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国家自然科学基金(11105088)

作品数:2 被引量:2H指数:1
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Concentration of nitrogen molecules needed by nitrogen nanobubbles existing in bulk water
2013年
This paper investigates the stability of nitrogen nanobubbles under different concentrations of nitrogen molecules by molecular dynamics simulations.It is found that the stability of nanobubbles is very sensitive to the concentration of nitrogen molecules in water.A sharp transition between disperse states and assemble states of nitrogen molecules is observed when the concentration of nitrogen molecules is changed.The relevant critical concentration of nitrogen molecules needed by the existing nitrogen nanobubbles is analyzed.
张萌涂育松方海平
关键词:氮分子稳定性应用数学
Asymmetrical free diffusion with orientation-dependence of molecules in finite timescales被引量:2
2013年
Using molecular dynamics simulations, we show that free diffusion of a nanoscale particle (molecule) with asymmetric structure critically depends on the orientation in a finite timescale of picoseconds to nanoseconds. In a timescale of ~100 ps, there are ~10% more possibilities for the particle moving along the initial orientation than moving opposite to the orientation; and the diffusion distances of the particle reach ~1 nm. We find that the key to this observation is the orientation-dependence of the damping force to the moving of the nanoscale particle and a finite time is required to regulate the particle orientation. This finding extends the work of Einstein to nano-world beyond random Brownian motion, thus will have a critical role in the understanding of the nanoscale world.
SHENG NanTU YuSongGUO PanWAN RongZhengFANG HaiPing
关键词:分子动力学模拟扩散
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