Tensile properties of functionalized carbon nanothreads

Low dimensional sp3 carbon nanostructures have attracted increasing attention recently, due to their unique properties and appealing applications. Based on in silico studies, this work exploits the impacts from functional groups tensile of nanothreads (NTH) – a new nanostructure. It is found that will alter local bond configuration induce initial stress concentration, which significantly reduces fracture strain/strength NTH. Different types lead different re-configurations, introduce Further studies reveal decreases generally when content increases. However, some NTHs with higher exhibit than counterparts lower percentage. Such observations are attributed synergetic effects sample length, self-oscillation, distribution groups. Simulations show behaviour NTH same percentage differs pattern varies. Overall, ethyl larger degradation methyl phenyl This study provides comprehensive understanding influence groups, should be beneficial engineering applications