Molecular-dynamics simulation of wetting and drying at solid-fluid interfaces.
Molecular-dynamics simulation of wetting and drying at solid-fluid interfaces.
复制标题
DOI：
10.1103/physrevlett.59.98
复制
发表时间：
1987-07
影响因子：
8.6
通讯作者：
Sikkenk;Indekeu;van Leeuwen JM;Vossnack
中科院分区：
文献类型：
--
作者：
Sikkenk;Indekeu;van Leeuwen JM;Vossnack
用德尔夫特分子动力学处理器对Lennard-Jones流体在结构化固体基底上的吸附进行了计算机模拟，使用了大约11500个粒子。获得了真实的密度分布。通过测量表面张力和接触角，润湿以及干燥相变已被确定。润湿过渡以前没有看到在计算机模拟连续流体。这两个转变都是一阶的。
Computer simulations of a Lennard-Jones fluid adsorbed at a structured solid substrate have been carried out with the Delft Molecular Dynamics Processor, using about 11 500 particles. Realistic density profiles have been obtained. By measurement of surface tensions and contact angles, a wetting as well as a drying phase transition have been identified. The wetting transition had not previously been seen in computer simulations of continuum fluids. Both transitions are of first order.