Gianetti Melisa M, Guerra Roberto, Vanossi Andrea, Urbakh Michael, Manini Nicola
Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, Milano 20133, Italy.
Center for Complexity and Biosystems, Department of Physics, University of Milan, via Celoria 16, Milano 20133, Italy.
J Phys Chem C Nanomater Interfaces. 2022 Feb 10;126(5):2797-2805. doi: 10.1021/acs.jpcc.1c09542. Epub 2022 Feb 1.
We introduce a model for zwitterionic monolayers and investigate its tribological response to changes in applied load, sliding velocity, and temperature by means of molecular-dynamics simulations. The proposed model exhibits different regimes of motion depending on temperature and sliding velocity. We find a remarkable increase of friction with temperature, which we attribute to the formation and rupture of transient bonds between individual molecules of opposite sliding layers, triggered by the out-of-plane thermal fluctuations of the molecules' orientations. To highlight the effect of the molecular charges, we compare these results with analogous simulations for the charge-free system. These findings are expected to be relevant to nanoscale rheology and tribology experiments of locally-charged lubricated systems such as, e.g., experiments performed on zwitterionic monolayers, phospholipid micelles, or confined polymeric brushes in a surface force apparatus.
我们引入了一种用于两性离子单层的模型,并通过分子动力学模拟研究了其对施加负载、滑动速度和温度变化的摩擦学响应。所提出的模型根据温度和滑动速度表现出不同的运动状态。我们发现摩擦随温度显著增加,这归因于由分子取向的面外热涨落引发的相对滑动层中单个分子之间瞬态键的形成和断裂。为了突出分子电荷的影响,我们将这些结果与无电荷系统的类似模拟进行了比较。这些发现预计与局部带电润滑系统的纳米级流变学和摩擦学实验相关,例如在两性离子单层、磷脂微团或表面力装置中的受限聚合物刷上进行的实验。