• 제목/요약/키워드: E3 Dynamics

검색결과 354건 처리시간 0.031초

Using Harmonic Analysis and Optimization to Study Macromolecular Dynamics

  • Kim Moon-K.;Jang Yun-Ho;Jeong Jay-I.
    • International Journal of Control, Automation, and Systems
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    • 제4권3호
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    • pp.382-393
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    • 2006
  • Mechanical system dynamics plays an important role in the area of computational structural biology. Elastic network models (ENMs) for macromolecules (e.g., polymers, proteins, and nucleic acids such as DNA and RNA) have been developed to understand the relationship between their structure and biological function. For example. a protein, which is basically a folded polypeptide chain, can be simply modeled as a mass-spring system from the mechanical viewpoint. Since the conformational flexibility of a protein is dominantly subject to its chemical bond interactions (e.g., covalent bonds, salt bridges, and hydrogen bonds), these constraints can be modeled as linear spring connections between spatially proximal representatives in a variety of coarse-grained ENMs. Coarse-graining approaches enable one to simulate harmonic and anharmonic motions of large macromolecules in a PC, while all-atom based molecular dynamics (MD) simulation has been conventionally performed with an aid of supercomputer. A harmonic analysis of a macroscopic mechanical system, called normal mode analysis, has been adopted to analyze thermal fluctuations of a microscopic biological system around its equilibrium state. Furthermore, a structure-based system optimization, called elastic network interpolation, has been developed to predict nonlinear transition (or folding) pathways between two different functional states of a same macromolecule. The good agreement of simulation and experiment allows the employment of coarse-grained ENMs as a versatile tool for the study of macromolecular dynamics.

다준위 원자의 레이저 냉각 및 펌핑 (Laser Cooling and Pumping of Multilevel Atoms)

  • 장수;권택용;이호성
    • 한국광학회:학술대회논문집
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    • 한국광학회 2000년도 하계학술발표회
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    • pp.64-66
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    • 2000
  • Theoretical foundations of atom dynamics in laser fields are reviewed in relation with applications to laser spectroscopy, control of atomic motion, atom traps and frequency standards. Quasiclassical kinetic equations are applied to multilevel atomic schemes interacting with counter-propagating laser waves to describe the properties of atomic populations and coherence and the time evolution of atomic distribution function. Basic types of the dipole radiation forces on atoms are discussed for the realistic cases of multilevel dipole interaction schemes such as 3(g)+5(e), 3(g)+3(e), 5(g)+3(e), 5(g)+7(e), 3(g)+3(e)+5(e) and 1(g)+3(g)+3(e)+5(e).

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Accumulated organic matter, litterfall production, and decomposition tell us the status of litter dynamics in forests

  • Kim, Jae-Geun
    • Journal of Ecology and Environment
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    • 제35권2호
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    • pp.99-109
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    • 2012
  • Litterfall dynamics in forests are assessed by estimating biomass production and decomposition. However, there have been few studies on how litter dynamics impact the health and management of ecosystems. Here, a new approach to measure and assess ecosystem function is presented based on conventional methods using littertraps, litterbags, and the mass on the forest floor. To assess the status of litter dynamics, the decay rate (k) was estimated from a litterbag experiment, and removal rates ($k_i$) were determined from mass balance on the forest floor at 21 sites on three mountains in South Korea. The $k_3$ (organic mass ratio of $O_i$ and $O_e+O_a$ + A horizons in November) values in an equilibrium state in South Korea were within the range of $k{\pm}0.174$ when considering the annual variation of litterfall production. This study also suggests that sampling sites for these types of studies should be in the middle, not at the ends, of steady slopes on the forest floor.

Analysis of Global Food Market and Food-Energy Price Links: Based on System Dynamics Approach

  • 김규림
    • 한국시스템다이내믹스연구
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    • 제10권3호
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    • pp.105-124
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    • 2009
  • The situation of the global food markets has been being rapidly restructured and entering on a new phase by new dynamic and driving forces. The factors such as economic growth and income increase, high energy price, globalization, urbanization, and global climate change are transforming patterns of food consumption, production, and markets. The prices and markets of world food and energy are getting increasingly linked each other. Food and fuel are the global dilemma issues associated with the risk of diverting farmland or of consuming cereals for biofuel production in detriment of the cereals supply to the global food markets. An estimated 100 million tons of grain per year are being redirected from food to fuel. Therefore, the objectives of this study are as follows: Firstly, the study examines situations of the world food and energy resources, analyzes the trends of prices of the crude oil and biofuel, and formulates the food-energy links mechanism. Secondly, the study builds a simulation model, based on system dynamics approach, for not only analyzing the global cereals market and energy market but also forecasting the global production, consumption, and stock of those markets by 2030 in the future. The model of this study consists of four sectors, i.e., world population dynamics sector, global food market dynamics sector, global energy market dynamics sector, scenario sector of world economic growth and oil price.

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Si(001)에 흡착되는 NO에 대한 제일원리 분자동역학 연구 (First-principles molecular dynamics study of NO adsorption on Si(001))

  • 정석민
    • 한국진공학회지
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    • 제14권2호
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    • pp.97-102
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    • 2005
  • 제일원리 분자동역학 방법을 이용하여 Si(001) 표면에 NO 분자 흡착을 연구하였다. NO 분자가 Si(001)의 dimer축과 나란히 흡착될 경우에 50K에서도 분해가 일어났다. 이를 에너지 장벽으로 환산해 보면 0.006eV로서 거의 무시해도 좋을 정도이다 만일 NO 분자가 표면에 수직으로 들어오면 이웃에 있는 dimer에 걸쳐서 분해가 일어났다. 이 경우는 에너지 장벽은 0.08eV 정도였으며 여전히 낮은 수준이다. 분해가 된 산소분자는 dimer와 기판 사이의 backbend로 파고들어서 (에너지 장벽 0.007eV) 안정된 구조를 만들었다. 또 dimer에 나란히 흡착된 분자 상태의 경우는 N=Si_3$를 만들기도 하는데 속전자준위분광학(core level spectroscopy) 실험 결과와 일치한다.

Performance Improvement of High Speed Jet Fan

  • Choi, Young-Seok;Kim, Joon-Hyung;Lee, Kyoung-Yong;Yang, Sang-Ho
    • International Journal of Fluid Machinery and Systems
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    • 제3권1호
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    • pp.39-49
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    • 2010
  • In this paper, a numerical study has been carried out to investigate the influence of jet fan design variables on the performance of a jet fan. In order to achieve an optimum jet fan design and to explain the interactions between the different geometric configurations in the jet fan, three-dimensional computational fluid dynamics and the DOE method have been applied. Several geometric variables, i.e., hub-tip ratio, meridional shape, rotor stagger angle, number of rotor-stator blades and stator geometry, were employed to improve the performance of the jet fan. The objective functions are defined as the exit velocity and total efficiency at the operating condition. Based on the results of computational analyses, the performance of the jet fan was significantly improved. The performance degradations when the jet fan is operated in the reverse direction are also discussed.

시스템 다이내믹스를 이용한 하수재이용 유역의 일유출량 모의 (Modeling Daily Streamflow in Wastewater Reused Watersheds Using System Dynamics)

  • 정한석;성충현;박승우
    • 한국농공학회논문집
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    • 제56권6호
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    • pp.45-53
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    • 2014
  • This study presents a system dynamics modeling approach to simulate daily streamflow in a watershed including wastewater treatment plant which contributes to irrigation water supply. The conceptual system dynamics model considering the complex and dynamic hydrological processes in the watershed was developed. The model was calibrated and validated each for two years based on observed flow data. Model performances in terms of $E_{NS}$, RSR, PBIAS, and $R^2$ were 0.64, 0.60, -3.6 %, and 0.64 for calibration period, and 0.66, 0.58, -2.6 %, and 0.66 for validation period, respectively, showing an applicability on generating the daily streamflow. System dynamics modeling approach could help better understand the hydrological behavior of the watershed being reused wastewater for agriculture, by providing graphical dynamics of the hydrological processes as well as conventional rainfall-runoff model results.

Zinc Blende 구조를 가지는 ZnSe 결정의 밴드 특성에 관한 연구 (A Study on the Band Characteristics of ZnSe Thin Film with Zinc-blende Structure)

  • 박정민;김환동;윤도영
    • 전기화학회지
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    • 제14권3호
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    • pp.145-151
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    • 2011
  • ZnSe는 가시광선 영역에서 넓은 밴드갭을 가지고 있는 II-VI족 화합물 반도체 소자로서 레이저 다이오드, 디스플레이 그리고 태양전지와 같은 다양한 응용분야에 적용되고 있다. 본 연구에서는 전기화학적 전착방법을 이용하여 ITO 전극상에 ZnSe 박막을 합성하여, XRD와 SEM으로 ZnSe 결정의 합성과 zinc blende 구조의 형태를 관측하였고, UV 분광기를 활용하여 밴드갭을 측정한 결과 2.76 eV이었다. 또한, 분자동역학에서 활용되는 밀도범함수 이론 (DFT, Density Functional Theory)을 도입하여 ZnSe 결정에 대한 밴드 구조의 해석을 수행하였다. Zinc blende구조를 갖는 ZnSe 결정에 대하여 LDA (Local Density Approximation), PBE (Perdew Burke Ernzerhof), 그리고 B3LYP (Becke, 3-parameter, Lee-Yang-Parr) 범함수를 이용하여 밴드구조와 상태밀도 (Density of State)를 모사하였다. 각각의 경우에 대해 에너지 밴드갭을 구한 결과, B3LYP 범함수로 해석한 경우에 실험치와 근사치인 2.65 eV의 밴드갭을 보여주었다.

군산연안 동죽 개체군의 동태에 관한 연구 I. 성장 (Studies on the Population Dynamics of Surf Clam, Mactra veneriformis Reeve ( Bivalvia ) in the Coast of Kunsan, Korea I. Growth)

  • 류동기;김용호
    • 한국패류학회지
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    • 제13권2호
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    • pp.185-192
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    • 1997
  • 1990젼 3월부터 1991년 2월까지 전라북도 군산시 내초도 연안에 서식하는 동죽의 성장을 조사하였다. 1.조사해역의 연간 수온분포는 2.0-26.3$^{\circ}C$이고, 간석지 온도는 0.7-36.2$^{\circ}C$이었다. 2. 동죽의 패각에 나타나는 윤문은 연 1회 형성되며 윤문 형성시기는 3-4월로 조사되었다. 3. 초륜 형성기간은 9개월(0.75년)로 나타났다. 4. 각장(SL: mm)과 체중(TW: G)간의 관계는 TW=1.090 x $10^{-4}$ S $L^{3.2798}$( $r^{2}$=0.99)이었으며, 각장과 각고(SH:mm)간의 관계는 SH=0.865 SL + 0.250( $r^{2}$=0.99)이고, 각장과 각폭(SW: mm) 간의 관계는 SW=0.599 SL - 0.203 ( $r^{2}$=0.98; 각장 22 mm미만), SW=0.724 SL - 2.796( $r^{2}$=0.91; 각장 22 mm이상)이었다.5. 연령(t)에 대한 각장(S $L_{t}$ )의 Bertalanffy성장식은 $L_{t}$ =51.399(1- $e^{0.585}$8(t+0.064)이고, 연령(t)에 대한 체중 (T $W_{t}$ )의 Bertalanffy성장식은 $W_{t}$ =44.467(1- $e^{0.585}$8(t+0.064)$^{3}$로 나타났다.타났다.

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