Xu Rong-Guang, Xiang Yuan, Zhang Gunan, Rao Qi, Leng Yongsheng
Department of Mechanical and Aerospace Engineering, The George Washington University, Washington, DC 20052, USA.
Materials (Basel). 2022 Jan 27;15(3):997. doi: 10.3390/ma15030997.
Liquid-vapor molecular dynamics (LVMD) simulations are performed to reinvestigate the phase transition and solvation force oscillation behavior of a simple argon liquid film confined between two solid surfaces. Our simulations present a novel scenario in which the n → n - 1 layering transitions are accompanied by the formation, climb, and annihilation of Frank partial dislocations during the squeeze-out process under compression. This is indicated by the splitting of the repulsive peaks in the solvation force profile. The detailed analysis reveals that the formation-climb-annihilation mechanism of Frank dislocation occurs during approach and disappears during receding, which would result in force hysteresis. In combination with our recent works, this study provides new insights into the physical property of nanoconfined lubricant films in boundary lubrication.
进行液-气分子动力学（LVMD）模拟，以重新研究限制在两个固体表面之间的简单氩液膜的相变和溶剂化力振荡行为。我们的模拟呈现了一种新情况，即在压缩下的挤出过程中，n → n - 1层状转变伴随着弗兰克部分位错的形成、攀爬和湮灭。这由溶剂化力曲线中排斥峰的分裂表明。详细分析表明，弗兰克位错的形成-攀爬-湮灭机制在接近过程中发生，在后退过程中消失，这将导致力滞后。结合我们最近的工作，本研究为边界润滑中纳米受限润滑膜的物理性质提供了新的见解。
