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首页> 外文期刊>Tribology International >Nonequilibrium molecular dynamics simulations of stearic acid adsorbed on iron surfaces with nanoscale roughness
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Nonequilibrium molecular dynamics simulations of stearic acid adsorbed on iron surfaces with nanoscale roughness

机译：用纳米级粗糙度吸附在铁表面上的硬脂酸的分子动力学模拟

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Nonequilibrium molecular dynamics (NEMD) simulations have been used to examine the structure and friction of stearic acid films adsorbed on iron surfaces with nanoscale roughness. The effect of pressure, stearic acid coverage, and level of surface roughness were investigated. The direct contact of asperities was prevented under all of the conditions simulated due to strong adsorption, which prevented squeeze-out. An increased coverage generally resulted in lower lateral (friction) forces due to reductions in both the friction coefficient and Derjaguin offset. Rougher surfaces led to more liquidlike, disordered films; however, the friction coefficient and Derjaguin offset were only slightly increased. This suggests that stearic acid films are almost as effective on contact surfaces with nanoscale roughness as those which are atomically-smooth.
机译：非平衡分子动力学（NEMD）模拟已被用于研究硬脂酸薄膜的结构和摩擦，硬脂酸薄膜吸附在具有纳米级粗糙度的铁表面上。研究了压力、硬脂酸覆盖率和表面粗糙度的影响。在所有模拟条件下，由于强烈的吸附作用，防止了微凸体的直接接触，从而防止了挤压。由于摩擦系数和Derjaguin偏移量减小，覆盖范围的增加通常会导致横向（摩擦力）降低。粗糙的表面会形成更像液体的无序薄膜；然而，摩擦系数和Derjaguin偏移量仅略有增加。这表明硬脂酸薄膜在纳米级粗糙度的接触表面上几乎和原子级光滑的接触表面一样有效。

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