• Title/Summary/Keyword: orientational order

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Nonequilibrium Molecular Dynamics Simulation Study on the Shear-Induced Orientational Change of Rodlike Molecules

  • Lee, Chang Jun;Sim, Hun Gu;Kim, Un Cheon;Lee, Song Hui;Park, Hyeong Suk
    • 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.

Molecular Dynamics Simulation Studies of a Model System for Liquid Crystals Consisting of Rodlike Molecules in NPT Ensemble

  • Lee, Chang Jun;Sim, Hun Gu;Kim, Un Chun;Lee, Song Hui;Park, Hyeong Suk
    • 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.

Chain Ordering Effects in the Nematic-Isotropic Phase Transition of Polymer Melts

  • Han Soo Kim;Hyungsuk Pak;Song Hi Lee
    • Bulletin of the Korean Chemical Society
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    • v.12 no.2
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    • pp.199-206
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    • 1991
  • A statistical thermodynamic theory of thermotropic main-chain polymeric liquid crystalline melts is developed within the framework of the lattice model by a generalization of the well-known procedure of Flory and DiMarzio. According to the results of Vasilenko et al., the theory of orientational ordering in melts of polymers containing rigid and flexible segments in the main chain is taken into account. When the ordering of flexible segments in the nematic melt is correlated with that of rigid mesogenic groups, the former is assumed to be given as a function of the ordering of rigid mesogenic cores. A free energy density that includes short-range packing contributions is formulated. The properties of the liquid-crystalline transiton are investigated for various cases of the system. The results calculated in this paper show not only the order-parameter values but also the first-order phase transition phenomena that are similar to those observed experimentally for the thermotropic liquid-crystalline polymers and show the transitional entropy terms which actually increase upon orientational ordering. In the orientational ordering values, it is shown that mesogenic groups, flexible segments, and gauche energy (temperature) may be quite substantial. Finally, by using the flexibility term, we predict the highly anisotropic mesophase which was shown by Vasilenko et al.

Estimation of the frequency component and the orientational angle in texture image based on the QPS filter (QPS 필터에 의한 질감영상의 주파수성분과 방향각 평가)

  • 류재민;박종안
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.21 no.5
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    • pp.1123-1131
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    • 1996
  • Several improved quadrature polar separable (QPS) filters have been proposed and applied in texture processing since Knutsson proposed the QPS filter. They include a Knutsson's cosine function or oan exponential attenuation function, as the orientational function, and a Knutsson's exponential function or a finite prolate spheroidal sequence (FPSS) or an asymptotic FPSS, as the radial weighting functions. They represent different properties in terms of the generation of texture images, the orientational estimation, and the segmentation of synthetic texture image. In this paper, we have constructed several kernal functions for the 2-D QPS filter and analyzed their properties. A series of experiments have been carried out in order to estimate the frequency components and orientational angles of a local texture in Fourier domain. finally some problems encountered in applying QPS filters to feature description and segmentation are considered. Experimental results show that the improved Knutsson's filter and the asymptotic FPSS filter are useful in terms of the orientational estimation and the sementation of synthetic texture image.

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Electric Field Induced Anisotropic Nonlinear Refractive Index of Organic Solution (전기장에 의한 유기용액의 비등방 비선형 굴절율)

  • 원영희;김용기;이종하;이현곤
    • Korean Journal of Optics and Photonics
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    • v.5 no.4
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    • pp.481-486
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    • 1994
  • We demonstrate z-scan method as a tool for investigating the molecular orientational order in organic solution when high static electric field is applied. Experiments are performed for the solution of 0.5% (by weight) 4-dimethylamino-4'-nitrostilbene in cyclopentanone and nonlinear refractive index $n_{2}$, is measured to be $-0.905\times10^{-8}\textrm{cm}^2/MW$ at $1.064{\mu}m$. When static electric field of 3.45 KV fmm is applied, the anisotropy ratio of n, is measured to be 1.34 and the molecular orientational order parameters $

    _2 and

    _4$ are found to be 0.092 and -0.128, respectively. ively.

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Optical Interferometric Characterization of Nonlinear Optical Polymer Thin Films

  • Wu, J.W.
    • 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.

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The Explicitly Quasi-linear Relation Between the Order Parameter and Normalized Birefringence of Aligned Uniaxially Anisotropic Molecules Determined Using a Numerical Method (수치해석적인 방법으로 규명한 정렬된 단축이방성 분자들의 질서변수와 상대 복굴절의 준선형 관계식)

  • Kim, Sang Youl
    • 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.

Chain Length Dependence of Confined Liquid Crystals Configuration

  • Finotello, Daniele;Jin, Tao
    • 한국정보디스플레이학회:학술대회논문집
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    • 2003.07a
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    • pp.256-259
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    • 2003
  • The study of confined liquid crystals flourished in the decade of the nineties. Liquid crystals properties have been probed after confinement in well-defined or interconnected geometries as those available in porous media and in polymer networks. In this work we emphasized the power of the nuclear magnetic resonance technique to determine the confined liquid crystal structures. We also present unexpected results on the dependence of the confined liquid crystal configuration on the chain length.

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Chamferless part-mating using 6-axis force sensor (6축 힘 감지기를 사용한 챔퍼(chamfer)가 없는 부품의 조립 작업)

  • 성영휘;정명진
    • 제어로봇시스템학회:학술대회논문집
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    • 1991.10a
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    • pp.1155-1160
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    • 1991
  • Active part mating algorithm using 6-axis force sensor data for the assembly automation and/or teletobotics is presented and experimented. Parts to be mated are cylindrical and have no chamfers. There are basically two modes. One is the normal mode with only a positional error, the other is the tilted mode with an orientational error in addition to a positional error. The used algorithm distinguishes a contact external to the hole from that of internal to the hole in order to perform part-mating in spite of the relative tilt between the hole and the peg.

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Chain Length Dependence of Confined Liquid Crystals Configuration

  • Finotello, Daniele;Jin, Tao
    • Journal of Information Display
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    • v.4 no.1
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    • pp.14-16
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    • 2003
  • The study of confined liquid crystals flourished in the decade of the nineties. Liquid crystals properties have been probed after confinement in well-defined or interconnected geometries as those available in porous media and in polymer networks. In this work we emphasized the power of the nuclear magnetic resonance technique to determine the confined liquid crystal structures. We also present unexpected results on the dependence of the confined liquid crystal configuration on the chain length.