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LARGE-SCALE MOLECULAR DYNAMICS SIMULATION OF BUBBLE NUCLEATION

机译:泡沫成核的大规模分子动力学模拟

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Bubble nucleation process is investigated by using a large-scale molecular dynamics simulation, which employs 1000188 molecules. Simulations reveal that the physical picture of bubble nucleation agrees with that of the classical nucleation theory, while differs from Kwak's molecular interaction model, which thinks bubble is formed by the expansion of high-energy cluster in the liquid. Moreover, critical embryos are identified by the quantitative analysis of bubble nucleation processes. The simulated critical embryos keep in quasi-spherical shapes. The evaluated critical radii approximate the prediction of the classical nucleation theory, despite the fact that the critical embryos are in nanometers.
机译:通过使用1000188分子的大规模分子动力学模拟来研究泡沫成核过程。仿真揭示了泡沫成核的物理图像与经典成核理论的物理图像同意,而来自kwak的分子相互作用模型的不同之处在于液体中的高能簇的膨胀形成泡沫。此外,通过对泡沫成核过程的定量分析来鉴定临界胚胎。模拟临界胚胎保持在准球形上。评估的临界半径近似于临界胚胎处于纳米的典型成核理论的预测。

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