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

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

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As a potential building block for the next generation of devices/multifunctional materials that are spreading 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 transit from a brittle to a ductile characteristic by varying the length of the poly-benzene sections, suggesting that DNT possesses entirely different mechanical responses than other 1D carbon allotropies. 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 creation of extremely strong three-dimensional nano-architectures.

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ID Code: 95797
Item Type: Journal Article
Refereed: Yes
Additional URLs:
Keywords: tunable ductility, brittle-to-ductile transition, diamond nanothread, Young's modulus
DOI: 10.1039/C6NR02414A
ISSN: 2040-3372
Subjects: Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MATERIALS ENGINEERING (091200) > Functional Materials (091205)
Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MECHANICAL ENGINEERING (091300) > Numerical Modelling and Mechanical Characterisation (091307)
Australian and New Zealand Standard Research Classification > TECHNOLOGY (100000) > NANOTECHNOLOGY (100700) > Nanoscale Characterisation (100712)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Facilities: HPC – QUT Supercomputer
Copyright Owner: Copyright 2016 The Royal Society of Chemistry
Copyright Statement: This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence
Deposited On: 26 May 2016 22:44
Last Modified: 29 May 2016 22:33

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