• Title/Summary/Keyword: Molecular motion

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Computer Simulations of two kinds of Polydisperse Hard-Sphere Systems; Atomic Systems and Colloidal Suspensions

  • Shimura Tsutomu;Yamazaki Hiroyuki;Terada Yayoi;Tokuyama Michio
    • 한국전산유체공학회:학술대회논문집
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    • 2003.10a
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    • pp.21-22
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    • 2003
  • We perform two kinds of computer simulations on polydisperse hard-sphere systems; a molecular-dynamics simulation on atomic systems and a Brownian-dynamics simulation on colloidal suspensions. Analyses of the mean square displacement, the radial distribution function, and the pressure suggest that there exist three phase regions, a liquid phase region, a metastable phase region, and a crystal phase region, where the freezing and melting points are shifted to the values higher than in monodisperse case. It is also shown that the long-time behavior of colloidal suspensions is exactly the same as that of atomic systems.

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MASS DISTRIBUTION IN THE CENTRAL FEW PARSECS OF OUR GALAXY

  • Oh, Seung-Kyung;S. Kim, Sung-Soo;Figer, Donald F.
    • Journal of The Korean Astronomical Society
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    • v.42 no.2
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    • pp.17-26
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    • 2009
  • We estimate the enclosed mass profile in the central 10 pc of the Milky Way by analyzing the infrared photometry and the velocity observations of dynamically relaxed stellar population in the Galactic center. HST/NICMOS and Gemini Adaptive Optics images in the archive are used to obtain the number density profile, and proper motion and radial velocity data were compiled from the literature to find the velocity dispersion profile assuming a spherical symmetry and velocity isotropy. From these data, we calculate the the enclosed mass and density profiles in the central 10 pc of the Galaxy using the Jeans equation. Our improved estimates can better describe the exact evolution of the molecular clouds and star clusters falling down to the Galactic center, and constrain the star formation history of the inner part of the Galaxy.

A study on the manufacture and dielectric of the polyvinylidene fluoride thin films through vapor deposition method (진공증착법을 이용한 PVDF박막의 제작과 유전 특성에 관한 연구)

  • Park, S.H.;Im, U.C.;Cho, K.S.;Lee, D.C.
    • Proceedings of the KIEE Conference
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    • 1995.11a
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    • pp.420-422
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    • 1995
  • PVDF (polyvinylidene fluoride) has at least from known crystalline structure ( ; they are referred to as the $\alpha$, $\beta$, $\gamma$ and $\alpha_p$ phase or forms II, I, III and $IV_p$). In this study, the manufactured PVDF thin films through vapor deposition method had for II ( ; the substrate temperature at 30$^{\circ}C$). The dielectric behavior of poly(vinylidene fluoride) is affected by orientation and crystal modification. The very high value of the dielectric constant for high temperature conditioned film is believed to be due to the orientation effect. The loss peak caused by molecular motion of the molecules in crystalline regions.

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Simulation of Liquid Crystals Considering Flow Effect (흐름효과를 고려한 액정의 시뮬레이션)

  • Kim Hoon;Park Woo-Sang
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.19 no.3
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    • pp.260-266
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    • 2006
  • In this paper, We coupled fluid balance and director balance equation from Ericksen-Leslie's continuum theory and observed the motion of Liquid Crystal molecular. We simulated flow velocity and director distribution in which flow effect is considered in switching on and switching off state. We interpreted the dynamic response characteristic caused by the flow. As the result of the simulation, We could see the flow effect. In the case of Twisted Nematic(TN) cell, this flow caused abnormal twist temporarily in switching off state. We could prove that this abnormal twist is a direct cause of optical bounce phenomenon known well until now with the result of simulation. In addition, We analyzed the mechanism of the fast response due to flow in the case of Optically Compensated Bend(OCB) cell.

Microscopic Surface Dynamics Studied by Scanning Probe Microscopy

  • Gwon, Gi-Yeong
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.111-111
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    • 2011
  • Arrangement of individual atoms and molecules with atomic precision and understanding the resulting properties at the molecular level are ultimate goals of chemistry, biology, and materials science. For the past three decades, scanning probe microscopy has made strides towards these goals through the direct observation of individual atoms and molecules, enabling the discovery of new and unexpected phenomena. This talk will discuss the origin of forces governing motion of small organic molecules and their extended self-assembly into two-dimensional surface structures by direct observation of individual molecules using scanning tunneling microscopy (STM). In addition, atomic force microscopy (AFM) is utilized for the investigation of fundamental mechanisms of bone mineral dissolution by examining atomically well characterized simulated bone minerals under aqueous solution environments.

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An Interactive Molecular Modeling Using a Motion Path Prediction on a Distributed Processing System (분산 처리 기반의 사용자 입력 예측을 이용한 분자 모델링 시뮬레이션 도구의 상호작용 시스템)

  • Kim Bosoon;Kim Jee-In
    • Proceedings of the Korean Information Science Society Conference
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    • 2005.11b
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    • pp.256-258
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    • 2005
  • 분자모델링 시뮬레이션 도구는 신 물질과 신약개발을 위한 가상 실험을 하는데 사용되는 중요한 도구이다. 이 도구는 분자 물질간의 결합을 통하여 에너지 계산을 하여 가장 낮은 에너지 준위를 보여주는 위치를 탐색한다. 에너지 결과를 빠르게 제공하면 사용자가 분자 물질을 결합하여 안정된 위치를 찾는데 많은 도움을 줄 수 있다. 본 연구에서는 에너지 계산을 고성능으로 처리 할 수 있는 분산처리시스템과 실시간 응답성 보장 스케줄링 알고리즘을 적용한 환경에 사용자 입력 예측 시스템을 추가하여 에너지 계산을 기존 시스템 보다. 빠르게 요청하였으며, 에너지 계산 결과의 응답성을 향상 시켰다. 또한 사용자 입력 예측시스템에서 발생하는 오차의 문제를 예측 시스템의 운영 방식을 통해 해결 방법을 제시하고 있다. 본 연구는 에너지 결과의 응답성 보장을 통하여 사용자가 좀 더 빠르게 안정된 결합 위치를 찾도록 도와준다.

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Rapid detection of liposome by piezoresistive cantilever sensor (고감도 압저항 외팔보 센서를 이용한 Liposome의 검침)

  • Hyun, S.J.;Kim, H.S.;Kim, Y.J.;Jung, H.I.
    • Journal of Sensor Science and Technology
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    • v.14 no.3
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    • pp.156-159
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    • 2005
  • Liposomes are microscopic spherical vesicles that form when lipids are hydrated and have been widely used for biochemical assay, drug delivery and molecular imaging. In particular, they are well known for artificial cell membranes to study cellular functions such as cell fusions and membrane proteins. Here, we firstly report the detection of liposomes by the highly sensitive microfabricated piezoresistive cantilever sensor chip and the phosphatidylserine recognition protein C2A which is chemically immobilized on the sensor surface. The signal created from the bending motion of piezoresistive cantilever after the liposome attachment has been monitored in real time.

Confocal Microscopy of Colloidal Suspensions

  • Kim, Jin Young;Weon, Byung Mook
    • Applied Microscopy
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    • v.44 no.1
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    • pp.30-33
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    • 2014
  • Colloidal systems or colloids consist of microparticles or nanoparticles (solute) uniformly suspended in a liquid (solvent), also called colloidal suspensions. They can mimic and exhibit microscopic or atomic aspects of molecular and atomic systems. They have been increasingly studied because of their similarity with atomic systems. They can be microscopically observed by optical microscopes because they are large enough in size and slow in motion to be monitored; microscopic methods are very useful and powerful in research on colloidal systems. Recently, confocal laser microscopy has been known as a powerful tool to obtain information of real-space and real-time behaviors of colloidal suspensions. In particular, it is possible to exactly track individual colloids in three dimensions with confocal microscopy. In this article, we briefly discuss the usefulness of confocal microscopy in colloidal systems that are currently used as model systems to resolve important questions in materials science.

Particle Simulation on the Effect of Grid Cathode Geometry in SCBF Device (SCBF 장치에서 그리드 음극 구조의 영향에 대한 입자 시뮬레이션)

  • Ju, Heung-Jin;Park, Jeong-Ho;Ko, Kwang-Cheol
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.20 no.8
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    • pp.742-747
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    • 2007
  • In 2-dimensional SCBF (Spherically Convergent Beam Fusion) device, the effect on neutron production rate of the grid cathode geometry was simulated. The motion of Particles was tracked using Monte Carlo Method including the atomic and molecular collision processes and potential distribution was calculated by Finite Element Method, Main processes of the discharge were the ionization of $D_2$ by fast $D_2^+\;ion$. As the number of cathode rings was small and the size of grid cathode decreased, the ion current increased and neutron production rate will also increase. The star mode discharge which is a very important characteristic in SCBF device, was confirmed by the ionization position.

A Theoretical Synthesis of Poly(methyl methacrylate) (PMMA) by the Molecular Orbitals Calculation

  • Kim, Jong-Too;Kim, Ui-Rak;Akira Imamura
    • Macromolecular Research
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    • v.8 no.6
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    • pp.292-297
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    • 2000
  • The theoretical synthesis of the isotactic and syndiotactic poly(methyl methacrylate) were carried out as a model for real polymerization reactions following the normal chain reaction processes by repeating the uniform localization of wave functions with inclusion of the interaction between the end group of the cluster and an attaching molecule by the elongation method, and then, the calculated value was compared with the usual PM$_3$ calculation. The results revealed that a reaction of cluster with monomer molecules has made it possible to calculate the electronic structure and total energy of polymer with nearly infinite length and a matrix of constant dimension. The isotactic poly(methyl methacrylate) is more stable than syndiotactic one. The same tendency have been found between the experimentally measured properties and a calculated total energy to explain the chain motion in isotatic and syndiotactic poly(methyl methacrylate).

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