• 제목/요약/키워드: orientational anisotropy

검색결과 9건 처리시간 0.035초

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

  • 이창준;심훈구;김운춘;이송희;박형숙
    • 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.

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

  • 김상열
    • 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}$$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.

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

  • 원영희;김용기;이종하;이현곤
    • 한국광학회지
    • /
    • 제5권4호
    • /
    • pp.481-486
    • /
    • 1994
  • 높은 정전기장이 인가된 유기용액의 분자배향도를 측정하는 수단으로 z-scan방법을 사용하였다. 무게비로 0.5%의 4-dimethylamino-4'-nitrostilbene을 cyclopentanone에 녹인 혼합용액을 시료로 z-scan실험을 수행하였으며 측정된 등방비선형 굴절율 $n_{2}$값은 $1.064{\mu}m$파장에서 $-0.905\times10^{-8}\textrm{cm}^2/MW$였다. 3.45KV/nm 정전기장을 인가한 경우에 측정된 $n_{2}$의 비등방비 값은 1.34였으며 분자배향도계수 $

    _2 및

    _4$값은 0.092 및 -0.128이였다.

  • PDF

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
    • /
    • 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.

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
    • /
    • 제13권4호
    • /
    • pp.205-217
    • /
    • 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.

  • PDF

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

  • Watanabe, Hiroshi;Inoue, Tadashi
    • Korea-Australia Rheology Journal
    • /
    • 제16권2호
    • /
    • pp.91-99
    • /
    • 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
    • /
    • 제14권10호
    • /
    • pp.1367-1373
    • /
    • 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).

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

  • 박덕원
    • 암석학회지
    • /
    • 제16권1호
    • /
    • pp.12-26
    • /
    • 2007
  • 12개 지역에서 분포하는 108개소의 중생대 화강암류의 석산에서 발달하는 수직의 1번 및 2번 면에 대한 분포 특성을 규명하였다. 각 지역에서 발달하는 수직 결의 방향성은 다양하다. 그러나 전국의 이들 수직 면은 전반적으로 북북동 방향이 우세하다. 수직면의 방향을 종합한 광역 분포도에서 이들 면의 빈도 등급별방향을 살펴보면 (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$$N70{\sim}80^{\circ}W(3rd-order)$ 방향의 3조의 우세 배향을 보여준다. 수평 채석면과 수직 채석면의 상대적인 분리성에 의한 화강암 석산의 유형은 R-유형, G-유형 및 H-유형의 3 종류로 분류되었다. 1번 면이 수평면을 형성하고, 2번 및 3번 면이 수직면을 형성하는 유형(R-유형), 2번 면이 수평면을 형성하고, 1번 및 3번 면이 수직면을 형성하는 유형(G-유형), 3번 면이 수평면을 형성하고, 1번 및 2번 면이 수직면을 형성하는 유형(H-유형) 등이다. 트라이아스기 화강암류의 석산은 R-유형 및 G-유형, 쥬라기 화강암류의 석산은 R-유형, G-유형 및 H-유형 그리고 백악기 화강암류의 석산은 주로 R-유형으로 각각 분류되었다. 이러한 석산 유형 중, 쥬라기 화강암류의 석산에서 가장 다양한 유형이 확인되었다. 유형별 분포비율을 살펴보면, R-유형의 분포비율이 77.8%를 차지하여 22.2%를 차지하는 G-유형 및 H-유형에 비하여 분포비율이 높다. 일반적으로 화강암질암에서는 흔히 물성의 이방성이 확인되며, 할석면의 방향과 열린 미세균열의 방향과는 상호 밀접한 상관성이 있다. 한편 관련 연구사례를 통하여 미세균열의 우세한 방향은 치대 압축 주응력의 방향을 지시함을 알 수 있다.

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

  • ;김미영
    • 한국자기학회지
    • /
    • 제23권1호
    • /
    • pp.1-6
    • /
    • 2013
  • 스핀 궤도 각운동량의 상호작용은 저차원계 자성물질에서 나타나는 여러 가지 특이한 현상들의 물리적 원인을 제공하는 것으로 알려져 있다. 최근 들어 자성 도핑을 이용한 열전 물질의 합금에 대한 관심이 높아지면서, 열전 및 위상 절연체(Topological Insulator) 등의 물리적 성질 결정에 중요한 역할을 하는 페르미 에너지 준위 부근에서의 전자구조에 대한 스핀 궤도 각운동량의 효과 연구가 관심을 끌고 있다. 본 연구에서는 가장 일반적인 열전 호스트 물질인 비스무스 텔루라이드의 격자 상수 및 부피 팽창률에 대한 스핀 궤도 각운동량 상호작용의 효과를 연구하기 위하여 모든 전자(all-electron) FLAPW(full-potential linearized augmented plane wave) 방법을 이용하여 전자구조 계산을 수행하였다. 국소밀도 근사법 및 일반 기울기 보정법의 서로 다른 교환상호작용 퍼텐셜을 채용하고, 수평격자 및 수직격자를 분리하여 변화시키는 구조최적화 계산을 통하여, 스핀-궤도 각운동량 상호작용의 효과가 격자상수 평형 값을 약하게 증가시키는 반면, 부피탄성률을 크게 감소시키는 영향을 주며, 그 효과는 구조적 이방성이 뚜렷한 비스무스 텔루라이드의 특성에 의하여 격자방향에 대한 의존성을 보인다는 것을 확인했다.