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arXiv 2304.03043cond-mat.softcond-mat.mtrl-sci
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在SDS表面活性剂薄膜上滑动的分子动力学模拟

Molecular simulations of sliding on SDS surfactant films

Johannes L. Hörmann, Chenxu Liu, Yonggang Meng, Lars Pastewka

AI总结:

本研究通过分子动力学模拟揭示了物理吸附在金上的SDS单层和半圆柱聚集体的两种摩擦状态及其转变机制,发现高载荷下摩擦力随密度单调增加符合犁沟模型,低载荷下摩擦系数最小值源于粘附、排斥与犁沟效应的竞争。

摘要:

我们使用分子动力学模拟研究了阴离子表面活性剂十二烷基硫酸钠(SDS)单层和物理吸附在金上的半圆柱聚集体的摩擦响应。我们对滑动球形微凸体的模拟揭示了两种摩擦状态:在低载荷下,薄膜表现出Amontons摩擦定律,摩擦力随法向载荷线性增加。在高载荷下,只要不发生直接的固-固接触,摩擦力就与载荷无关。当滑动体之间的间隙中仅限制单分子层时,这两种状态之间发生转变。单分子层在高载荷下的摩擦力随薄膜密度单调增加,并在转变为半圆柱聚集体时略有下降。这种摩擦力的单调增加与传统的滑动摩擦犁沟模型一致。在低载荷下,摩擦系数在中等表面浓度处达到最小值。我们将这种行为归因于粘附力、压缩薄膜的排斥力以及犁沟效应开始之间的竞争。

英文摘要:

We use molecular dynamics simulations to study the frictional response of the anionic surfactant sodium dodecyl sulfate (SDS) monolayers and hemicylindrical aggregates physisorbed on gold. Our simulations of a sliding spherical asperity reveals two friction regimes: At low loads, the films show Amontons' friction with a friction force that rises linearly with normal load. At high loads, the friction force is independent of load as long as no direct solid-solid contact occurs. The transition between these two regimes happens when only a single molecular layer is confined in the gap between the sliding bodies. The friction force at high loads on a monolayer rises monotonically with film density and drops slightly with the transition to hemicylindrical aggregates. This monotonous increase of friction force is compatible with a traditional plowing model of sliding friction. At low loads, the friction coefficient reaches a minimum at intermediate surface concentrations. We attribute this behavior to a competition between adhesive forces, repulsion of the compressed film, and the onset of plowing.

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