The rough contact plays an important role in the adhesion of carbon fiber/polymer matrix interface and interface modeling techniques are integral to quantify the effects of roughness factors on material properties. Taking the popular CF/PEEK materials as the object, an atomic method is proposed to construct CF/PEEK rough interfaces in this paper, which adopts a sinusoidal form to change the roughness regularly. Based on molecular dynamics (MD) simulations, CF/PEEK tensile separation experiment is processed and the response of the CF/PEEK interfaces with different roughness under mechanical loading are investigated. Based on the recorded CF/PEEK atomic force-displacement behavior, innovating roughness parameters, a traction separation law for the interface region is proposed. This study found the contact area between the two phases, which can be greatly improved through rough structures, determines the interfacial adhesion strength. In addition, this study observes interesting phenomena through the capturing atomic states, such as the polymer chains at the boundary between the two phases are greatly stretched.

中文翻译：

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CF/PEEK纳米复合材料粗糙界面的连接与分离行为


粗糙接触在碳纤维/聚合物基体界面的粘附中起着重要作用，界面建模技术对于量化粗糙度因素对材料性能的影响是不可或缺的。本文以流行的CF/PEEK材料为对象，提出了一种构造CF/PEEK粗糙界面的原子方法，采用正弦形式定期改变粗糙度。基于分子动力学（MD）模拟，进行了CF/PEEK拉伸分离实验，研究了不同粗糙度的CF/PEEK界面在机械载荷下的响应。基于记录的CF/PEEK原子力-位移行为，创新粗糙度参数，提出了界面区域的牵引分离定律。这项研究发现，两相之间的接触面积（可以通过粗糙结构大大改善）决定了界面粘合强度。此外，这项研究通过捕获原子态观察到有趣的现象，例如两相边界处的聚合物链被极大地拉伸。