From brittle to ductile: a structure dependent ductility of diamond nanothread

Zhan, Haifei and Zhang, Gang and Tan, Vincent B. C. and Cheng, Yuan and Bell, John M. and Zhang, Yong-Wei and Gu, Yuantong (2016) From brittle to ductile: a structure dependent ductility of diamond nanothread. Nanoscale, 8 (21). pp. 11177-11184. ISSN 2040-3364

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As a potential building block for the next generation of devices/multifunctional materials that are spreading in almost every technology sector, one-dimensional (1D) carbon nanomaterial has received intensive research interests. Recently, a new ultra-thin diamond nanothread (DNT) has joined this palette, which is a 1D structure with poly-benzene sections connected by Stone-Wales (SW) transformation defects. Using large-scale molecular dynamics simulations, we found that this sp3 bonded DNT can transition from brittle to ductile behaviour by varying the length of the poly-benzene sections, suggesting that DNT possesses entirely different mechanical responses than other 1D carbon allotropes. Analogously, the SW defects behave like a grain boundary that interrupts the consistency of the poly-benzene sections. For a DNT with a fixed length, the yield strength fluctuates in the vicinity of a certain value and is independent of the 'grain size'. On the other hand, both yield strength and yield strain show a clear dependence on the total length of DNT, which is due to the fact that the failure of the DNT is dominated by the SW defects. Its highly tunable ductility together with its ultra-light density and high Young's modulus makes diamond nanothread ideal for the creation of extremely strong three-dimensional nano-architectures.

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Item Type: Article (Commonwealth Reporting Category C)
Refereed: Yes
Item Status: Live Archive
Faculty/School / Institute/Centre: No Faculty
Faculty/School / Institute/Centre: No Faculty
Date Deposited: 17 Sep 2020 05:33
Last Modified: 30 Sep 2020 01:29
Uncontrolled Keywords: benzene; defects; ductility; elastic moduli; grain boundaries; molecular dynamics; yield stress
Fields of Research (2008): 10 Technology > 1007 Nanotechnology > 100708 Nanomaterials
Fields of Research (2020): 40 ENGINEERING > 4018 Nanotechnology > 401807 Nanomaterials
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