Effect of the sliding orientation on the tribological properties of polyethylene in molecular dynamics simulations
Effect of the sliding orientation on the tribological properties of polyethylene in molecular dynamics simulations
复制标题
分子动力学模拟中滑动方向对聚乙烯摩擦学性能的影响
DOI：
10.1063/1.2900884
复制
发表时间：
2008
影响因子：
3.2
通讯作者：
S. Sinnott
中科院分区：
文献类型：
--
作者：
Seongjun Heo;I. Jang;Peter R. Barry;S. Phillpot;S. Perry;W. Sawyer;S. Sinnott
通过使用经典分子动力学模拟研究滑动方向对聚乙烯 (PE) 摩擦学性能的作用。交联的 PE 表面在两个不同的方向上相互滑动：一个垂直于聚合物链的排列方向，另一个平行于聚合物链的排列方向。结果表明，平行方向滑动的摩擦系数低于垂直方向滑动的摩擦系数。在这两种情况下，观察到总体水平的粘滑运动与受约束的波纹分子界面的滑动相关。此外，模拟还演示了系统在垂直方向滑动期间存储更多剪切应变能的方式。将这些 PE 表面的摩擦学行为与类似模型的聚四氟乙烯表面的行为进行比较；讨论了两个系统之间的差异和相似之处。
The role of sliding orientation on the tribological properties of polyethylene (PE) is investigated by using classical molecular dynamics simulations. Cross-linked PE surfaces slide against one another in two different directions: one that is perpendicular to and one that is parallel to the aligned direction of the polymer chains. The results indicate that sliding in the parallel direction occurs with a lower friction coefficient than sliding in the perpendicular direction. In both cases, gross level stick-slip motion is observed to be associated with the sliding of a restrained, corrugated molecular interface. In addition, the simulations demonstrate the way in which the system stores more shear strain energy during sliding in the perpendicular direction. The tribological behavior of these PE surfaces is compared to the behavior of similarly modeled polytetrafluoroethylene surfaces; the differences and similarities between the two systems are discussed.