an analysis of various quantities: orientational order parameters, orientational pair correlation functions, orientational distribution function, and snapshots of configurations. The effects of temperature and density on the shear rate dependence of orientational structure are described.

• Journal of the Korean Institute of Telematics and Electronics D
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• v.34D no.4
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• pp.113-120
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• 1997

In this paper, we have obtained information about the orientational distribution (polar and azimuthal) of the surface molecules on backward rubbed polyimide. Using the second-harmonic genration tecnique, the nonlinear susceptibility tensor components were induced. And, the orientational distribution function was estimated without a prior assumptions, using the maximum entropy method. The polar angle of surface molecules befor rubbing is isotropic. The polar angle of surface molecules after rubbing is anisotropic along the rubbing direction. The polar angle of surface molecules after several rubbing is determined by the last rubbing direction.

• Journal of the Korean Institute of Telematics and Electronics D
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• v.34D no.3
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• pp.114-122
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• 1997

The surface characteristics of polymers for liquid crystal alignment are studied by optical second-harmonic genertion (SHG) tecnique. Using SHG technique, the LC monolayers on rubbed polymer have already been studied. But, in this paper, the SH signals of polymer were observed and the orientational distribution of oriented polymer was studied. Te SHG experiments for side-chain type and main-chain type polymers are carried out as a function of rubbing strength. The orentational distribution of surface molecules of polymers is compared with the LC pretilt angle measured by the crystal rotation method.

• Journal of Information Display
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• v.4 no.2
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• pp.29-34
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• 2003

We have studied liquid crystal (LC) molecular alignment on rubbed and photoaligned surfaces. Particular attention was paid to the intermolecular liquid crystalline interaction. We will first show that uniform molecular orientation on a rubbed surface does not mean spatially uniform interaction between the surface and LC molecules. Rather LCs tend to align themselves through LC interaction. The existence of nonuniformity of rubbing was successfully visualized by double surface treatment. The importance of intermolecular LC interaction was also found in the orientation formation process in 5CB evaporated on rubbed and photoaligned surfaces. By simultaneously analyzing polarized UVNIS absorption and second-harmonic generation (SHG) using the maximum entropy method, we succeeded in obtaining the temporal variation of the orientational distribution functions in the film forming process. The distribution anisotropy and pretilt are found to be generated under the influence of intermolecular LC interaction.

• Journal of the Korean Vacuum Society
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• v.7 no.s1
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• pp.149-155
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• 1998

The linear electro-optic (EO) effect is one of the second-order nonlinear optical effects existing in a noncentrosymmetric macroscopic system. In a polymer thin film, the noncentrosymmetry is achieved by electric field poling. The magnitude of the linear EO response is determined through the orientational distribution function of hyperpolarizable molecular dipoles. The relation between the linear EO coefficient and the second-order nonlinear optical susceptibility is explained. Three different methods of measuring the linear EO coefficient of a poled nonliner optical polymer thin film are introduced and discussed. All of them make use of the interferometric technique, the difference being in the optical parameters which are interfering.

• Korean Journal of Optics and Photonics
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• v.27 no.6
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• pp.223-228
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• 2016

The birefringence of distributed, uniaxially anisotropic molecules like liquid crystals is calculated as the degree of ordering is varied. The relation between the normalized birefringence ${\Delta}n_{rel}$ and the orientational order parameter S is investigated. The distribution function, which enables one to monitor the degree of ordering of liquid crystals including randomly distributed ones, is introduced. Using this distribution function, a series of distributed liquid crystals with order parameters ranging from 0 to 1 are generated, and ${\Delta}n_{rel}$ and S of the correspondingly distributed liquid crystals are calculated. Based on the calculated data, it is revealed that ${\Delta}n_{rel}$ and S satisfy the quasi-linear relation of $S=(1+a){\Delta}n_{rel}-a{\Delta}n^2_{rel}$, where a can be approximated as $n_o{\frac{{\Delta}n}{4}}$. The anisotropy of molecular polarizability is also calculated, using the birefringence, and separately following Vuks' method and Neugebauer's method, and it is shown that the relations between S and the molecular-polarizability anisotropy are also quasi-linear.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.08a
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• pp.192.2-192.2
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• 2013

Crystalline order and surface stability of 1,4,5,8,9,11-hexaazatriphenylene-hexanitrile (HATCN) thin films on organic surface were investigated using grazing incidence wide angle x-ray scattering and x-ray reflectivity measurements. In the initial growth regime (less than 20 nm), HATCN molecules were stacked to low crystalline order with substantial amorphous phase. Meanwhile, a thicker film with 50 nm thickness showed high crystalline order of hexagonal phase with three different orientational domains. The domain distribution was quantitatively obtained as a function of tilted angle. By an organic-inorganic interface formation of IZO/HATCN thin film from an indium zinc oxide (IZO) electrode deposition, the surface stability of HATCN film was investigated and the sharp interface was confirmed by the x-ray reflectivity measurement.