Abstract C3N (2D polyaniline or cyanoethynyl) is a 2D monocrystalline carbon nitride that exhibits mechanical properties comparable to those of graphene and hexagonal boron nitride. Research on its mechanical properties in the nanotube form (C3NNT), however, is still very limited to confirm its viability for, e.g., biomedical and structural applications. Addressing this knowledge gap, this paper investigates the compressive and tensile responses of single-walled C3NNTs using molecular dynamics (MD) simulations. The influences of the slenderness ratio, size, and principal direction of C3NNTs, strain rate, and temperature are considered. The results indicate that higher slender ratios considerably lower C3NNTs' buckling stress and strain but do not influence their elastic modulus. The tensile strength and strain at failure of C3NNTs are observed to be largely independent of diameter and strain rate, especially at lower temperatures. However, the tensile elastic modulus slightly increases by increasing diameter and reducing the strain rate. Increasing temperature substantially reduces the compressive and tensile properties of C3NNTs. In general, C3NNTs exhibit weaker mechanical properties compared with carbon nanotubes.

中文翻译：

---

C3N纳米管的力学性能

摘要 C3N（二维聚苯胺或氰乙炔基）是一种二维单晶氮化碳，其机械性能与石墨烯和六方氮化硼相当。然而，对其在纳米管形式 (C3NNT) 中的机械性能的研究仍然非常有限，以确认其在例如生物医学和结构应用中的可行性。针对这一知识差距，本文使用分子动力学 (MD) 模拟研究了单壁 C3NNT 的压缩和拉伸响应。考虑了C3NNTs的长细比、尺寸和主方向、应变速率和温度的影响。结果表明，较高的细长比显着降低了 C3NNT 的屈曲应力和应变，但不影响其弹性模量。观察到 C3NNT 失效时的拉伸强度和应变在很大程度上与直径和应变率无关，尤其是在较低温度下。然而，通过增加直径和降低应变速率，拉伸弹性模量略有增加。升高温度会显着降低 C3NNT 的压缩和拉伸性能。一般来说，与碳纳米管相比，C3NNTs 表现出较弱的机械性能。