• Title/Summary/Keyword: SW Theory

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이온통로에서 음이온 투과성 연구

  • Seo, Bong-Im;Sim, Eun-Ji
    • Proceeding of EDISON Challenge
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    • 2014.03a
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    • pp.287-299
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    • 2014
  • Bicarbonate anion ($HCO_3{^-}$) takes the role of major buffer systems in our body by maintaining the pH at 7.4. Epithelial $HCO_3{^-}$ secretion also hydrolyzes the mucus which protects body from noxious infections. It has been widely known that such infections are closely related to $HCO_3{^-}$ permeability through membrane and, thus, increasing the $HCO_3{^-}$ permeability is essential. To evaluate the $HCO_3{^-}$ permeability through ion channels, the free energy changes relevant to ion pumping are calculated with the Integral Equation Formalism-PCM (IEF-PCM) theory. Molecular structures of various anions including $HCO_3{^-}$ were optimized with the density functional theory at the level of B3LYP/6-311++G(d,p) in gas and solution phase. In addition, the anion permeability is significantly influenced by the relative size of the anion and pore. We introduce a shifted volume factor model that describes the pore size effect when the charged solutes transfer through ion channels. We found excellent agreement between experimental and calculated permeability when our novel model of the size effect was taken into account to.

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Dissociation Curves of diatomic molecules and anions: A DC-DFT Study (밀도교정 밀도범함수를 이용한 이원자분자의 해리곡선 연구)

  • Go, Dong-Hyeok;Park, Han-Sol;Kim, Min-Cheol;Sim, Eun-Ji
    • Proceeding of EDISON Challenge
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    • 2014.03a
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    • pp.115-125
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    • 2014
  • We investigate dissociation of diatomic molecules and anions using density functional theory (DFT) and density-corrected density functional theory (DC-DFT). We scan the potential energy curve of CH, NH and NO neutral molecule and its anion with both DFT and DC-DFT (in form of Hartree-Fock DFT, HF-DFT) using various functionals. Using CCSD(T) results as reference, we perform the error decomposition scheme recently proposed by Kim et al. The results show while most neutrals are $functio{\acute{n}}al$ error $domi{\bar{n}}ating$ normal calculations, $CH^-$ and $NO^-$ anions are density-driven error dominating abnormal calculations. In case of $NH^-$, traditional DFT goes to a wrong dissociation limit indicating abnormality, but both HF-DFT and CCSD(T) results need further investigation due to the kinks on the curve.

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격자무늬를 갖는 에어포일의 단면 해석 및 워핑 모형 제작

  • Chu, Hyeon-Ji;Han, Hui-Do;Kim, Nam-Jo
    • Proceeding of EDISON Challenge
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    • 2015.03a
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    • pp.257-262
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    • 2015
  • In this paper, the cross-section properties of thin-walled beam are calculated through KSec2D in consist of Saint-Venant theory. To investigate tendency increasing the thickness, we analysis cross-section using isotropic material. In the asymmetric cross-section, we investigate effect caused cross-section properties accompanied increasing the thickness. The structural properties such as bending stiffness, tosion stiffness per area of each cross-section in three cases is compared through increasing thickness. The warping displacement calculated by KSed2D is modeled by CATIA. In order to show that warping influence the cross-section, the warping shape modeled CATIA is printed 3D printer.

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Pass obstacle walking robot using Jansen mechanism (경사/장애물/특수 표면을 이동할 수 있는 얀센 매커니즘 기반의 보행기구 설계)

  • Song, Chi kwang;Park, Jung bin;Choi, Hoon;Kim, Jong hyuk;An, Hyun kyum;Lee, Gun hee
    • Proceeding of EDISON Challenge
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    • 2016.03a
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    • pp.477-480
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    • 2016
  • Based on the Jansen mechanism theory, a walking robot is developed, which is able to overcome the given obstacles. Taking joint positions and leg directions as design parameters, the walking robot is analyzed. In order to analyze and optimize the leg motion, Edison program and Jansen mechanism optimization solver are used, respectively. It is found that Edison program is so effective to determine joint variables and position of leg direction. With the help of these programs, lots of trials or errors could be saved.

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Quantum chemical investigations on bis(bora)calix[4]arene: a fluorescent fluoride sensor

  • Jin, Jae Hyeok;Lee, Yoon Sup
    • Proceeding of EDISON Challenge
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    • 2013.04a
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    • pp.77-88
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    • 2013
  • The computational study on the fluoride ion binding with bis(bora)calix[4]arene has been performed using density functional theory and ONIOM model. The computed structure and fluorescent behavior of bis(bora)calix[4]arene was corresponded to experiment value. The binding energy for fluoride anion is computed to be 28.05kJ/mol in the chloroform solution. We also predicted that this sensing mechanism is only valid for fluoride ion in halogens. By analyzing molecular orbitals, binding with fluoride ion reduces energy differences between HOMO and LUMO, which leads to fluorescent sensing.

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Local Structure Study of Liquid Phase Ethylene Glycol and 1,3-propanediol through Density Functional Theory

  • Nam, Seungsoo;Sim, Eunji
    • Proceeding of EDISON Challenge
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    • 2016.03a
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    • pp.140-146
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    • 2016
  • Using density functional Theory, we studied local structure of liquid ethylene glycol and 1,3-propanediol. For both liquid, making intramolecular hydrogen bonding is not preferred, because relative energy between with and without intramolecular hydrogen bond is only -1.95kcal/mol, which is far less than intermolecular hydrogen bonding energy, about -7.5kcal/mol. Also, hydrogen bond induce polarization of hydroxyl group and make $2^{nd}$ hydrogen bond more stronger. This effect was small in intramolecular hydrogen bond of ethylene glycol. When considering energy per hydrogen bond, making only one intermolecular hydrogen bond for ethylene glycol pair is energetically favored, while two intermolecular hydrogen bond can be formed in 1,3-propanediol pair.

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A Research about optimum design of the walking robot using Jansen mechanism (얀센 메커니즘을 이용한 보행로봇의 최적설계에 관한 연구)

  • YONGZHU, JIN;Chi, Hyoung Geun
    • Proceeding of EDISON Challenge
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    • 2016.03a
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    • pp.384-388
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    • 2016
  • This paper proposed a m.Sketch to search the optimal link lengths for a legged walking robot. In order to apply the m.Sketch for the proposed, set the design parameters of the constraints and use the m.Skecth to get optimal GL(Groud Length) and GAC(Ground Angle Coefficient). The legged robot designed based on four-bar linkage theory and Theo Jansen mechanism. The stride length of the legged walking robot was defined based on the proposed kinematic analysis. Use the Edison Design m.Sketch simulate and find the optimal link length having the best of the Ground Length (GL) and Ground Angle Coefficient(GAC). And use these length implemented the Theo Jansen mechanism both in Science box parts and acrylic. In addition to the further expansion of the legs to reach the goaltranslating heavy objects or person.

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HW/SW Partitioning Techniques for Multi-Mode Multi-Task Embedded Applications (멀티모드 멀티태스크 임베디드 어플리케이션을 위한 HW/SW 분할 기법)

  • Kim, Young-Jun;Kim, Tae-Whan
    • Journal of KIISE:Computer Systems and Theory
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    • v.34 no.8
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    • pp.337-347
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    • 2007
  • An embedded system is called a multi-mode embedded system if it performs multiple applications by dynamically reconfiguring the system functionality. Further, the embedded system is called a multi-mode multi-task embedded system if it additionally supports multiple tasks to be executed in a mode. In this Paper, we address a HW/SW partitioning problem, that is, HW/SW partitioning of multi-mode multi-task embedded applications with timing constraints of tasks. The objective of the optimization problem is to find a minimal total system cost of allocation/mapping of processing resources to functional modules in tasks together with a schedule that satisfies the timing constraints. The key success of solving the problem is closely related to the degree of the amount of utilization of the potential parallelism among the executions of modules. However, due to an inherently excessively large search space of the parallelism, and to make the task of schedulabilty analysis easy, the prior HW/SW partitioning methods have not been able to fully exploit the potential parallel execution of modules. To overcome the limitation, we propose a set of comprehensive HW/SW partitioning techniques which solve the three subproblems of the partitioning problem simultaneously: (1) allocation of processing resources, (2) mapping the processing resources to the modules in tasks, and (3) determining an execution schedule of modules. Specifically, based on a precise measurement on the parallel execution and schedulability of modules, we develop a stepwise refinement partitioning technique for single-mode multi-task applications. The proposed techniques is then extended to solve the HW/SW partitioning problem of multi-mode multi-task applications. From experiments with a set of real-life applications, it is shown that the proposed techniques are able to reduce the implementation cost by 19.0% and 17.0% for single- and multi-mode multi-task applications over that by the conventional method, respectively.

Analysis of Artificial Intelligence Curriculum of SW Universities (SW중심대학의 인공지능 교육과정 현황분석)

  • Woo, HoSung;Lee, HyunJeong;Kim, JaMee;Lee, WonGyu
    • The Journal of Korean Association of Computer Education
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    • v.23 no.2
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    • pp.13-20
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    • 2020
  • The interest in artificial intelligence is due to an increase in influence on companies, organizations, daily lives and society. The purpose of this study is to analyze the key elements in the teaching subjects of artificial intelligence-related subjects of Korean universities based on the intelligent system area of Computer Science 2013 in terms of human resources development. According to the analysis, there are five out of nine universities that run the required courses. Based on the 12 detailed knowledge domains of intelligent systems, the compulsory subjects of universities are distributed in the field of basic search theory, basic knowledge expression and reasoning, and inference based on uncertainty. The elective courses of each university covered topics in five to eight areas of the total knowledge area of the intelligent system, with 69.9 percent of universities with the highest average ratio of areas involving the subject of teaching subjects and 46.3 percent of universities with the lowest. This study has implications for the fact that prior to entering an artificial intelligence graduate school, we were able to grasp the level of knowledge about artificial intelligence at the undergraduate level.

Hardware Synthesis From Coarse-Grained Dataflow Specification For Fast HW/SW Cosynthesis (빠른 하드웨어/소프트웨어 통합합성을 위한 데이타플로우 명세로부터의 하드웨어 합성)

  • Jung, Hyun-Uk;Ha, Soon-Hoi
    • Journal of KIISE:Computer Systems and Theory
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    • v.32 no.5
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    • pp.232-242
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    • 2005
  • This paper concerns automatic hardware synthesis from data flow graph (DFG) specification for fast HW/SW cosynthesis. A node in BFG represents a coarse grain block such as FIR and DCT and a port in a block may consume multiple data samples per invocation, which distinguishes our approach from behavioral synthesis and complicates the problem. In the presented design methodology, a dataflow graph with specified algorithm can be mapped to various hardware structures according to the resource allocation and schedule information. This simplifies the management of the area/performance tradeoff in hardware design and widens the design space of hardware implementation of a dataflow graph compared with the previous approaches. Through experiments with some examples, the usefulness of the proposed technique is demonstrated.