• 제목/요약/키워드: Particle Dynamics

검색결과 427건 처리시간 0.023초

분자동역학을 이용한 열원 주변에서의 나노입자의 분포에 대한 연구 (A Study of Nano-particle Distributions near a Heated Substrate using Molecular Dynamics Simulations)

  • 이태일
    • 한국기계가공학회지
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    • 제18권5호
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    • pp.60-65
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    • 2019
  • Since nanofluids (NFs), which are a mixture of a small amount of nanoparticles and a bulk liquid solvent, were first proposed by Stephen Choi at the Argonne National Lab in 1995, they have been considered for use in many technical studies of power cooling systems and their practical application due to their high thermal conductivity and heat transfer coefficients compared to conventional coolants. Although nanofluids are a well-known form of engineering fluid that show great promise for use in future cooling systems, their underlying physics as demonstrated in experiments remain unclear. One proven method of determining the heat transfer performance of nanofluids is measuring the concentration of nanoparticles in a mixture. However, it is experimentally inefficient to build testbeds to systematically observe particle distributions on a nanoscale. In this paper, we demonstrate the distribution of nanoparticles under a temperature gradient in a solution using molecular dynamics simulations. First, temperature profiles based on substrate temperature are introduced. Following this, the radial pair distribution functions of pairs of nanoparticles, solvents, and substrates are calculated. Finally, the distribution of nanoparticles in different heating regions is determined.

근거리 힘 계산의 새로운 고속화 방법 (A New Fast Algorithm for Short Range Force Calculation)

  • 안상환;안철오
    • 유체기계공업학회:학술대회논문집
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    • 유체기계공업학회 2006년 제4회 한국유체공학학술대회 논문집
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    • pp.383-386
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    • 2006
  • In this study, we propose a new fast algorithm for calculating short range forces in molecular dynamics, This algorithm uses a new hierarchical tree data structure which has a high adaptiveness to the particle distribution. It can divide a parent cell into k daughter cells and the tree structure is independent of the coordinate system and particle distribution. We investigated the characteristics and the performance of the tree structure according to k. For parallel computation, we used orthogonal recursive bisection method for domain decomposition to distribute particles to each processor, and the numerical experiments were performed on a 32-node Linux cluster. We compared the performance of the oct-tree and developed new algorithm according to the particle distributions, problem sizes and the number of processors. The comparison was performed sing tree-independent method and the results are independent of computing platform, parallelization, or programming language. It was found that the new algorithm can reduce computing cost for a large problem which has a short search range compared to the computational domain. But there are only small differences in wall-clock time because the proposed algorithm requires much time to construct tree structure than the oct-tree and he performance gain is small compared to the time for single time step calculation.

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Optimal design of hydraulic support landing platform for a four-rotor dish-shaped UUV using particle swarm optimization

  • Zhang, Bao-Shou;Song, Bao-Wei;Jiang, Jun;Mao, Zhao-Yong
    • International Journal of Naval Architecture and Ocean Engineering
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    • 제8권5호
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    • pp.475-486
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    • 2016
  • Four-rotor dish-shaped unmanned underwater vehicles (FRDS UUVs) are new type underwater vehicles. The main goal of this paper is to develop a quick method to optimize the design of hydraulic support landing platform for the new UUV. In this paper, the geometry configuration and instability type of the platform are defined. Computational investigations are carried out to study the hydrodynamic performance of the landing platform using the Computational Fluid Dynamics (CFD) method. Then, the response surface model of the optimization objective is established. The intelligent particle swarm optimization (PSO) is applied to finding the optimal solution. The result demonstrates that the stability of landing platform is significantly improved with the global objective index increasing from 1.045 to 1.158 (10.86% higher) after the optimization process.

Hydrogel microrheology near the liquid-solid transition

  • Larsen, Travis;Schultz, Kelly;Furst, Eric M.
    • Korea-Australia Rheology Journal
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    • 제20권3호
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    • pp.165-173
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    • 2008
  • Multiple particle tracking microrheology is used to characterize the viscoelastic properties of biomaterial and synthetic polymer gels near the liquid-solid transition. Probe particles are dispersed in the gel precursors, and their dynamics are measured as a function of the extent of reaction during gel formation. We interpret the dynamics using the generalized Stokes-Einstein relationship (GSER), using a form of the GSER that emphasizes the relationship between the probe particle mean-squared displacement and the material creep compliance. We show that long-standing concepts in gel bulk rheology are applicable to microrheological data, including time-cure superposition to identify the gel point and critical scaling exponents, and the power-law behavior of incipient network's viscoelastic response. These experiments provide valuable insight into the rheology, structure, and kinetics of gelling materials, and are especially powerful for studying the weak incipient networks of dilute gelators, as well as scarce materials, due to the small sample size requirements and rapid data acquisition.

Conceptual Design of Sandglass-like Separator for Immobilized Anionic Radionuclides Using Particle Tracking Based on Computational Fluid Dynamics

  • Park, Tae-Jin;Choi, Young-Chul;Ham, Jiwoong
    • 방사성폐기물학회지
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    • 제18권3호
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    • pp.363-372
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    • 2020
  • Anionic radionuclides pose one of the highest risks to the long-term safety assessments of disposal repositories. Therefore, techniques to immobilize and separate such anionic radionuclides are of crucial importance from the viewpoints of safety and waste volume reduction. The main objective of this study is to design a separator with minimum pressure disturbance, based on the concept of a conventional cyclone separator. We hypothesize that the anionic radionuclides can be immobilized onto a nanomaterial-based substrate and that the particles generated in the process can flow via water. These particles are denser than water; hence, they can be trapped within the cyclone-type separator because of its design. We conducted particle tracking analysis using computational fluid dynamics (CFD) for the conventional cyclone separator and studied the effects due to the morphology of the separator. The proposed sandglass-like design of the separator shows promising results (i.e., only one out of 10,000 particles escaped to the outlet from the separation zone). To validate the design, we manufactured a laboratory-scale prototype separator and tested it for iron particles; the efficiency was ca. 99%. Furthermore, using an additional magnetic effect with the separator, we could effectively separate particles with ~100% efficiency. The proposed sandglass-like separator can thus be used for effective separation and recovery of immobilized anionic radionuclides.

Analysis of Airflow Pattern and Particle Dispersion in Enclosed Environment Using Traditional CFD and Lattice Boltzmann Methods

  • Inoguchi, Tomo;Ito, Kazuhide
    • 국제초고층학회논문집
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    • 제1권2호
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    • pp.87-97
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    • 2012
  • The indoor environments in high-rise buildings are generally well enclosed by defined boundary conditions. Here, a numerical simulation method based on the Lattice Boltzmann method (LBM), which aims to model and simulate the turbulent flow accurately in an enclosed environment, and its comparison with traditional computational fluid dynamics (CFD) results, are presented in this paper. CFD has become a powerful tool for predicting and evaluating enclosed airflows with the rapid advance in computer capacity and speed, and various types of CFD turbulence modeling and its application and validation have been reported. The LBM is a relatively new method; it involves solving of the discrete Boltzmann equation to simulate the fluid flow with a collision model instead of solving Navier-Stokes equations. In this study, the LBM-based scheme of flow pattern and particle dispersion analyses are validated using the benchmark test case of two- and three-dimensional and isothermal conditions (IEA/Annex 20 case); the prediction accuracy and advantages are also discussed by comparison with the results of CFD.

Movement and evolution of macromolecules in a grooved micro-channel

  • Zhou, L.W.;Liu, M.B.;Chang, J.Z.
    • Interaction and multiscale mechanics
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    • 제6권2호
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    • pp.157-172
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    • 2013
  • This paper presented an investigation of macromolecular suspension in a grooved channel by using the dissipative particle dynamics (DPD) with finitely extensible non-linear elastic (FENE) bead spring chains model. Before studying the movement and evolution of macromolecules, the DPD method was first validated by modeling the simple fluid flow in the grooved channel. For both simple fluid flow and macromolecular suspension, the flow fields were analyzed in detail. It is found that the structure of the grooved channel with sudden contraction and expansion strongly affects the velocity distribution. As the width of the channel reduces, the horizontal velocity increases simultaneously. Vortices can also be found at the top and bottom corners behind the contraction section. For macromolecular suspension, the macromolecular chains influence velocity and density distribution rather than the temperature and pressure. Macromolecules tend to drag simple fluid particles, reducing the velocity with density and velocity fluctuations. Particle trajectories and evolution of macromolecular conformation were investigated. The structure of the grooved channel with sudden contraction and expansion significantly influence the evolution of macromolecular conformation, while macromolecules display adaptivity to adjust their own conformation and angle to suit the structure so as to pass the channel smoothly.

유체 시뮬레이션 기술을 이용한 비유체 표현기법 (Non-fluid representation technique using fluid simulation)

  • 이성준;허연진;신병석
    • 한국차세대컴퓨팅학회논문지
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    • 제15권4호
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    • pp.51-61
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    • 2019
  • 이 논문에서는 유체 시뮬레이션 기술을 사용해서 비유체인 토사를 시뮬레이션하는 방법을 구현했다. 굴착 작업 등에 의해 생성되는 토사를 표현하기 위해 널리 사용되는 NVIDIA 사의 FleX를 사용하였다. FleX는 SPH(Smoothed-particle hydrodynamics) 기법과 위치 기반 동역학 (Position Based Dynamics) 기법을 결합한 입자 기반 물리 시뮬레이션 라이브러리로서 이를 이용하면 유체를 실감 있게 표현할 수 있다. 그러나 토사는 유체의 성질뿐만 아니라 비유체의 성질도 가지고 있기 때문에 기존의 FleX가 제공하는 기능만으로 시뮬레이션하기 어렵다. 본 연구에서는 기존 Flex를 이용하여 비유체의 행태를 시뮬레이션하기 위한 기법을 추가하였다. 이를 통해 적은 비용으로 효과적인 결과 개선이 이루어질 수 있다.

음압격리병실에서의 기침 토출입자의 입경에 따른 확산 및 침적에 대한 수치해석 연구 (A Numerical Study on Coughed Particle Dispersion and Deposition in Negative Pressure Isolation Room according to Particle Size)

  • 정민지;홍진관
    • 의료ㆍ복지 건축 : 한국의료복지건축학회 논문집
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    • 제24권2호
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    • pp.37-44
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    • 2018
  • Purpose: This study investigates the influences of coughing direction and healthcare worker's location on the transport characteristics of coughed particles in airborne infection isolation room (AIIR), which is commonly called negative pressure isolation room, with a downward ventilation system. Methods: Computational Fluid Dynamics (CFD) was used to simulate the airflow and for tracing the behavior of particles. Results: The results show that the airflow pattern and coughing direction have a significant influence on the characteristics of particle dispersion and deposition. When healthcare workers are in the isolation room with the patient who is lying on the bed, it is recommended to be located far from the anteroom to reduce the exposures from infectious particles. And when the patient is lying, it is more effective in removing particles than when the patient is in Fowler's position. Although it is an isolation room that produces unidirectional flow, coughing particles can spread to the whole room and a large number of particles can be deposited onto patient, bed, side rails, healthcare worker, ceiling, floor, and sidewall. Implications: Following the patients' discharge or transfer, terminal cleaning of the vacated room, furniture, and all clinical equipment is essential. Also, it is necessary to establish detailed standard operating procedure (SOP) in order to reduce the risk of cross-contamination.

코로나 방전기가 없는 전기집진기의 미세입자 집진에 관한 수치해석 (Numerical Investigation on Capture of Sub-Micron particles in Electrostatic Precipitator without Corona Discharger)

  • 이진운;장재성;이성혁
    • 한국분무공학회지
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    • 제16권2호
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    • pp.69-75
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    • 2011
  • This article presents computational fluid dynamics (CFD) simulations of sub-micron particle movements and flow characteristics in laboratory-scale electrostatic precipitator (ESP) without corona discharge, and for simulation, it uses the commercial CFD program (CFD-ACE) including electrostatic theory and Lagrangian-based equation for sub-micron particle movement. For validation of CFD results, a simple cylindrical type of ESP is simulated and numerical prediction shows fairly good agreement with the analytical solution. In particular, the present study investigates the effect of particle diameter, inlet flow rate, and applied electric potential on particle collection efficiency and compares the numerical prediction with the experimental data, showing good agreement. It is found that the particle collection efficiency decreases with increasing inlet flow rate because the particle detention time becomes shorter, whereas it decreases with the increase in sub-micron particle diameter and with the decrease of applied electric voltage resulting from smaller terminal electrostatic velocity.