• Title/Summary/Keyword: E3 Dynamics

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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.

Modeling on Ratio-Dependent Three-Trophic Population Dynamics Responding to Environmental Impacts (외부 환경영향에 대한 밀도비 의존 3영양단계의 개체군 동태 모델)

  • Lee, Sang-Hee;Choi, Kyung-Hee;Chon, Tae-Soo
    • Korean Journal of Ecology and Environment
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    • v.37 no.3 s.108
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    • pp.304-312
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    • 2004
  • The transient dynamics of three-trophic populations (prey, predator, and super predator) using ratio-dependent models responding to environmental impacts is analyzed. Environmental factors were divided into two parts: periodic factor (e.g., temperature) and general noise. Periodic factor was addressed as a frequency and bias, while general noise was expressed as a Gaussian distribution. Temperature bias ${\varepsilon}$, temperature frequency ${\Omega}$, and Gaussian noise amplitude ${\`{O}}$ accordingly revealed diverse status of population dynamics in three-trophic food chain, including extinction of species. The model showed stable limit cycles and strange attractors in the long-time behavior depending upon various values of the parameters. The dynamic behavior of the system appeared to be sensitive to changes in environmental input. The parameters of environmental input play an important role in determining extinction time of super predator and predator populations.

A Discrete Mathematical Model Applied to Genetic Regulation and Metabolic Networks

  • Asenjo, J.A.;Ramirez, P.;Rapaport, I.;Aracena, J.;Goles, E.;Andrews, B.A.
    • Journal of Microbiology and Biotechnology
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    • v.17 no.3
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    • pp.496-510
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    • 2007
  • This paper describes the use of a discrete mathematical model to represent the basic mechanisms of regulation of the bacteria E. coli in batch fermentation. The specific phenomena studied were the changes in metabolism and genetic regulation when the bacteria use three different carbon substrates (glucose, glycerol, and acetate). The model correctly predicts the behavior of E. coli vis-a-vis substrate mixtures. In a mixture of glucose, glycerol, and acetate, it prefers glucose, then glycerol, and finally acetate. The model included 67 nodes; 28 were genes, 20 enzymes, and 19 regulators/biochemical compounds. The model represents both the genetic regulation and metabolic networks in an integrated form, which is how they function biologically. This is one of the first attempts to include both of these networks in one model. Previously, discrete mathematical models were used only to describe genetic regulation networks. The study of the network dynamics generated 8 $(2^3)$ fixed points, one for each nutrient configuration (substrate mixture) in the medium. The fixed points of the discrete model reflect the phenotypes described. Gene expression and the patterns of the metabolic fluxes generated are described accurately. The activation of the gene regulation network depends basically on the presence of glucose and glycerol. The model predicts the behavior when mixed carbon sources are utilized as well as when there is no carbon source present. Fictitious jokers (Joker1, Joker2, and Repressor SdhC) had to be created to control 12 genes whose regulation mechanism is unknown, since glycerol and glucose do not act directly on the genes. The approach presented in this paper is particularly useful to investigate potential unknown gene regulation mechanisms; such a novel approach can also be used to describe other gene regulation situations such as the comparison between non-recombinant and recombinant yeast strain, producing recombinant proteins, presently under investigation in our group.

Overturning of rocking rigid bodies under transient ground motions

  • Sorrentino, Luigi;Masiani, Renato;Decanini, Luis D.
    • Structural Engineering and Mechanics
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    • v.22 no.3
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    • pp.293-310
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    • 2006
  • In seismic prone areas it is possible to meet very different objects (equipment components, on shelf artefacts, simple architectural elements) that can be modelled as a rigid body rocking on a rigid foundation. The interest in their behaviour can have different reasons: seismological, in order to estimate the ground motion intensity, or more strictly mechanical, in order to limit the response severity and to avoid overturning. The behaviour of many rigid bodies subjected to twenty wide ranging acceleration recordings is studied here. The response of the blocks is described using kinematic and energy parameters. A condition under which a so called scale effect is tangible is highlighted. The capacity of the signals to produce overturning is compared to different ground motion parameters, and a good correlation with the Peak Ground Velocity is unveiled.

Factors influencing population dynamics of herons in rice paddy at different time scales (다른 시간 단위에서 백로류 개체군 변동과 그 결정 요인)

  • Nam, Hyung-Kyu;Kim, Myung-Hyun;Kwon, Soon-Ik;Eo, Jinu;Song, Young-Ju
    • Journal of Wetlands Research
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    • v.20 no.3
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    • pp.256-262
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    • 2018
  • Multiple temporal scale can be a useful method to understand population dynamics in ecosystem. The multi-temporal scale approach for population dynamics has rarely been researched till lately. This study was carried out to identify the factors in affecting the population dynamics of herons, including Eastern Cattle Egret (Bubulcus coromadus), Grey Heron (Ardea cinerea), Great Egret (A. alba), Intermediate Egret (Egretta intermedia) and Little Egret (E. garzetta), at rice paddy fields of Seokmun-myeon in the city of Dangjin, South Chungcheong Province during the main breeding periods from 2014 to 2017. We identified the population dynamics of herons at different time interval (day and month) using the unmanned monitoring system. As a result, monthly population dynamics was mostly affected by time, mean temperature and mean precipitation, whereas daily population dynamics was affected by mean temperature and habitat types. The results suggest that there are differences in the factors affecting the population dynamics of herons according to the time scale.

Effects of Low Temperature on Nitrate Uptake and Accumulation of Nitrogenous Compound in Fall-Sowing Species (추파 청예작물의 저온 조건이 질산태 질소의 흡수와 식물조직내의 질소 화합물의 함량에 미치는 영향)

  • Kim, Tae-Hwan;Kim, Byung-Ho
    • Journal of The Korean Society of Grassland and Forage Science
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    • v.17 no.3
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    • pp.223-230
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    • 1997
  • The experiments were undertaken to investigate the dynamics of $NO_3\;^-$ uptake at low temperature with forage rape(Bmssica napus), barle(Hordeum vulgare) and winter rye (Scale cereale). A net $NO_3\;^-$uptake and the contents of nitrogenous compound in tissues at low temperature ($5^{\circ}C$) were compared with normal temperature ($25^{\circ}C$).The net uptake of $NO_3\;^-$ by Brass ica nqus was the highest among three species at both temperature applied. During 9 hours after temperature treatment, $NO_3\;^-$ uptake of Brassica napus, Hordeum vulgm and Scale c e d e grown at $5^{\circ}C$ decreased to about 31, 50 and 27% compared with those grown at $25^{\circ}C$. $NO_3\;^-$ contents in roots were much sensitively affected by low temperature than those of leaves. Comparing with the plants grown at $25^{\circ}C$, $NO_3\;^-$ contents in roots of increased to 48.3, 38.7 and 53.5% repectively, for Brassica napus, Hordeum vulgare and Scale cereale during 9 days. A relatively less changes in the content of $NH_4\;^+$-N were observed according to the temperature treatment. The ontents of amino acids-N in leaves at $5^{\circ}C$ slightly decreased while that of roods remarkably increased compared with $25^{\circ}C$. Protein-N was the largest pool of nitrogen and its contents in leaves and roots showed a similar response on the temperature treatment. These results suggested that $NO_3\;^-$uptake was inhibited at low temperature. The dynamics of $NO_3\;^-$ uptake could be closely related to the increased concentration of $NO_3\;^-$ and amino acids in roots.

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The Economic Impact of Electronic Commerce Using Simulation Approach (시뮬레이션 기법을 이용한 전자상거래 도입에 따른 경제적 효과분석)

  • Sohn, Young-Woo;Whang, Kyu-Seung
    • Asia pacific journal of information systems
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    • v.13 no.3
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    • pp.23-39
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    • 2003
  • Recently, many organizations in various industries have introduced e-business for the purpose of adding value to their business. But, the e-business model has not existed before and so, it is difficult to analyze clear effectiveness. It frequently does not live up to an organization's expectations. It is due to an absence of environmental changes analysis in the new model, not by a new model itself. System Dynamics(SD) may provide effective results as a tool of analysis for the new model. This research shows the analysis of the effects of a simulated e channel model, which was expanded from existing channel modeling with actual data in basic materials industries. The results show average prices increasing by auction process on the e-market and an increase in sales. So, by increasing the speed of sale revolution stock expenses are reduced. Additionally, we applied a possible scenario to the developed simulation model and investigated strategic issues to draw desirable strategies with market changes.

Ad-hoc vibration monitoring system for a stress-ribbon footbridge: from design to operation

  • Iban, Norberto;Soria, Jose M.;Magdaleno, Alvaro;Casado, Carlos;Diaz, Ivan M.;Lorenzana, Antolin
    • Smart Structures and Systems
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    • v.22 no.1
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    • pp.13-25
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    • 2018
  • Pedro $G{\acute{o}}mez$ Bosque footbridge is a slender and lightweight structure that creates a pedestrian link over the Pisuerga River, Valladolid, Spain. This footbridge is a singular stress ribbon structure with one span of 85 m consisting on a steel plate and precast concrete slabs laying on it. Rubber pavement and a railing made of stainless steel and glass complete the footbridge. Because of its lively dynamics, prone to oscillate, a simple and affordable structural health monitoring system was installed in order to continuously evaluate its structural serviceability and to estimate its modal parameters. Once certain problems (conditioning and 3D orientation of the triaxial accelerometers) are overcome, the monitoring system is validated by comparison with a general purpose laboratory portable analyzer. Representative data is presented, including acceleration magnitudes and modal estimates. The evolution of these parameters has been analysed over one-year time.

Analysis on Aerodynamic Characteristics of Drying Process in R2R Printed Electronics (롤투롤 전자인쇄 건조공정의 공기역학적 특성분석)

  • Seo, Yang-Ho;Chang, Young-Bae;Kim, Chang-Wan
    • Journal of the Korean Society for Precision Engineering
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    • v.27 no.3
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    • pp.95-103
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    • 2010
  • Roll to Roll (R2R) is one of the most promising production technologies in the printed electronics such as OLEDs, e-paper, backplanes, RFID because this technology can save production cost and increase production speed. Printed electronics includes various processes such as printing, drying, winding, unwinding, and so on. In printed electronics R2R system, air-flotation oven is employed for drying process. Therefore, it is essential to introduce efficient and fast drying process when printing is finished. This paper considers the analysis of drying process in R2R that involves hot air flow. Air-flotation oven consists of non-contact supports and drying of coated web materials such as plastic films and paper. In this paper, experimental results and numerical analysis of pressure-pad air bar are investigated. The aerodynamic characteristics of pressure-pad air bar are numerically calculated using computational fluid dynamics (CFD) approach. Then the measured values of the aerodynamic forces for air bars are compared with those of CFD analysis.

Molecular Modeling of Complexation Behavior of p-tert-Butylcalix[5]arene Derivative toward Butylammonium Ions

  • Choe, Jong-In;Chang, Suk-Kyu
    • Bulletin of the Korean Chemical Society
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    • v.23 no.1
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    • pp.48-52
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    • 2002
  • Using several molecular modeling programs we have performed computer simulations to investigate the complexation behaviors of an ester derivative of p-tert-butylcalix[5]arene (1e) toward a variety of butylammonium ions. Semi-empirical AM1 method was used for calculating the binding energies and the formation enthalpies. MM and CVFF forcefields for molecular mechanics calculations were adapted to express the complexation energies of the host. Molecular dynamics were performed to the calculated complex systems to simulate the ionophoric behavior of the host-guest complexes. The absolute Gibbs free energies of the host (1e) complexed with four kinds of butylammonium ions have been calculated using the Finite Difference Thermodynamic Integration (FDTI) method in Discover. Calculation results show that the trend in complex formation is n-$BuNH_3^+$ > iso-$BuNH_3^+$ >> sec-$BuNH_3^+$ > tert-$BuNH_3^+$, which is in good agreement with the experimental results.