Abstract Carbyne composed of sp-hybridized carbon atoms is perfectly one-dimensional material, showing superior mechanical properties as a promising building material for nanodevices. Such nanomaterials as carbon nanotube ropes with hierarchical helical structures hold a promise for potential applications. Here, a bottom-up theoretical model is established to investigate the mechanical properties of this kind of novel nanomaterials. The effect of helical structures is revealed by comparing the mechanical properties of carbyne ropes. The dependence of the mechanical properties of materials on the initial helical angles and fiber numbers at different structural levels are examined. Carbyne ropes are found with higher deformation ability and elastic property which can be easily tuned via their microstructural parameters. This work provides inspirations for optimal design of advanced nanomaterials with helical structures.

中文翻译：

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螺旋扭曲卡宾纤维的力学性能

摘要 由 sp 杂化碳原子组成的卡宾是完美的一维材料，显示出优异的机械性能，是一种有前途的纳米器件构建材料。具有分层螺旋结构的碳纳米管绳等纳米材料具有潜在应用前景。在这里，建立了自下而上的理论模型来研究这种新型纳米材料的机械性能。通过比较卡炔绳的机械性能，揭示了螺旋结构的影响。检查了材料的机械性能对不同结构水平的初始螺旋角和纤维数量的依赖性。发现卡宾绳具有更高的变形能力和弹性，可以通过其微观结构参数轻松调整。