| Temperature-dependent brittle-ductile transition of alpha-graphyne nanotubes under uniaxial tension | |
Zhang, Cun1,5,6 ; Yang, Bolin2; Wang C(王超)3; Liu, Jinxi1,5; Feng, Wenjie5,6; Fang, Xueqian1,5,6; Chen, Shaohua2,4
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| Corresponding Author | Chen, Shaohua([email protected]) |
| Source Publication | COMPUTATIONAL MATERIALS SCIENCE
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| 2021-02-01 | |
| Volume | 187Pages:7 |
| ISSN | 0927-0256 |
| Abstract | As a novel one-dimensional full-carbon allotrope, the tensile property of alpha-graphyne nanotubes (alpha-GNTs) under different temperatures was studied with the reactive molecular dynamics method. A very interesting phenomenon of temperature-dependent brittle-ductile transition for carbon nanomaterials was found no matter what the chirality of the alpha-GNT is. The alpha-GNT shows a brittle behavior with an ultimate strain of -0.2 at relatively low temperatures. When the temperature is higher than a critical temperature, it exhibits a ductile behavior with an ultimate strain of -0.4. The ultimate strain first decreases and then increases with the increase of temperature. The fundamental mechanism of such a brittle-ductile transition phenomenon was first revealed, which is mainly due to the thermal activation energy-controlled microstructure evolution. Beyond the critical temperature, the atomic structures around some hexagonal corners in alpha-GNTs would recombine through the continuous formation and annihilation of some new triangular structures. Such a mechanism is totally different from the Stone-Wales defect-induced brittle-ductile transition mechanism in carbon nanotubes (Nardelli et al, Phys. Rev. Lett, 1998, 81 (21): 4656). The influence of temperature on the other physical parameters of alpha-GNTs, such as the Young's modulus, yield strength, ultimate stress, was also systematically studied. The results in this paper, especially the brittle-ductile transition mechanism, would be of great help to the subsequent study and application of alpha-GNTs . |
| Keyword | alpha-Graphyne nanotube Brittle-ductile transition Mechanical property Temperature Atomic structure evolution |
| DOI | 10.1016/j.commatsci.2020.110083 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:000600373200001 |
| WOS Keyword | GRAPHDIYNE NANOSHEETS ; MECHANICAL-PROPERTIES ; CARBON NANOTUBES ; MOLECULAR-DYNAMICS ; BORON-NITROGEN ; GAMMA-GRAPHYNE ; ARCHITECTURE ; PERFORMANCE ; BEHAVIORS ; TRANSPORT |
| WOS Research Area | Materials Science |
| WOS Subject | Materials Science, Multidisciplinary |
| Funding Project | NSFC[11502150] ; NSFC[11532013] ; NSFC[11872114] ; Natural Science Foundation of Hebei Province[A2016210060] ; Higher Education Youth Talents Program of Hebei Province[BJ2017052] |
| Funding Organization | NSFC ; Natural Science Foundation of Hebei Province ; Higher Education Youth Talents Program of Hebei Province |
| Classification | 二类 |
| Ranking | 3 |
| Contributor | Chen, Shaohua |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/85913 |
| Collection | 非线性力学国家重点实验室 |
| Affiliation | 1.Shijiazhuang Tiedao Univ, State Key Lab Mech Behav & Syst Safety Traff Engn, Shijiazhuang 050043, Hebei, Peoples R China; 2.Beijing Inst Technol, Inst Adv Struct Technol, Beijing 100081, Peoples R China; 3.Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China; 4.Beijing Inst Technol, Beijing Key Lab Lightweight Multifunct Composite, Beijing 100081, Peoples R China; 5.Shijiazhuang Tiedao Univ, Hebei Key Lab Smart Mat & Struct Mech, Shijiazhuang 050043, Hebei, Peoples R China; 6.Shijiazhuang Tiedao Univ, Dept Engn Mech, Shijiazhuang 050043, Hebei, Peoples R China |
| Recommended Citation GB/T 7714 | Zhang, Cun,Yang, Bolin,Wang C,et al. Temperature-dependent brittle-ductile transition of alpha-graphyne nanotubes under uniaxial tension[J]. COMPUTATIONAL MATERIALS SCIENCE,2021,187:7.Rp_Au:Chen, Shaohua |
| APA | Zhang, Cun.,Yang, Bolin.,王超.,Liu, Jinxi.,Feng, Wenjie.,...&Chen, Shaohua.(2021).Temperature-dependent brittle-ductile transition of alpha-graphyne nanotubes under uniaxial tension.COMPUTATIONAL MATERIALS SCIENCE,187,7. |
| MLA | Zhang, Cun,et al."Temperature-dependent brittle-ductile transition of alpha-graphyne nanotubes under uniaxial tension".COMPUTATIONAL MATERIALS SCIENCE 187(2021):7. |
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| Jp2021055.pdf（9380KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
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