• Title/Summary/Keyword: orientational anisotropy

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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.

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.

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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How Do Liquid Crystal Molecules Align on Treated Surfaces?

  • Okada, Yoshinori;Shioda, Tatsutoshi;Chung, Doo-Han;Park, Byoung-Choo;Takezoe, Hideo
    • 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.

Investigation of entanglement dynamics of flexible polymer chains via comparison of dielectric and viscoelastic properties: a review of recent findings

  • Watanabe, H.
    • Korea-Australia Rheology Journal
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    • v.13 no.4
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    • pp.205-217
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    • 2001
  • This review article summarizes results of recent viscoelastic and dielectric studies for entangled cis-polyisoprene (PI) chains. The PI chains have the so-called type-A dipoles parallel along the chain backbone, and their slow viscoelastic and dielectric relaxation processes reflect the same global chain motion. However, this motion is differently averaged in the viscoelastic and dielectric properties, the former representing the isochronal orientational anisotropy of individual entanglement segments while the latter detecting the orientational correlation of the segments at two separate times (0 and t). On the basis of this difference, the viscoelastic and dielectric data of the entangled PI chains were compared to elucidate detailed features of the chain dynamics. Specifically, the molecular picture of dynamic tube dilation (DTD) incorporated in recent models was tested for linear and star PI chain. The comparison revealed that the DTD picture was valid for linear PI chains but failed for the star PI chains in the dominant part of the terminal relaxation. The failure for the star chains was related to the pre-requisite for the DTD process, rapid equilibration of successive entanglement segments through their constraint release (CR) motion: For the star chains, the dilated tube diameter expected in the terminal regime was considerably large because of a broad distribution of motional modes of the chains, so that the CR-equilibration required for DTD could not occur in time. The terminal relaxation of the star chain appeared to occur through the CR process before the expected DTD process was completed. The situation was different for the linear chain exhibiting narrowly distributed motional modes. The dilated tube expected for the linear chain was rather thin and the required CR-equilibration occurred in time, resulting in the success of the DTD picture. These detailed features of the chain dynamics was revealed only when the viscoelastic and dielectric properties were compared, demonstrating the importance of this comparison.

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Conformational changes of short, discrete Rouse chain during creep and recovery processes

  • Watanabe, Hiroshi;Inoue, Tadashi
    • Korea-Australia Rheology Journal
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    • v.16 no.2
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    • pp.91-99
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    • 2004
  • For the Rouse chain composed of infinite number of beads (continuous limit), conformational changes during the creep and creep recovery processes was recently analyzed to reveal the interplay among all Rouse eigenmodes under the constant stress condition (Watanabe and Inoue, Rheol. Acta, 2004). For completeness of the analysis of the Rouse model, this paper analyzes the conformational changes of the discrete Rouse chain having a finite number of beads (N = 3 and 4). The analysis demonstrates that the chain of finite N exhibits the affine deformation on imposition/removal of the stress and this deformation gives the instantaneous component of the recoverable compliance, $J_{R}$(0) = 1/(N-l)v $k_{B}$T with v and $k_{B}$ being the chain number density and Boltzmann constant, respectively. (This component vanishes for N\longrightarrow$\infty$.) For N = 2, it is known that the chain has only one internal eigenmode so that the affinely deformed conformation at the onset of the creep process does not change with time t and $J_{R}$(t) coincides with $J_{R}$(0) at any t (no transient increase of $J_{R}$(t)). However, for N$\geq$3, the chain has N-l eigenmodes (N-l$\geq$2), and this coincidence vanishes. For this case, the chain conformation changes with t to the non-affine conformation under steady flow, and this change is governed by the interplay of the Rouse eigenmodes (under the constant stress condition). This conformational change gives the non-instantaneous increase of $J_{R}$(t) with t, as also noted in the continuous limit (N\longrightarrow$\infty$).X>).TEX>).X>).

Effects of Magnetic Field Intensities for Various Lengths of Time on Orientation of Fowl Spermatozoa

  • Pham, Du Ngoc;Shinjo, Akihisa;Sunagawa, Katsunori
    • Asian-Australasian Journal of Animal Sciences
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    • v.14 no.10
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    • pp.1367-1373
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    • 2001
  • This study used fowl sperm from three White Leghom rooster reared at our laboratory. Semen samples were exposed to the magnetic field strengths of from 650 to 5700 Gauss for one. two, or three days to investigate the influence of magnetic field on the orientation of fowl spermatozoa. Fowl spermatozoa were found to orient with their long axis of heads perpendicular to the magnetic field direction. The fowl spermatozoa were initially influenced when magnetic field intensities were from 650 to 5700 Gauss and the highest values (70.67, 72.49 and 71.79%) were found in the 5700 Gauss treatment at one, two, and three days exposure, respectively. Although percentages of the perpendicular oriented fowl spermatozoa increased along with the enhancement of the magnetic field intensity, the degree of orientation was only significantly higher in the treatments having the magnetic field strength from 1500 to 5700 Gauss than that in the control treatment at all exposure time. In addition, the experimental results also showed that the percentages of all orientational types of fowl spermatozoa (perpendicular category including upward perpendicular and downward perpendicular and parallel type consisting of leftward parallel and rightward parallel) in all treatments tended to be stable during exposure time. From the results of this study. it is suggested that (1) the diamagnetic anisotropy of the inside structural components of fowl spermatozoa induce them to orient perpendicular to the magnetic field direction, (2) the degree of orientation increased according to the enhancement of magnetic field strengths, (3) fowl spermatozoa had not an high sensitivity to the magnetic field, and the level of perpendicular orientation of fowl spermatozoa in this study is nearly similar to that of cattle sperm in the study of Suga et al. (2000).

Orientations of Vertical Rift and Grain Planes in Mesozoic Granites, Korea (국내의 중생대 화강암류에서 발달하는 수직의 1번 및 2번 면의 방향성)

  • Park, Deok-Won
    • The Journal of the Petrological Society of Korea
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    • v.16 no.1 s.47
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    • pp.12-26
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    • 2007
  • We have studied orientational characteristics of vertical rift and grain planes developing in 108 quarries for Mesozoic granites. Orientations of these planes vary in different localities. In general, orientations of these planes are predominantly NNE in South Korea. From the regional distribution chart, orientations of these planes show three dominant sets in terms of frequency orders: (1) $N2{\sim}10^{\circ}E(1st-order),\;(2)\;N15{\sim}25^{\circ}E(2nd-order),\;(3)\;N45{\sim}70^{\circ}E,\;N10{\sim}30^{\circ}W\;and\;N70{\sim}80^{\circ}W(3rd-order)$. These granite quarries are classified by the relative difference in the easiness of rock splitting between horizontal and vertical quarrying planes into: R-type, G-type, and H-type. The results showed that quarries for Triassic granites belong to R and G-types;those for Jurassic granites belong to R, G and H-types. In addition, quarries for Cretaceous granites belong mainly to R-type. Among these quarry types, the most diverse type was identified in the quarries for Jurassic granites. R-type (77.8%) shows a higher distribution ratio compared with G and H-types (22.2%). In general, anisotropy of physical properties is found in granitic rocks and there exists close correlation between orientations of granitic rock splitting planes and those of the open microcracks. Meanwhile, it has been reported that preferred orientations of open microcracks suggest maxinum principal stress orientations.

Spin-orbit Coupling Effect on the Structural Optimization: Bismuth Telluride in First-principles (스핀-궤도 각운동량 상호작용의 구조 최적화에 대한 효과: 비스무스 텔루라이드의 제일원리 계산의 경우)

  • Tran, Van Quang;Kim, Miyoung
    • Journal of the Korean Magnetics Society
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    • v.23 no.1
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    • pp.1-6
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    • 2013
  • Spin-orbit coupling (SOC) effect is known to be the physical origin for various exotic magnetic phenomena in the low-dimensional systems. Recently, SOC also draws lots of attention in the study on magnetically doped thermoelectric alloys to determine their properties as the thermoelectric application as well as the topological insulator via the exact electronic structures determination near the Fermi level. In this research, aiming to investigate the spin-orbit coupling effect on the structural properties such as the lattice constants and the bulk modulus of the most widely investigated thermoelectric host material, $Bi_2Te_3$, we carried out the first-principles electronic structure calculation using the all-electron FLAPW (full-potential linearized augmented plane-wave) method. Employing both the local density approximation (LDA) and the generalized gradient approximation (GGA), the structural optimization is achieved by varying the in-plane lattice constant fixing the perpendicular lattice constant and vice versa, to find that the SOC effect increases the equilibrium lattices slightly in both directions while it markedly reduces the bulk modulus value implying the strong orientational dependence, which are attributed to the material's intrinsic structural anisotropy.