• Title/Summary/Keyword: molecular simulation

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Modeling Virtual Ecosystems that Consist of Artificial Organisms and Their Environment (인공생명체와 그들을 둘러싸는 환경으로 구성 되어지는 가상생태계 모델링)

  • Lee, Sang-Hee
    • Korean Journal of Agricultural and Forest Meteorology
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    • v.12 no.2
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    • pp.122-131
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    • 2010
  • This paper introduces the concept of a virtual ecosystem and reports the following three mathematical approaches that could be widely used to construct such an ecosystem, along with examples: (1) a molecular dynamics simulation approach for animal flocking behavior, (2) a stochastic lattice model approach for termite colony behavior, and (3) a rule-based cellular automata approach for biofilm growth. The ecosystem considered in this study consists of artificial organisms and their environment. Each organism in the ecosystem is an agent that interacts autonomously with the dynamic environment, including the other organisms within it. The three types of model were successful to account for each corresponding ecosystem. In order to accurately mimic a natural ecosystem, a virtual ecosystem needs to take many ecological variables into account. However, doing so is likely to introduce excess complexity and nonlinearity in the analysis of the virtual ecosystem's dynamics. Nonetheless, the development of a virtual ecosystem is important, because it can provide possible explanations for various phenomena such as environmental disturbances and disasters, and can also give insights into ecological functions from an individual to a community level from a synthetic viewpoint. As an example of how lower and higher levels in an ecosystem can be connected, this paper also briefly discusses the application of the second model to the simulation of a termite ecosystem and the influence of climate change on the termite ecosystem.

Phenomenal study on the dopant activation behavior in polysilicon thin films doped by non-mass separated ion mass doping technique (비질량 분리 이온 질량 주입법으로 도핑시킨 다결정 박막의 도판트 활성화 거동)

  • Yoon, Jin-Young;Choi, Duck-Kyun
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.7 no.1
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    • pp.143-150
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    • 1997
  • The electrical properties of polysilicon thin films implanted with $B_2H_6$ diluted in $H_2$ as dopant source using ion mass doping technique and the effect of radiation damage on the dopant activation behavior were investigated. Comparing the SIMS profiles of boron in polysilicon films with that obtained from computer simulation using TRIM92 the most probable ion species were $B_2H_x\;^+$(x=1, 2, 3‥‥) type molecular ions. As a result of the Implantation of energetic massive ions, a continuous amorphized layer was created in polysilicon films where the fraction of amorphized layer varied with doping time. This amorphization comes from the fact that mass separation of implanting species is not employed in this ion mass doping technique. In the dopant activation behavior, reverse annealing phenomenon appeared in the intermediate annealing temperature range for a severely damaged specimen. The experimental result showed that the off-state current of the p-channel polysilicon thin film transistor is dependent on the degree of radiation damage.

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Remediation of Copper-Contaminated Soil using Low Molecular Weight Organic Acid Flushing Technique (저분자량 유기산 세척을 이용한 오염토양으로부터의 Cu제거에 관한 연구)

  • 이기철;강순기;공성호
    • Journal of the Korean Society of Groundwater Environment
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    • v.5 no.1
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    • pp.30-36
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    • 1998
  • For successful soil flushing process selection of appropriate flushing reagents is essential. Futhermore, obtaining operating parameters for site remediation application through various bench-scale tests is also important. In this research a series of organic acids (acetic, citric, oxalic, and succinic acids) were tested for flushing capability. Copper-contaminated natural soil was used as a test medium, and flushing experiments were performed with batch system. All the organic acids used did not provide effective flushing conditions at concentration of 1 mM. At the acid concentration of 50 and 100 mM copper was removed efficiently although 50 and 100 mM did not show any significant differences in removal efficiencies. Citric acid and oxalic acid removed copper more efficiently than the others, and especially, citric acid showed over 87% of removal efficiency of copper at near neutral pH of 5 to 7. Speciation of extracted copper using GEOCHEM simulation showed majority of extracted copper existed as complexed with organic acids and only small portion of organic acids were complexed with copper indicating promising application of soil flushing with organic acid to heavy metal-contaminated site remediation.

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The Effect of Job Stress on Job Satisfaction and Turnover Intention among the Employee of Private Guard (민간경비원의 직무스트레스가 직무만족 및 이직의사에 미치는 영향)

  • Park, Young Jin
    • Proceedings of the Korea Contents Association Conference
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    • 2009.05a
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    • pp.626-632
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    • 2009
  • An Edutainment Contents help the learners to recognize the problems effectively, grasp and classify important information needed to solve the problems and convey the contents of what they have learned. Owing not only to this game-like fun but also to the educational effect, The Edutainment contents can be usefully applied to education and training in the areas of scientific technology and industrial technology. This study proposes the Edutainment that users can apply to biotechnology by using intuitive multi-modal interfaces. In this study, a stereoscopic monitor is used to make three dimensional molecular structures, and multi-modal interface is used to efficiently control. Based on the system, this study easily solved the docking simulation function, which is one of the important experiments, by applying these game factors. For this, we suggested the level-up concept as a game factor that depends on numbers of objects and users.

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A Bio Edutainment Contents System based on Virtual Reality (가상현실 기반의 바이오 교육 콘텐츠)

  • Lee, Jun;Park, SungJun;Kim, HyungSeok;Kim, Jee-In
    • Proceedings of the Korea Contents Association Conference
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    • 2009.05a
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    • pp.59-65
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    • 2009
  • An Edutainment Contents help the learners to recognize the problems effectively, grasp and classify important information needed to solve the problems and convey the contents of what they have learned. Owing not only to this game-like fun but also to the educational effect, The Edutainment contents can be usefully applied to education and training in the areas of scientific technology and industrial technology. This study proposes the Edutainment that users can apply to biotechnology by using intuitive multi-modal interfaces. In this study, a stereoscopic monitor is used to make three dimensional molecular structures, and multi-modal interface is used to efficiently control. Based on the system, this study easily solved the docking simulation function, which is one of the important experiments, by applying these game factors. For this, we suggested the level-up concept as a game factor that depends on numbers of objects and users.

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Damage studies on irradiated tungsten by helium ions in a plasma focus device

  • Seyyedhabashy, Mir mohammadreza;Tafreshi, Mohammad Amirhamzeh;bidabadi, Babak Shirani;Shafiei, Sepideh;Nasiri, Ali
    • Nuclear Engineering and Technology
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    • v.52 no.4
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    • pp.827-834
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    • 2020
  • Damage of tungsten due to helium ions of a PF device was studied. The tungsten was analyzed by SEM and AFM after irradiation. SEM revealed fine bubbles of helium atoms with diameters of a few nanometers, which join and form larger bubbles and blisters on the surface of tungsten. This observation confirmed the results of molecular dynamics simulation. SEM analysis after etching of the irradiated surface indicated cavities with depth range of 35-85 nm. The average fluence of helium ion of the PF device was calculated about 5.2 × 1015 cm-2 per shot, using Lee code. Energy spectrum of helium ions was estimated using a Thomson parabola spectrometer as a function of dN/dE ∝ E-2.8 in the energy range of 10-200 keV. The characteristics of helium ion beam was imported to SRIM code. SRIM revealed that the maximum DPA and maximum helium concentration occur in the depth range of 20-50 nm. SRIM also showed that at depth of 30 nm, all of the tungsten atoms are displaced after 20 shots, while at depth of higher than 85 nm the destruction is insignificant. There is a close match between SRIM results and the measured depths of cavities in SEM images of tungsten after etching.

Study on the Thruster Plume Behaviors using Preconditioned Scheme and DSMC Method (예조건화 기법과 직접모사법을 이용한 추력기 플룸 거동에 관한 연구)

  • Lee, Kyun-Ho;Kim, Su-Kyum;Yu, Myoung-Jong
    • Aerospace Engineering and Technology
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    • v.8 no.1
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    • pp.144-153
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    • 2009
  • To study the plume effects in the rarefied region, the Direct Simulation Monte Carlo(DSMC) method is usually adopted because the plume field usually contains the entire range of flow regime from the near-continuum in the vicinity of nozzle exit through transitional state to free molecular at far field region from the nozzle. The objective of this study is to investigate the behaviors of a small monopropellant thruster plume in the rarefied region numerically using DSMC method. To deduce accurate results efficiently, the preconditioned scheme is introduced to calculate continuum flow fields inside thruster to predict nozzle exit properties used for inlet conditions of DSMC method. By combining these two methods, the rarefied flow characteristics of plume such as strong nonequilibrium near nozzle exit, large back flow region, etc, can be investigated.

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Research on Effective Use of A Serious Bio-Game (기능성 Bio-Game의 활용 방안에 관한 연구)

  • Park, Sung-Jun;Lee, Jun;Kim, Jee-In
    • Journal of Korea Game Society
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    • v.9 no.1
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    • pp.93-103
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    • 2009
  • A Serious Game helps the learners to recognize the problems effectively, grasp and classify important information needed to solve the problems and convey the contents of what they have learned. Owing not only to this game-like fun but also to the educational effect, The Serious Game can be usefully applied to education and training in the areas of scientific technology and industrial technology. This study proposes the Serious Game that users can apply to biotechnology by using intuitive multi-modal interfaces. In this study, a stereoscopic monitor is used to make three dimensional molecular structures, and multi-modal interface is used to efficiently control. Based on a such system, this study easily solved the docking simulation function, which is one of the important experiments, by applying these game factors. For this, we suggested the level-up concept as a game factor that depends on numbers of objects and users. The proposed system was evaluated in performance comparison in result time of a new drug design process on AIDS virus with previous approach.

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Surface Reaction Modeling for Plasma Etching of SiO2 Thin Film (실리콘 산화막의 플라즈마 식각에 대한 표면반응 모델링)

  • Im, YeonHo
    • Korean Chemical Engineering Research
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    • v.44 no.5
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    • pp.520-527
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    • 2006
  • A realistic surface model is presented for prediction of various surface phenomena such as polymer deposition, suppression and sputtering as a function of incidence ion energy in high density fluorocarbon plasmas. This model followed ion enhanced etching model using the "well-mixed" or continuous stirred tank reactor (CSTR) assumption to the surface reaction zone. In this work, we suggested ion enhanced polymer formation and decomposition mechanisms that can capture $SiO_2$ etching through a steady-state polymer film on $SiO_2$ under the suppression regime. These mechanisms were derived based on experimental data and molecular dynamic simulation results from literatures. The model coefficients are obtained from fits to available beam and plasma experimental data. In order to show validity of our model, we compared the model results to high density fluorocarbon plasma etching data.

Alignment System Development for producing OLED using Fourth-Generation Substrate

  • Park, Jae-Yong;Han, Seok-Yoon;Lee, Nam-Hoon;Choi, Jeong-Og;Shin, Ho-Seon
    • 한국정보디스플레이학회:학술대회논문집
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    • 2008.10a
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    • pp.873-878
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    • 2008
  • Doosan Mecatec has developed alignment system for Organic Light-Emitting Diode (OLED) display production using large size substrate. In the present article, The alignment system between the substrate and the mask, which is a core technology for producing the OLED product using the fourth-generation substrate with $730{\times}920mm^2$ or more, will be described by dividing into a substrate loader, a magnet unit, a CCD camera, etc. The substrate loader is optimized through the simulation where the central portion of the substrate droops by about 1.5mm by clamping each of a long side (920mm direction) and a short side (730mm direction) thereof by 6 point and 4 point. A magnet unit using a sheet type of rubber magnet is constituted and a CCD camera model with the specifications capable of minimizing the errors between a clear image and the same image is selected. The system to which an upward evaporation technique of small molecular organic materials will be applied has been developed so that repeatability and position accuracy becomes ${\pm}1{\mu}m$ or less using an UVW type of stage. Also, the vision accuracy of the CCD camera becomes ${\pm}1{\mu}m$ or less and the align process TACT becomes 30sec. or less so that the final alignment accuracy between the substrate and the mask becomes ${\pm}3{\mu}m$ or less. In order to meet an extra-large glass substrate, an evaporation system using an extra-large AMOLED substrate has been developing through a vertical type of an alignment system.

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