• Bulletin of the Korean Chemical Society
• /
• 제21권3호
• /
• pp.310-316
• /
• 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
• /
• 제21권4호
• /
• pp.434-440
• /
• 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.

• 전자공학회논문지D
• /
• 제34D권4호
• /
• pp.113-120
• /
• 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.

• 전자공학회논문지D
• /
• 제34D권3호
• /
• pp.114-122
• /
• 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
• /
• 제4권2호
• /
• pp.29-34
• /
• 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.

• 한국진공학회지
• /
• 제7권s1호
• /
• pp.149-155
• /
• 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.

• 한국광학회지
• /
• 제27권6호
• /
• pp.223-228
• /
• 2016

액정과 같은 단축 이방성 분자들의 정렬 정도에 따라 달라지는 복굴절으로부터 상대 복굴절 ${\Delta}n_{rel}$를 구하고 ${\Delta}n_{rel}$과 방향질서변수(orientational order parameter) S의 관계를 탐색하였다. 무질서한 분포를 하고 있는 경우를 포함하여 액정의 정렬정도를 달리 표현할 수 있는 분포함수를 도입하고 이 분포함수를 사용하여 질서변수 S가 0부터 1까지 변하도록 액정분자들의 정렬정도를 달리하며 ${\Delta}n_{rel}$과 S를 수치계산 하였다. 이 계산 결과로부터 s와 ${\Delta}n_{rel}$는 $S=(1+a){\Delta}n_{rel}-a{\Delta}n^2_{rel}$와 같이 준선형적인 관계를 만족하며 a는 $n_o{\frac{{\Delta}n}{4}}$으로 근사할 수 있음을 확인하였다. 또한 복굴절으로부터 Vuks의 방법에 따라 구한 분자분극의 이방성과 Neugebauer의 방법에 따라 구한 분자분극의 이방성이 각각 질서변수 S와 또 다른 준선형 관계식들을 따름을 보였다.

• 한국진공학회:학술대회논문집
• /
• 한국진공학회 2013년도 제45회 하계 정기학술대회 초록집
• /
• pp.192.2-192.2
• /
• 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.