• Title/Summary/Keyword: dynamics simulation

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Molecular dynamics simulation of short peptide in DPC micelle using explicit water solvent parameters

  • Kim, Ji-Hun;Yi, Jong-Jae;Won, Hyung-Sik;Son, Woo Sung
    • Journal of the Korean Magnetic Resonance Society
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    • v.22 no.4
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    • pp.139-143
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    • 2018
  • Short antimicrobial peptide, A4W, have been studied by molecular dynamics (MD) simulation in an explicit dodecylphosphocholine (DPC) micelle. Peptide was aligned with DPC micelle and transferred new peptide-micelle coordinates within the same solvent box using specific micelle topology parameters. After initial energy minimization and equilibration, the conformation and orientation of the peptide were analyzed from trajectories obtained from the RMD (restrained molecular dynamics) or the subsequent free MD. Also, the information of solvation in the backbone and the side chain of the peptide, hydrogen bonding, and the properties of the dynamics were obtained. The results showed that the backbone residues of peptide are either solvated using water or in other case, they relate to hydrogen bonding. These properties could be a critical factor against the insertion mode of interaction. Most of the peptide-micelle interactions come from the hydrophobic interaction between the side chains of peptide and the structural interior of micelle system. The interaction of peptide-micelle, electrostatic potential and hydrogen bonding, between the terminal residues of peptide and the headgroups in micelle were observed. These interactions could be effect on the structure and flexibility of the peptide terminus.

Simulation of Spacecraft Attitude Measurement Data by Modeling Physical Characteristics of Dynamics and Sensors

  • Lee, Hun-Gu;Yoon, Jae-Cheol;Cheon, Yee-Jin;Shin, Dong-Seok;Lee, Hyun-Jae;Lee, Young-Ran;Bang, Hyo-Choong;Lee, Sang-Ryool
    • 제어로봇시스템학회:학술대회논문집
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    • 2004.08a
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    • pp.1966-1971
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    • 2004
  • As the remote sensing satellite technology grows, the acquisition of accurate attitude and position information of the satellite has become more and more important. Due to the data processing limitation of the on-board orbit propagator and attitude determination algorithm, it is required to develop much more accurate orbit and attitude determination, which are so called POD (precision orbit determination) and PAD (precision attitude determination) techniques. The sensor and attitude dynamics simulation takes a great part in developing a PAD algorithm for two reasons: 1. when a PAD algorithm is developed before the launch, realistic sensor data are not available, and 2. reference attitude data are necessary for the performance verification of a PAD algorithm. A realistic attitude dynamics and sensor (IRU and star tracker) outputs simulation considering their physical characteristics are presented in this paper, which is planned to be used for a PAD algorithm development, test and performance verification.

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Study on the Dynamic Model and Simulation of a Flexible Mechanical Arm Considering its Random Parameters

  • He Bai-Yan;Wang Shu-Xin
    • Journal of Mechanical Science and Technology
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    • v.19 no.spc1
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    • pp.265-271
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    • 2005
  • Randomness exists in engineering. Tolerance, assemble-error, environment temperature and wear make the parameters of a mechanical system uncertain. So the behavior or response of the mechanical system is uncertain. In this paper, the uncertain parameters are treated as random variables. So if the probability distribution of a random parameter is known, the simulation of mechanical multibody dynamics can be made by Monte-Carlo method. Thus multibody dynamics simulation results can be obtained in statistics. A new concept called functional reliability is put forward in this paper, which can be defined as the probability of the dynamic parameters(such as position, orientation, velocity, acceleration etc.) of the key parts of a mechanical multibody system belong to their tolerance values. A flexible mechanical arm with random parameters is studied in this paper. The length, width, thickness and density of the flexible arm are treated as random variables and Gaussian distribution is used with given mean and variance. Computer code is developed based on the dynamic model and Monte-Carlo method to simulate the dynamic behavior of the flexible arm. At the same time the end effector's locating reliability is calculated with circular tolerance area. The theory and method presented in this paper are applicable on the dynamics modeling of general multibody systems.

Decision Making and Learning in Complex Organization : Learning Approach of Garbage Can Model (복잡한 조직에서의 의사결정과 학습 -쓰레기통 모형(Garbage Can Model)의 학습 적용-)

  • Oh, Young-Min;Jung, Kyoung-Ho
    • Korean System Dynamics Review
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    • v.9 no.1
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    • pp.57-71
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    • 2008
  • This research paper describes a complex and vague settings in which organization makes a decision and explains a role of decision maker's learning process. The original paper, written by Cohen, March, Olsen in 1972, said that all members of organization depended on the technology taken through trials and errors, which is the 'learning' process literally. But they intended to exclude the learning process in their simulation model because their PORTRAN model couldn't replicate the learning concept. As a result, they couldn't explain how all agents of garbage can simulation model resolve the problem dynamically. To overcome this original paper's limitations, we try to rebuild a learning process simulation model using by system dynamics approach that can capture the linkage between organization leanings and agents-based decision-makings. Our learning simulation results reveal two points. First, decision maker's leanings process improves the efficiency of decision making in complex situation. Second, group learning shows a superior efficiency to an individual learning because group members share organizational memory and energy.

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Numerical Study on Propylene Vertical Wall Fires (프로필렌 수직벽 화재의 수치적 연구)

  • Park, Woe-Chul
    • Fire Science and Engineering
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    • v.23 no.5
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    • pp.133-137
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    • 2009
  • The Fire Dynamics Simulator (FDS), a computational fluid dynamics model for fire simulation, was applied to propylene vertical wall fires, to confirm its accuracy in simulation of vertical wall fires. The temperature profiles at the center of the burner obtained for mass loss rates per unit area in the range of $7.0{\sim}29.29g/m^2-s$ were compared with those of experiment. Comparisons of the heat flux distributions along the vertical centerline on the wall surface were made with the measurements. It was shown that the computed temperature profiles were in good agreement with the experiment. It was also noted that the peak temperature near the wall was underpredicted, the heat flux was too high compared with the measurements, and hence improvements are required for FDS in simulation of the vertical wall fires.

Numerical simulation of the unsteady flowfield in complete propulsion systems

  • Ferlauto, Michele;Marsilio, Roberto
    • Advances in aircraft and spacecraft science
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    • v.5 no.3
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    • pp.349-362
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    • 2018
  • A non-linear numerical simulation technique for predicting the unsteady performances of an airbreathing engine is developed. The study focuses on the simulation of integrated propulsion systems, where a closer coupling is needed between the airframe and the engine dynamics. In fact, the solution of the fully unsteady flow governing equations, rather than a lumped volume gas dynamics discretization, is essential for modeling the coupling between aero-servoelastic modes and engine dynamics in highly integrated propulsion systems. This consideration holds for any propulsion system when a full separation between the fluid dynamic time-scale and engine transient cannot be appreciated, as in the case of flow instabilities (e.g., rotating stall, surge, inlet unstart), or in case of sudden external perturbations (e.g., gas ingestion). Simulations of the coupling between external and internal flow are performed. The flow around the nacelle and inside the engine ducts (i.e., air intakes, nozzles) is solved by CFD computations, whereas the flow evolution through compressor and turbine bladings is simulated by actuator disks. Shaft work balance and rotor dynamics are deduced from the estimated torque on each turbine/compressor blade row.