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    Homogeneous and Heterogeneous Nucleation Simulation by Molecular Dynamics on Parallel Computers

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    https://www.riss.kr/link?id=A76276698

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    Molecular dynamics (MD) on parallel computers was used to investigate homogeneous and heterogeneous nucleation. The behavior of Lennard-Jones (LJ) molecules were studied inside a system where all dimensions of the wall were periodic and a carrier gas within the system controlled the temperature. The results with and without a seed particle were compared subject to various thermodynamic conditions. Moreover, the effects of the number of the seeds were also studied. We confirmed that even when the supersaturation ratio is inadequate for homogeneous nucleation, in some conditions, once a seed is introduced to the system, a cluster is formed. Furthermore, the addition of seeds not only enhances nucleation but renders coagulation as an important nucleation mechanism.
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    Molecular dynamics (MD) on parallel computers was used to investigate homogeneous and heterogeneous nucleation. The behavior of Lennard-Jones (LJ) molecules were studied inside a system where all dimensions of the wall were periodic and a carrier gas ...

    Molecular dynamics (MD) on parallel computers was used to investigate homogeneous and heterogeneous nucleation. The behavior of Lennard-Jones (LJ) molecules were studied inside a system where all dimensions of the wall were periodic and a carrier gas within the system controlled the temperature. The results with and without a seed particle were compared subject to various thermodynamic conditions. Moreover, the effects of the number of the seeds were also studied. We confirmed that even when the supersaturation ratio is inadequate for homogeneous nucleation, in some conditions, once a seed is introduced to the system, a cluster is formed. Furthermore, the addition of seeds not only enhances nucleation but renders coagulation as an important nucleation mechanism.

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    목차 (Table of Contents)

    • Abstract
    • 1. Introduction
    • 2. Simulation Setup
    • 3. Results
    • 4. Conclusion
    • Abstract
    • 1. Introduction
    • 2. Simulation Setup
    • 3. Results
    • 4. Conclusion
    • References
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