• 제목/요약/키워드: Lennard-Jones fluid

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탄소나노튜브 내 유체유동의 분자동역학 모사 (Fluid flow simulation in carbon nano tube using molecular dynamics)

  • 우영석;이우일
    • 한국소성가공학회:학술대회논문집
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    • 한국소성가공학회 2003년도 추계학술대회논문집
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    • pp.347-354
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    • 2003
  • The dynamics of fluid flow through nanomachines is completely different from that of continuum. In this study, molecular dynamics simulations were performed for the flow of helium, neon, argon inside carbon(graphite) nanotubes of several sizes. The fluid was introduced into the nanotube at a given initial velocity according to given temperature. Diffusion coefficients were evaluated by Green-Kubo equation derived from Einstein relationship. The behaviour of the fluid was strongly dependent on the density of fluid and tube diameter, not on the tube length. It was found that the diffusion Coefficients increased With decreasing the density of molecules and increasing the diameter and temperature.

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입자 동역학 시뮬레이션과 선적분 볼륨 렌더링을 이용한 실시간 유체 애니메이션 (Real-time Fluid Animation using Particle Dynamics Simulation and Pre-integrated Volume Rendering)

  • 이정진;강문구;김동호;신영길
    • 한국정보과학회논문지:시스템및이론
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    • 제32권1호
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    • pp.29-38
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    • 2005
  • 유체 애니메이션은 물리적 시뮬레이션과 시각적 렌더링으로 구성된다. 물리적 시뮬레이션은 입자 동역학을 이용한 해석 방법과 나비어-스토크스(Navier-Stokes) 방정식을 이용한 연속체 유동해석 방법이 많이 사용된다. 입자 동역학을 이용한 시뮬레이션은 연산 속도는 빠르나 유체의 움직임이 경우에 따라 부자연스러우며, 나비어-스토크스 방정식을 이용한 방법은 적절한 조건 하에서 사실적인 유체의 움직임을 표현할 수 있으나 방대한 연산량과 계산의 복잡성으로 인하여 실시간 응용이 어렵다. 우수한 품질의 렌더링 영상은 주로 전역적 조명 방법을 사용하여 얻을 수 있는데, 이 역시 실시간 응용에 적합한 속도론 내기에는 부적합하다. 본 논문에서는 개선된 입자 동역학 시뮬레이션과 선적분 볼륨 렌더링을 이용한 고속유체 애니메이션 방법을 제안한다 레나드-존스(Lennard-Jones) 모턴을 이용한 입자동역학 해석기법을 이용하여 유체의 움직임을 고속으로 시뮬레이션 하였으며, 적은 수의 입자만으로도 충분한 유체의 부피를 표현할 수 있도록 연산효율을 개선하였다. 또한 실시간 렌더링을 위하여 적은 수의 슬라이스로도 우수한 품질의 영상을 빠르게 얻을 수 있는 선적분 볼륨 렌더링 방식을 사용하였다. 본 제안 방법을 사용하여 실시간 응용에 적절한 속도와 화질을 보여주는 유체 애니메이션이 가능하다.

유체 시뮬레이션을 이용한 유도결합 Ar/CH4 플라즈마의 특성 분석 (Characterization of Inductively Coupled Ar/CH4 Plasma using the Fluid Simulation)

  • 차주홍;이호준
    • 전기학회논문지
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    • 제65권8호
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    • pp.1376-1382
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    • 2016
  • The discharge characteristics of inductively coupled $Ar/CH_4$ plasma were investigated by fluid simulation. The inductively coupled plasma source driven by 13.56 Mhz was prepared. Properties of $Ar/CH_4$ plasma source are investigated by fluid simulation including Navier-Stokes equations. The schematics diagram of inductively coupled plasma was designed as the two dimensional axial symmetry structure. Sixty six kinds of chemical reactions were used in plasma simulation. And the Lennard Jones parameter and the ion mobility for each ion were used in the calculations. Velocity magnitude, dynamic viscosity and kinetic viscosity were investigated by using the fluid equations. $Ar/CH_4$ plasma simulation results showed that the number of hydrocarbon radical is lowest at the vicinity of gas feeding line due to high flow velocity. When the input power density was supplied as $0.07W/cm^3$, CH radical density qualitatively follows the electron density distribution. On the other hand, central region of the chamber become deficient in CH3 radical due to high dissociation rate accompanied with high electron density.

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.