论文标题

液体蒸气界面的固有脆弱性:应力网络透视

The Intrinsic Fragility of the Liquid-Vapor Interface: A Stress Network Perspective

论文作者

Rahman, Muhammad Rizwanur, Shen, Li, Ewen, James P., Dini, Daniele, Smith, E. R.

论文摘要

使用固有采样方法,通过分子动力学模拟检查了Lennard-Jones流体的液体蒸气界面的演变。结果表明,与毛细管波理论一致,随着温度的升高,密度曲线的明显阻尼。我们在固有表面的应力群体填充性质(分形维度)的线性变化中,表面张力的增加,或等效地随温度降低。对这些应力网络的渗透分析表明,在较高温度下,应力场更加脱节。这会导致更脆弱的界面,从而导致较高温度下的表面张力降低。

The evolution of the liquid-vapour interface of a Lennard-Jones fluid is examined with molecular dynamics simulations using the intrinsic sampling method. Results suggest, in agreement with capillary wave theory, clear damping of the density profiles as the temperature is increased. We identify a linear variation of the space-filling nature (fractal dimension) of the stress-clusters at the intrinsic surface with increasing surface tension, or equivalently, with decreasing temperature. A percolation analysis of these stress networks indicates that the stress field is more disjointed at higher temperatures. This leads to more fragile interfaces that result in a reduction in surface tension at higher temperature.

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