Rahman Muhammad Rizwanur, Shen Li, Ewen James P, Dini Daniele, Smith E R
Department of Mechanical Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom.
Department of Mechanical and Aerospace Engineering, Brunel University London, Uxbridge UB8 3PH, United Kingdom.
Langmuir. 2022 Apr 19;38(15):4669-4679. doi: 10.1021/acs.langmuir.2c00201. Epub 2022 Apr 6.
The evolution of the liquid-vapor interface of a Lennard-Jones fluid is examined with molecular dynamics simulations using the intrinsic sampling method. Results suggest clear damping of the intrinsic profiles with increasing temperature. Investigating the surface stress distribution, we have identified 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 (or poorly connected) interfaces which result in a reduction in surface tension.
采用本征采样方法，通过分子动力学模拟研究了 Lennard-Jones 流体液-气界面的演化。结果表明，随着温度升高，本征分布明显衰减。通过研究表面应力分布，我们发现本征表面应力团簇的空间填充性质（分形维数）随表面张力增加或等效地随温度降低呈线性变化。对这些应力网络的渗流分析表明，在较高温度下应力场更加分散。这导致界面更脆弱（或连接性差），从而导致表面张力降低。
