• Title/Summary/Keyword: Modeling step

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Determination of Proper Time Step for Molecular Dynamics Simulation

  • Jo, Jong Cheol;Kim, Byeong Cheol
    • Bulletin of the Korean Chemical Society
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    • v.21 no.4
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    • pp.419-424
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    • 2000
  • In this study we have investigated the determination of proper time step in molecular dynamics simulation.Since the molecular dynamics is mathematically related to nonlinear dynamics, the analysis of eigenvalues isused to explain the relationship between the time step and dynamics. The tracings of H2 and CO2 molecular dynamics simulation agrees very well with the analytical solutions. For H2, the time step less than 1.823 fs pro-vides stable dynamics. ForCO2, 3.808 fs might be the maximum time step for proper molecular dynamics. Al-though this results were derived for most simple cases of hydrogen and carbon dioxide, we could quantitatively explain why improperly large time step destroyed the molecular dynamics. From this study we could set the guide line of the proper time step for stable dynamics simulation in molecular modeling software.

Convergence Education Modeling for Teaching Integration of IoT with 3D Printing Based on Manufacturing Chemical Product by Production Companies

  • Kim, Chigon;Park, Jong-Youel;Park, Dea-Woo
    • International Journal of Internet, Broadcasting and Communication
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    • v.12 no.4
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    • pp.55-60
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    • 2020
  • This study aims to apply Arduino and 3D printing technology considered as a key subject in the age of 4th industrial revolution which is a step 1 for customizing and applying the process of production by chemical molding companies producing environment-friendly biodegradable packaging materials to the 3D printing teaching in universities. Step 3 is applied to IoT for Arduino application, and 3D printing technology is also used on the basis of teaching creative integrated human resource. Integration of Arduino with 3D printers is based on the assumption that middle- and high-school students can learn it step by step to higher levels and university students majoring or not majoring in computing science can also have computing skills for solving 3D printing-based problems. For IoT application in this study, the 3D printing technology is applied to the external shape of products for producing an Arduino-based lighting fixture. The applied 3D printing technology is further extended to teaching modeling of producing packaging materials by chemical product molding companies in the age of 4th industrial revolution.

The Integrated Design and Analysis of Manufacturing Lines (II) - Continuous Design, Analysis and Optimization through Digital Virtual Manufacturing (제조라인 통합 설계 및 분석(II) - 디지털 가상생산 기술 적용을 통한 지속적인 라인 설계, 분석 및 최적화 프로세스)

  • Choi, SangSu;Sung, Nakyun;Shin, Yeonsik;Noh, Sang Do
    • Korean Journal of Computational Design and Engineering
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    • v.19 no.2
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    • pp.148-156
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    • 2014
  • Generally, over 95% of manufacturing cost is determined in the design and manufacturing preparation step, especially a great part of productivity is determined in the manufacturing preparation step. In order to improve the manufacturing competitiveness, we have to verify the problems that can be occurred in the production step and remove the unnecessary factors in the manufacturing preparation step. Thus, manufacturing industries are adopting digital manufacturing system based on modeling & simulation. In this paper, we introduce e-FEED system (electronic based Front End Engineering and Design) that is the integrated design and analysis system for optimized manufacturing line development based on simulation automation and explain the work process (Design, Analysis and Optimization) about manufacturing line development using e-FEED system. Also, the effect is described through the real implementation cases.

An Efficient Split-Step Time-Domain Dynamic Modeling of DFB/DBR Laser Diodes (연산자 분리 방법을 통한 DFB/DBR 레이저 다이오드의 효율적인 시영역 동적 모델링)

  • Kim, Byoung-Sung;Chung, Young-Chul
    • Journal of the Institute of Electronics Engineers of Korea SD
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    • v.37 no.7
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    • pp.17-28
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    • 2000
  • A novel and efficient approach for the numerical solution of time-dependent coupled-wave equations, which are frequently used for the modeling of DFB(Distributed Feedback), DBR(Distributed Bragg Reflector), and FP(Fabry Perot) laser diodes, is proposed. In this approach, the coupled wave equations are split into two sets of equations. One of two sets of equations contains only the phase factors and the other contains only the coupling terms. The separate equations are solved exactly in their split form successively. This new numerical scheme, which we call the SS-TDM(Split-Step Time Domain Model), is found to require an order of magnitude smaller number of subsections to get accurate results than the previous methods while the computation time for each time step is comparable to the previous methods.

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Influence of modeling agents on the surface properties of an esthetic nano-hybrid composite

  • Kutuk, Zeynep Bilge;Erden, Ecem;Aksahin, Damla Lara;Durak, Zeynep Elif;Dulda, Alp Can
    • Restorative Dentistry and Endodontics
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    • v.45 no.2
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    • pp.13.1-13.10
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    • 2020
  • Objective: The aim of this study was to evaluate the influence of different modeling agents on the surface microhardness (Vickers hardness number; VHN), roughness (Ra), and color change (ΔE) of a nano-hybrid composite with or without exposure to discoloration by coffee. Materials and Methods: Sixty-four cylinder-shaped nano-hybrid composite specimens were prepared using a Teflon mold. The specimens' surfaces were prepared according to the following groups: group 1, no modeling agent; group 2, Modeling Liquid; group 3, a universal adhesive (G-Premio Bond); and group 4, the first step of a 2-step self-adhesive system (OptiBond XTR). Specimens were randomly allocated into 2 groups (n = 8) according to the storage medium (distilled water or coffee). VHN, Ra, and ΔE were measured at 24 hours, 1 week, and 6 weeks. The Kruskal-Wallis test followed by the Bonferroni correction for pairwise comparisons was used for statistical analysis (α = 0.05). Results: Storage time did not influence the VHN of the nano-hybrid composite in any group (p > 0.05). OptiBond XTR Primer application affected the VHN negatively in all investigated storage medium and time conditions (p < 0.05). Modeling Liquid application yielded improved Ra values for the specimens stored in coffee at each time point (p < 0.05). Modeling Liquid application was associated with the lowest ΔE values in all investigated storage medium and time conditions (p < 0.05). Conclusion: Different types of modeling agents could affect the surface properties and discoloration of nano-hybrid composites.

Improvement of STEP Method using Fuzzy Modeling (퍼지모델링을 통한 STEP Method의 개선)

  • 정인준;김광재
    • Proceedings of the Korean Operations and Management Science Society Conference
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    • 2002.05a
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    • pp.16-22
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    • 2002
  • STEP Method(STEM)는 의사결정자와 최적화 모형간의 상호작용을 통하여 문제를 해결하는 다목적 최적화 기법이다 STEM은 최적화 모형을 계산하는 계산 단계와 계산 단계에서 도출된 결과에 대하여 의사결절자의 선호도 정보를 모형에 반영하는 의사결정 단계로 구성되어 있다. STEM의 두 단계에서는 의사결정자의 선호도 정보가 불확실성을 포함한 경우를 적절히 고려하지 못하고 있다. 본 연구에서는 퍼지모델링 기법을 사용하여 STEM의 문제점을 보완한 기법을 제안하고자 한다.

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Modeling time-dependent behavior of hard sandstone using the DEM method

  • Guo, Wen-Bin;Hu, Bo;Cheng, Jian-Long;Wang, Bei-Fang
    • Geomechanics and Engineering
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    • v.20 no.6
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    • pp.517-525
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    • 2020
  • The long-term stability of rock engineering is significantly affected by the time-dependent deformation behavior of rock, which is an important mechanical property of rock for engineering design. Although the hard rocks show small creep deformation, it cannot be ignored under high-stress condition during deep excavation. The inner mechanism of creep is complicated, therefore, it is necessary to investigate the relationship between microscopic creep mechanism and the macro creep behavior of rock. Microscopic numerical modeling of sandstone creep was performed in the investigation. A numerical sandstone sample was generated and Parallel Bond contact and Burger's contact model were assigned to the contacts between particles in DEM simulation. Sensitivity analysis of the microscopic creep parameters was conducted to explore how microscopic parameters affect the macroscopic creep deformation. The results show that the microscopic creep parameters have linear correlations with the corresponding macroscopic creep parameters, whereas the friction coefficient shows power function with peak strength and Young's modulus, respectively. Moreover, the microscopic parameters were calibrated. The creep modeling curve is in good agreement with the verification test result. Finally, the creep curves under one-step loading and multi-step loading were compared. This investigation can act as a helpful reference for modeling rock creep behavior from a microscopic mechanism perspective.

METHOD FOR THE ANALYSIS OF TEMPORAL CHANGE OF PHYSICAL STRUCTURE IN THE INSTRUMENTATION AND CONTROL LIFE-CYCLE

  • Goring, Markus;Fay, Alexander
    • Nuclear Engineering and Technology
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    • v.45 no.5
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    • pp.653-664
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    • 2013
  • The design of computer-based instrumentation and control (I&C) systems is determined by the allocation of I&C functions to I&C systems and components. Due to the characteristics of computer-based technology, component failures can negatively affect several I&C functions, so that the reliability proof of the I&C systems requires the accomplishment of I&C system design analyses throughout the I&C life-cycle. On one hand, this paper proposes the restructuring of the sequential IEC 61513 I&C life-cycle according to the V-model, so as to adequately integrate the concept of verification and validation. On the other hand, based on a metamodel for the modeling of I&C systems, this paper introduces a method for the modeling and analysis of the effects with respect to the superposition of failure combinations and event sequences on the I&C system design, i.e. the temporal change of physical structure is analyzed. In the first step, the method is concerned with the modeling of the I&C systems. In the second step, the method considers the analysis of temporal change of physical structure, which integrates the concepts of the diversity and defense-in-depth analysis, fault tree analysis, event tree analysis, and failure mode and effects analysis.

The Case Study for the Development of Conception of a Graph and the Formula with the absolute value through the Mathematical Modeling (절댓값 기호를 포함한 알차함수와 그래프의 개념발달에 관한 수학적 모델링 사례연구)

  • Shin, Kyung-Hee;Kim, Yeon-Ji
    • The Mathematical Education
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    • v.50 no.2
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    • pp.165-184
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    • 2011
  • The purpose of this study is to detect the possibility of the development of conception of a graph and the formula with the absolute value through context questions, and also to investigate the effectiveness of the each step of the mathematical modeling activities in helping students to have the conception. The research was conducted to analyze the process of development of the mathematical conception by applying the mathematical modeling activities two times to subjects of two academic high school students in the first grade. The results of the study are as follows: Firstly, the subjects were able to comprehend the geometric conception of the absolute value and to make the graph and the formula with the sign of the absolute value by utilizing the condition of the question. Secondly, the researcher set five steps of the intentional mathematical model in order to arouse the effective mathematical notion and each step performed a role in guiding the subjects through the mathematical thinking process in consecutive order; consequently, it was efficacious in developing the conception.

IFC-based Data Structure Design for Web Visualization (IFC 기반 웹 가시화를 위한 데이터 구조 설계)

  • Lee, Daejin;Choi, Wonik
    • Journal of KIISE
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    • v.44 no.3
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    • pp.332-337
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    • 2017
  • When using IFC data consisting of STEP schema based on the EXPRESS language, it is not easy for collaborating project stakeholders to share BIM modeling shape information. The IFC viewer application must be installed on the desktop PC to review the BIM modeling shape information defined within the IFC, because the IFC viewer application not only parse STEP structure information model but also process the 3D feature construction for a 3D visualization. Therefore, we propose a lightweight data structure design for web visualization by parsing IFC data and constructing 3D modeling data. Our experimental results show the weight reduction of IFC data is about 40% of original file size and the web visualization is able to see the same quality with all web browsers which support WebGL on PCs and smartphones. If applied research is conducted about the web visualization based on IFC data of the last construction phase, it could be utilized in various fields ranging from the facility maintenance to indoor location-based services.