• Title/Summary/Keyword: Structure and dynamics

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Computational Fluid Dynamics on The Grid Computing Environment (그리드 컴퓨팅 환경을 이용할 전산 유체 해석)

  • Sung Chun-ho;Cho Kum Won;Park Hyungwoo;Lee Sangsan;Kim Dae-Hee;Kwon Jang Hyuk
    • 한국전산유체공학회:학술대회논문집
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    • 2002.10a
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    • pp.71-77
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    • 2002
  • The grid technology is believed to be the next generation research tool for both computational and experimental scientists. With advanced network technologies and middleware, geographically distributed facilities can be tightly connected to provided a huge amount of resources or remote accessibility, In this paper, an overview of grid technology will be introduced with an emphasis in application to computational fluid dynamics. The computational fluid dynamics, which involves solution of partial differential equations, is basically limited by the computing power, With the grid technology, virtually unlimited resources are provided. The schematic structure of middleware and grid environment, as well as some preliminary results are presented.

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Dynamics and instability of the Karman wake mode induced by periodic forcing

  • Mureithi, Njuki W.
    • Wind and Structures
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    • v.7 no.4
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    • pp.265-280
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    • 2004
  • This paper presents some fundamental results on the dynamics of the periodic Karman wake behind a circular cylinder. The wake is treated like a dynamical system. External forcing is then introduced and its effect investigated. The main result obtained is the following. Perturbation of the wake, by controlled cylinder oscillations in the flow direction at a frequency equal to the Karman vortex shedding frequency, leads to instability of the Karman vortex structure. The resulting wake structure oscillates at half the original Karman vortex shedding frequency. For higher frequency excitation the primary pattern involves symmetry breaking of the initially shed symmetric vortex pairs. The Karman shedding phenomenon can be modeled by a nonlinear oscillator. The symmetrical flow perturbations resulting from the periodic cylinder excitation can also be similarly represented by a nonlinear oscillator. The oscillators represent two flow modes. By considering these two nonlinear oscillators, one having inline shedding symmetry and the other having the Karman wake spatio-temporal symmetry, the possible symmetries of subsequent flow perturbations resulting from the modal interaction are determined. A theoretical analysis based on symmetry (group) theory is presented. The analysis confirms the occurrence of a period-doubling instability, which is responsible for the frequency halving phenomenon observed in the experiments. Finally it is remarked that the present findings have important implications for vortex shedding control. Perturbations in the inflow direction introduce 'control' of the Karman wake by inducing a bifurcation which forces the transfer of energy to a lower frequency which is far from the original Karman frequency.

Computational Analysis of the 3-D structure of Human GPR87 Protein: Implications for Structure-Based Drug Design

  • Rani, Mukta;Nischal, Anuradha;Sahoo, Ganesh Chandra;Khattri, Sanjay
    • Asian Pacific Journal of Cancer Prevention
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    • v.14 no.12
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    • pp.7473-7482
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    • 2013
  • The G-protein coupled receptor 87 (GPR87) is a recently discovered orphan GPCR which means that the search of their endogenous ligands has been a novel challenge. GPR87 has been shown to be overexpressed in squamous cell carcinomas (SCCs) or adenocarcinomas in lungs and bladder. The 3D structure of GPR87 was here modeled using two templates (2VT4 and 2ZIY) by a threading method. Functional assignment of GPR87 by SVM revealed that along with transporter activity, various novel functions were predicted. The 3D structure was further validated by comparison with structural features of the templates through Verify-3D, ProSA and ERRAT for determining correct stereochemical parameters. The resulting model was evaluated by Ramachandran plot and good 3D structure compatibility was evidenced by DOPE score. Molecular dynamics simulation and solvation of protein were studied through explicit spherical boundaries with a harmonic restraint membrane water system. A DRY-motif (Asp-Arg-Tyr sequence) was found at the end of transmembrane helix3, where GPCR binds and thus activation of signals is transduced. In a search for better inhibitors of GPR87, in silico modification of some substrate ligands was carried out to form polar interactions with Arg115 and Lys296. Thus, this study provides early insights into the structure of a major drug target for SCCs.

Pattern and process in MAEUL, a traditional Korean rural landscape

  • Kim, Jae-Eun;Hong, Sun-Kee
    • Journal of Ecology and Environment
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    • v.34 no.2
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    • pp.237-249
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    • 2011
  • Land-use changes due to the socio-economic environment influence landscape patterns and processes, which affect habitats and biodiversity. This study considers the effects of such land-use changes, particularly on the traditional rural "Maeul" forested landscape, by analyzing landscape structure and vegetation changes. Three study areas were examined that have seen their populations decrease and age over the last few decades. Five types of plant life-forms (Raunkier life-forms) were distinguished to investigate ecosystem function. Principle component analysis was used to understand vegetation dynamics and community characteristics based on a vegetation similarity index. Ordination analysis transformed species-coverage data was introduced to clarify vegetation dynamics. Landscape indices, such as area metrics, edge metrics, and shape metrics, showed that spatial heterogeneity has increased over time in all areas. Pinus densiflora was the main land-use plant type in all study areas but decreased over time, whereas Quercus spp. increased. Over a decade, P. densiflora communities shifted to deciduous oak and plantation. These findings indicate that the impact of human activities on the Maeul landscape is twofold. While forestry activities caused heavy disturbances, the abandonment of traditional human activities has led to natural succession. Furthermore, it can be concluded that the type and intensity of these human impacts on landscape heterogeneity relate differently to vegetation succession. This reflects the cause and consequence of patch dynamics. We discuss an approach for sustainable landscape planning and management of the Maeul landscape based on traditional management.

Multi-Input Multi-Output Nonlinear Autopilot Design for Ship-to-Ship Missiles

  • Im Ki-Hong;Chwa Dong-Kyoung;Choi Jin-Young
    • International Journal of Control, Automation, and Systems
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    • v.4 no.2
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    • pp.255-270
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    • 2006
  • In this paper, a design method of nonlinear autopilot for ship-to-ship missiles is proposed. Ship-to-ship missiles have strongly coupled dynamics through roll, yaw, and pitch channel in comparison with general STT type missiles. Thus it becomes difficult to employ previous control design method directly since we should find three different solutions for each control fin deflection and should verify the stability for more complicated dynamics. In this study, we first propose a control loop structure for roll, yaw, and pitch autopilot which can determine the required angles of all three control fins. For yaw and pitch autopilot design, missile model is reduced to a minimum phase model by applying a singular perturbation like technique to the yaw and pitch dynamics. Based on this model, a multi-input multi-output (MIMO) nonlinear autopilot is designed. And the stability is analyzed considering roll influences on dynamic couplings of yaw and pitch channel as well as the aerodynamic couplings. Some additional issues on the autopilot implementation for these coupled missile dynamics are discussed. Lastly, 6-DOF (degree of freedom) numerical simulation results are presented to verify the proposed method.

Molecular Dynamics (MD) Study of Polymeric Membranes for Gas Separation (기체 분리용 고분자 분리막의 분자동력학 연구)

  • Park, Chi Hoon;Kim, Deuk Ju;Nam, Sang Yong
    • Membrane Journal
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    • v.24 no.5
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    • pp.341-349
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    • 2014
  • Molecular dynamics (MD) computer simulation is a very useful tool to calculate the trajectory and velocity of particles (generally, atoms), and thus to analyze the various structures and kinetic properties of atoms and molecules. For gas separation membranes, MD has been widely used for structure analysis of polymers such as free volume analysis and conformation search, and for the study of gas transport behavior such as permeability and diffusivity. In this paper, general methodology how to apply MD on gas separation membranes will be described and various related researches will be introduced.

Climate Resilience Assessment of Agricultural Water System Using System Dynamics Model (시스템다이내믹스 모델을 이용한 농업용수 시스템의 기후 복원력 평가)

  • Choi, Eunhyuk
    • Journal of The Korean Society of Agricultural Engineers
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    • v.63 no.4
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    • pp.65-86
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    • 2021
  • This study aims at testing a hypothesis that the resilience of agricultural water systems is characterized by trade-offs and synergies of effects from climate and socioeconomic change. To achieve this, an Agricultural Water System Climate Resilience Assessment (ACRA) framework is established to evaluate comprehensive resilience of an agricultural water system to the combined impacts of the climate and socioeconomic changes with a case study in South Korea. Understanding dynamic behaviors of the agricultural water systems under climate and socioeconomic drivers is not straightforward because the system structure includes complex interactions with multiple feedbacks across components in water and agriculture sectors and climate and socioeconomic factors, which has not been well addressed in the existing decision support models. No consideration of the complex interactions with feedbacks in a decision making process may lead to counterintuitive and untoward evaluation of the coupled impacts of the climate and socioeconomic changes on the system performance. In this regard, the ACRA framework employs a System Dynamics (SD) approach that has been widely used to understand dynamics of the complex systems with the feedback interactions. In the ACRA framework applied to the case study in South Korea, the SD model works along with HOMWRS simulation. The ACRA framework will help to explore resilience-based strategies with infrastructure investment and management options for agricultural water systems.

Structure of Water Molecules inside Nanotubes with Varying Hydrophobicity Using Mole cular Dynamics Simulation (분자동역학 기법을 이용한 나노튜브의 소수성 또는 친수성에 의한 내부 물 분자의 구조 연구)

  • Kim, Dae-Joong;Wangperawong, Artit;Darve, Eric
    • 한국전산유체공학회:학술대회논문집
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    • 2008.03b
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    • pp.660-661
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    • 2008
  • Nanotubes fabricated with diverse materials show different hydrophobic properties. The hydrophobic property is one of key properties for possible applications to ion channels due to their affinity. This study focuses on the structures of water molecules inside nanotubes with varying hydrophobicity using molecular dynamics simulation. Hydrophobicity here is determined by varying the attraction term in Lennard-Jones potential. The number of water molecules inside hydrophilic nanotubes increase, as expected, and their mobilities also increase. This trend is rather discrete with increasing number of water molecules and this discreteness is attributed to hydrogen bond. We plan to perform energy analysis to understand these structural results.

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System Dynamics Approach to IT/IS Outsourcing in the context of the Perspective of Knowledge Management

  • Yeon, Seong-Jun
    • Korean System Dynamics Review
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    • v.7 no.1
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    • pp.229-243
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    • 2006
  • In recent years, due to a lack of expertise, many organizations have been devoting large portions of their budget to outsourcing. Outsourcing is now often regarded as a solution for all problems. However, the lack of clear understanding of the effectiveness of outsourcing could lead to many problems in organizations even though outsourcing is known to provide advantages to some organizations. Moreover, outsourcing could have a negative effect on knowledge management in some aspects. There have been and continue to be numerous studies into outsourcing; however, their findings primarily relate to cost reduction in short-term. Regardless of increasing demands on outsourcing and the importance of knowledge management, little research has focused on decision-making structure from knowledge management perspective. This paper attempted to quickly identify promising movements with potentially significant effects on IT/IS outsourcing.

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Molecular dynamics study of silicon nanotubes (실리콘 나노튜브에 관한 분자동력학 연구)

  • 강정원;변기량;황호정
    • Journal of the Korean Vacuum Society
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    • v.12 no.4
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    • pp.281-287
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    • 2003
  • We have performed classical molecular dynamics simulations for hypothetical silicon nanotubes using the Tersoff potential. Our investigation presented a systematic study about the thermal behavior of hypothetical silicon nanotubes and showed the difficulty in Producing silicon nanotubes or graphitelike sheets. Through the investigations on the structure and properties of a double-wall silicon nanotube, we concluded that quasi-one dimensional structures consisting of silicon atoms become nanowires or multi wall nanotubes rather than single wall nanotubes in order to minimize the number of $sp^2$ bonds.