• Title/Summary/Keyword: Lennard-Johnson potential

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Molecular Dynamics Study on Collision Behaviors of Cluster of Mercury on Thin-Film of Copper (구리박막에서 수은 클러스터의 충돌거동에 대한 분자동역학적 연구)

  • Jeong, Heung-Cheol;Go, Sun-Mi;Choi, Gyung-Min;Kim, Duck-Jool
    • Proceedings of the KSME Conference
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    • 2007.05b
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    • pp.2678-2683
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    • 2007
  • The interaction between metal molecules and liquid metal molecules was modeled in the molecular scale and simulated by the molecular dynamics method in order to understand behaviors of the cluster on metallic surface in collision process. Lennard-Jones potential had been used as intermolecular potential, and only attraction 때 d repulsion had been used for the behavior of the cluster on the metal surface. As results, the behavior of the cluster was so much influenced by the cluster of liquid metal temperature and function of molecules forces, such as attraction and repulsion, in the collision progress. These results of simulation will be the foundation for the micro fabrication manufacturing by using spray application technology.

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Numerical Simulation for Generation of Homogeneous Thin-Film in Spray Deposition (분무증착에서 균일 박막형성을 위한 전산모사)

  • Jeong, Heung-Cheol;Go, Sun-Mi;Choi, Gyung-Min;Kim, Duck-Jool
    • Proceedings of the KSME Conference
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    • 2007.05b
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    • pp.2702-2707
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    • 2007
  • The purpose of this study is to calculate the behavior of molecules for the generation of homogeneous thin-films in the process of spray deposition. The calculation system was composed of a suface molecular region and droplet molecular region. The thin-film was generated when droplet molecules fell to surface molecules. Lennard-Jones potential had been used as intermolecular potential, and only attraction 때 d repulsion had been used for the behavior of the droplet on the solid surface. As results, the behavior of the droplet was so much influenced by the surface temperature in the spray deposition process. High temperature of surface has higher porosity and larger spread area. It was found that simulation results generally agreed well with previous the experimental results. This simulation result will be the foundation for the deposition processes of industry.

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A Study of Minute Particles' Adhesion on a Rough Surface for a Cryogenic $CO_2$ Cleaning Process (극저온 $CO_2$ 세정공정을 위한 거친표면 위 미세입자의 점착특성 연구)

  • Seok, Jong-Won;Lee, Seong-Hoon;Kim, Pil-Kee
    • Journal of the Semiconductor & Display Technology
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    • v.9 no.1
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    • pp.5-10
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    • 2010
  • Among a variety of cleaning processes, the cryogenic carbon dioxide ($CO_2$) cleaning has merits because it is highly efficient in removing very fine particles, innoxious to humans and does not produce residuals after the cleaning, which enables us to extend its area of coverage in the semi-conductor fabrication society. However, the cryogenic carbon dioxide cleaning method has some technical research issues in aspect to particles' adhesion and removal. To resolve these issues, performing an analysis for the identification of particle adhesion mechanism is needed. In this study, a research was performed by a theoretical approach. To this end, we extended the G-T (Greenwood-Tripp) model by applying the JKR (Johnson-Kendall-Roberts) and Lennard-Jones potential theories and the statistical characteristics of rough surface to investigate and identify the contact, adhesion and deformation mechanisms of soft or hard particles on the rough substrate. The statistical characteristics of the rough surface were taken into account through the employment of the normal probability distribution function of the asperity peaks on the substrate surface. The effects of surface roughness on the pull-off force for these particles were examined and discussed.

Effect by the application of the Verlet Neighboring list in a Molecular Dynamics Simulation (분자동역학법에 있어 인접분자 리스트의 영향)

  • Choi Hyun-Kue;Kim Hae-min;Choe Soon-Youl;Kim Kyung-Kun;Choi Soon-Ho
    • Journal of Advanced Marine Engineering and Technology
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    • v.29 no.1
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    • pp.60-67
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    • 2005
  • Generally. in the molecular dynamics simulations. the Verlet neighboring list algorithm is used for the reduction of a simulation time On the other hand. the application of the Verlet neighboring list forces the time evolution of a simulation system to follow an unrealistic path in a phase space. In equilibrium state, it does not matter with the simulation results because the individual molecule's motion is originally random and any effect due to a small deviation from a real time evolution can be completely ignored. However, if an unsteady state is involved. such a deviation may significantly affect to the results. That is, there is a Possibility that the simulation results Provide ones with any misleading data In this study we evaluated the effect due to the Verlet neighboring list in performing the simulation of a non-equilibrium state and suggested the method to avoid it.