• Title/Summary/Keyword: Challenge Model

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다양한 용매 속 NaCl 의 분자 동역학 시뮬레이션 : Umbrella sampling 을 이용한 Potential of Mean Force 계산

  • Jo, Yun-Ju;Jang, Rak-U
    • Proceeding of EDISON Challenge
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    • 2016.03a
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    • pp.120-125
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    • 2016
  • 용매화 된 이온들간의 상호작용은 화학을 비롯한 여러 분야에서 중요하게 다뤄지고 있다. 계산화학에 있어 다양한 용매에 용매화 된 이온들간의 상호작용은 분자동력학 시뮬레이션(MD)을 이용한 PMF 계산을 통해 많이 연구되어 왔는데, 본 그룹에서는 물을 표현할 수 있는 다양한 모델과 Salt solution 하에 Na+ 이온과 Cl- 이온 사이 상호작용을 PMF 계산을 통해 알아보았다. 첫 번째로 Polarizable water model인 Tip4p-fq를 사용한 PMF 계산 결과는 아직 진행 중에 있으며 결과적으로는 기본적으로 CHARMM water force field에서 제공해주는 Tip3p 모델 및 양자계산 방법 중 하나인 Ab initio를 이용한 결과와 비교, 분석 할 예정이다. 두 번째로 1M/2M/5M Salt solution의 서로 다른 농도를 사용하여 시뮬레이션 한 결과 1M과 2M에서는 물 속에서 시뮬레이션 한 결과와 큰 차이가 없었으나 농도가 짙은 5M 용매 내에선 $Na^+$이온과 $Cl^-$이온 사이 거리가 멀어질수록 주변 Salt에 영향을 받는 것을 확인 할 수 있었다. 결론적으로 본 연구를 진행함으로써 우리는 서로 다른 전하를 갖는 이온 사이 상호작용에 대한 이해를 더 높일 수 있었다.

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Optimization on Working Trajectory of a Quadruped Robot Based on Jansen Mechanism (얀센 메커니즘 기반의 4 족 로봇의 보행 궤적의 최적화)

  • Bae, JoonSeok;Yu, SeongMin;Kim, MinJun;Jeong, EunSik;Han, SangMin;Hwang, WooJung;Choi, JaeNeung;Lee, ChoonYeol
    • Proceeding of EDISON Challenge
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    • 2016.03a
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    • pp.397-403
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    • 2016
  • Various walking robot platforms have been developed to carry out missions such as explorations, pass of obstacle or inspections of dangerous environments. In this work, a four legs mechanism based on Jansen mechanism is developed, which can follow a certain track and overcome obstacles. To find the ideal locus, computer programs are used such as M. sketch and Working model. Using these program tools, moderate linkage sizes are selected in Science Box. Furthermore, in order to optimize design of legs, a level average analysis is used as well as Edison S/W. Through the design optimization, improved stride of locus is found.

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Detection of a Crack in Beams by Eigen Value Analysis (고유치 해석을 이용한 보의 크랙 탐색)

  • Lee, Hee-Su;Lee, Ki-Hoon;Cho, Jae-Hoon
    • Proceeding of EDISON Challenge
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    • 2016.03a
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    • pp.195-202
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    • 2016
  • In this paper, crack detection method using eigen value analysis is presented. Three methods are used: theoretical analysis, finite element method with the cracked beam elements and finite element method with three dimensional continuum elements. Finite element formulation of the cracked beam element is introduced. Additional term about stress intensity factor based on fracture mechanics theory is added to flexibility matrix of original beam to model the crack. As using calculated stiffness matrix of cracked beam element and mass matrix, natural frequencies are calculated by eigen value analysis. In the case of using continuum elements, the natural frequencies could be calculated by using EDISON CASAD solver. Several cases of crack are simulated to obtain natural frequencies corresponding the crack. The surface of natural frequency is plotted as changing with crack location and depth. Inverse analysis method is used to find crack location and depth from the natural frequencies of experimental data, which are referred by another papers. Predicted results are similar with the true crack location and depth.

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Jansen Mechanism Walker Made with EDISON Science Box (EDISON 과학상자를 이용한 얀센 메커니즘 보행 기구 제작)

  • Jang, Hoik;Lee, Hyeongbeom;Lee, Junghyeok
    • Proceeding of EDISON Challenge
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    • 2016.03a
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    • pp.434-442
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    • 2016
  • Jansen mechanism is composed of mechanical walking linkages that are designed and optimized by Theo Jansen in 1990. Although he has made optimum values for linkage dimensions for Jansen Mechanism, there are still various applications for this mechanism and also various optimum values for each application. In this paper, Jansen Mechanism optimization has been processed for the Science Box. The Science Box has its own linkage dimensions and related components and makes space for optimization process. For the optimization 3 to 4 linkage were selected which had no similar ratios of linkages between other applied Jansen mechanisms and to reduce experiment numbers. Response Surface Method was used with Minitab 17 for optimization and m.sketch was used for experimentation. Intuitive method had to be used to find optimum values as with RSM optimum value could not be found. EDISON Designer was used to make final CAD model with optimum values and laser cutter was used to get appropriate acryl panels for legs.

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Ranking subjects based on paired compositional data with application to age-related hearing loss subtyping

  • Nam, Jin Hyun;Khatiwada, Aastha;Matthews, Lois J.;Schulte, Bradley A.;Dubno, Judy R.;Chung, Dongjun
    • Communications for Statistical Applications and Methods
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    • v.27 no.2
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    • pp.225-239
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    • 2020
  • Analysis approaches for single compositional data are well established; however, effective analysis strategies for paired compositional data remain to be investigated. The current project was motivated by studies of age-related hearing loss (presbyacusis), where subjects are classified into four audiometric phenotypes that need to be ranked within these phenotypes based on their paired compositional data. We address this challenge by formulating this problem as a classification problem and integrating a penalized multinomial logistic regression model with compositional data analysis approaches. We utilize Elastic Net for a penalty function, while considering average, absolute difference, and perturbation operators for compositional data. We applied the proposed approach to the presbyacusis study of 532 subjects with probabilities that each ear of a subject belongs to each of four presbyacusis subtypes. We further investigated the ranking of presbyacusis subjects using the proposed approach based on previous literature. The data analysis results indicate that the proposed approach is effective for ranking subjects based on paired compositional data.

Active and Passive Protective Effect of CFC-101 (Pseudomonas Vaccine) in Mice (CFC-101(녹농균 백신)의 능동 및 수동면역 효과)

  • 박완제;조양제;김영지;김제학;박관하;김유삼;함경수
    • Biomolecules & Therapeutics
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    • v.2 no.4
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    • pp.326-330
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    • 1994
  • The treatment of pseudomonal infection is a perplexed problem because of its modest susceptibility to most of the major antibiotics. A novel Pseudomonas vaccine(CFC-101) was prepared from the outer membrane protein fractions of several Pseudomonas strains. In this study, we examined CFC-101's effectiveness in both active and passive immunization models. CFC-101 in mice at 0.2 mg/kg, i.p., given three times at two-day intervals, completely prevented the death caused by Pseudomonas aeruginosa. Antibody titer, in accordance with the protective effect in this active immunization, was elevated to its peak level following three consecutive administrations of CFC-101. Thereafter, antibody titer stayed at a constantly high level. Each outer membrane protein fraction from the four CFC-101 producers, exhibited good cross-protective effects in mouse infection models against different Fisher types of P. aeruginosa. In the passive immunization model, 21~336 $\mu\textrm{g}$/kg of anti-rabbit IgG to CFC-101, when mice being infected with a challenge strain, prevented the Pseudomonhas-induced death up to 60%. Therefore, the preventive effect of CFC-101 was verified in both the active and passive immunization models.

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Experimental and numerical simulation study on fracture properties of self-compacting rubberized concrete slabs

  • Wang, Jiajia;Chen, Xudong;Bu, Jingwu;Guo, Shengshan
    • Computers and Concrete
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    • v.24 no.4
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    • pp.283-293
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    • 2019
  • The limited availability of raw materials and increasing service demands for pavements pose a unique challenge in terms of pavement design and concrete material selection. The self-compacting rubberized concrete (SCRC) can be used in pavement design. The SCRC pavement slab has advantages of excellent toughness, anti-fatigue and convenient construction. On the premise of satisfying the strength, the SCRC can increase the ductility of pavement slab. The aim of this investigation is proposing a new method to predict the crack growth and flexural capacity of large-scale SCRC slabs. The mechanical properties of SCRC are obtained from experiments on small-scale SCRC specimens. With the increasing of the specimen depth, the bearing capacity of SCRC beams decreases at the same initial crack-depth ratio. By constructing extended finite element method (XFEM) models, crack growth and flexural capacity of large-scale SCRC slabs with different fracture types and force conditions can be predicted. Considering the diversity of fracture types and force conditions of the concrete pavement slab, the corresponding test was used to verify the reliability of the prediction model. The crack growth and flexural capacity of SCRC slabs can be obtained from XFEM models. It is convenient to conduct the experiment and can save cost.

Rock failure assessment based on crack density and anisotropy index variations during triaxial loading tests

  • Panaghi, Kamran;Golshani, Aliakbar;Takemura, Takato
    • Geomechanics and Engineering
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    • v.9 no.6
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    • pp.793-813
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    • 2015
  • Characterization of discontinuous media is an endeavor that poses great challenge to engineers in practice. Since the inherent defects in cracked domains can substantially influence material resistance and govern its behavior, a lot of work is dedicated to efficiently model such effects. In order to overcome difficulties of material instability problems, one needs to comprehensively represent the geometry of cracks along with their impact on the mechanical properties of the intact material. In the present study, stress-strain results from laboratory experiments on Inada granite was used to derive crack tensor as a tool for the evaluation of fractured domain stability. It was found that the formulations proposed earlier could satisfactorily be employed to attain crack tensor via the invariants of which judgment on cracks population and induced anisotropy is possible. The earlier criteria based on crack tensor analyses were reviewed and compared to the results of the current study. It is concluded that the geometrical parameters calculated using mechanical properties could confidently be used to judge the anisotropy as well as strength of the cracked domain.

Simulation of oxygen mass transfer in fuel assemblies under flowing lead-bismuth eutectic

  • Feng, Wenpei;Zhang, Xue;Chen, Hongli
    • Nuclear Engineering and Technology
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    • v.52 no.5
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    • pp.908-917
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    • 2020
  • Corrosion of structural materials presents a critical challenge in the use of lead-bismuth eutectic (LBE) as a nuclear coolant in an accelerator-driven system. By forming a protective layer on the steel surfaces, corrosion of steels in LBE cooled reactors can be mitigated. The amount of oxygen concentration required to create a continuous and stable oxide layer on steel surfaces is related to the oxidation process. So far, there is no oxidation experiment in fuel assemblies (FA), let alone specific oxidation detail information. This information can be, however, obtained by numerical simulation. In the present study, a new coupling method is developed to implement a coupling between the oxygen mass transfer model and the commercial computational fluid dynamics (CFD) software ANSYS-CFX. The coupling approach is verified. Using the coupling tool, we study the oxidation process of the FA and investigate the effects of different inlet parameters, such as temperature, flow rate on the mass transfer process.

An Ensemble Cascading Extremely Randomized Trees Framework for Short-Term Traffic Flow Prediction

  • Zhang, Fan;Bai, Jing;Li, Xiaoyu;Pei, Changxing;Havyarimana, Vincent
    • KSII Transactions on Internet and Information Systems (TIIS)
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    • v.13 no.4
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    • pp.1975-1988
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    • 2019
  • Short-term traffic flow prediction plays an important role in intelligent transportation systems (ITS) in areas such as transportation management, traffic control and guidance. For short-term traffic flow regression predictions, the main challenge stems from the non-stationary property of traffic flow data. In this paper, we design an ensemble cascading prediction framework based on extremely randomized trees (extra-trees) using a boosting technique called EET to predict the short-term traffic flow under non-stationary environments. Extra-trees is a tree-based ensemble method. It essentially consists of strongly randomizing both the attribute and cut-point choices while splitting a tree node. This mechanism reduces the variance of the model and is, therefore, more suitable for traffic flow regression prediction in non-stationary environments. Moreover, the extra-trees algorithm uses boosting ensemble technique averaging to improve the predictive accuracy and control overfitting. To the best of our knowledge, this is the first time that extra-trees have been used as fundamental building blocks in boosting committee machines. The proposed approach involves predicting 5 min in advance using real-time traffic flow data in the context of inherently considering temporal and spatial correlations. Experiments demonstrate that the proposed method achieves higher accuracy and lower variance and computational complexity when compared to the existing methods.