Layering at free liquid surfaces -: art. no. 166101
Layering at free liquid surfaces -: art. no. 166101
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DOI：
10.1103/physrevlett.87.166101
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发表时间：
2001-10-15
影响因子：
8.6
通讯作者：
Tarazona, P
中科院分区：
文献类型：
--
作者：
Chacón, E;Reinaldo-Falagán, M;Tarazona, P
我们表明，简单的液体，适当选择的各向同性对相互作用，可能会表现出表面分层以上的熔化温度。在平板几何条件下，通过Monte Carlo模拟获得了液体表面的结果。表面分层出现在温度低于约三分之一的临界温度非常不同的选择对相互作用。的高熔化温度的Lennard-Jones晶体抢先观察的振荡密度在自由液体界面，而模型对相互作用势，建立重现汞和碱金属的一些属性，具有低熔化温度，揭示了该地区的表面分层。
We show that simple liquids, with appropriate choices of the isotropic pair interaction, may exhibit surface layering above the melting temperature. Results for the liquid surface have been obtained by Monte Carlo simulations in slab geometry. Surface layering appears at temperatures below approximately one-third of the critical temperature for very different choices of pair interaction. The high melting temperature of the Lennard-Jones crystal preempts the observation of the oscillatory density at the free liquid interface, while model pair interaction potentials, built to reproduce some properties of mercury and the alkali metals, have low melting temperature, uncovering the region of surface layering.