• 제목/요약/키워드: Dynamics simulation

검색결과 4,067건 처리시간 0.031초

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
    • 한국자기공명학회논문지
    • /
    • 제22권4호
    • /
    • pp.139-143
    • /
    • 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
    • /
    • 제어로봇시스템학회 2004년도 ICCAS
    • /
    • pp.1966-1971
    • /
    • 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.

  • PDF

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
    • /
    • 제19권spc1호
    • /
    • pp.265-271
    • /
    • 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.

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

  • 오영민;정경호
    • 한국시스템다이내믹스연구
    • /
    • 제9권1호
    • /
    • pp.57-71
    • /
    • 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.

  • PDF

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

  • 박외철
    • 한국화재소방학회논문지
    • /
    • 제23권5호
    • /
    • pp.133-137
    • /
    • 2009
  • 화재 시뮬레이션용 전산유체역학 모델인 Fire Dynamics Simulator(FDS)을 이용한 수직벽 화재 시뮬레이션의 정확성을 확인하기 위해 FDS를 프로필렌 수직벽 화재에 적용하였다. 단위면적당 연소율 $7.0{\sim}29.29g/m^2-s$의 범위에서 버너중심에서의 경계층 내 온도분포를 실험결과와 비교하였다. 또 수직벽면 위 수직중심선을 따라 계산한 열유속(heat flux) 분포도 실험과 비교하였다. 경계층 내 온도분포는 비교적 잘 예측됨을 확인하였다. 그러나 벽면근처의 최고온도는 측정치보다 낮았고, 수직벽면의 열유속은 지나치게 높게 나타났다. 이에 따라 수직벽 화재의 시뮬레이션에 있어서 FDS를 개선할 필요가 있음을 확인하였다.

Numerical simulation of the unsteady flowfield in complete propulsion systems

  • Ferlauto, Michele;Marsilio, Roberto
    • Advances in aircraft and spacecraft science
    • /
    • 제5권3호
    • /
    • pp.349-362
    • /
    • 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.