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Temperature-dependent brittle-ductile transition of alpha-graphyne nanotubes under uniaxial tension

文献类型：期刊论文

作者Zhang, Cun1,2,6; Yang, Bolin5; Wang C(王超)4; Liu, Jinxi2,6; Feng, Wenjie1,2; Fang, Xueqian1,2,6; Chen, Shaohua3,5
刊名COMPUTATIONAL MATERIALS SCIENCE
出版日期2021-02-01
卷号187页码:7
关键词alpha-Graphyne nanotube Brittle-ductile transition Mechanical property Temperature Atomic structure evolution
ISSN号0927-0256
DOI10.1016/j.commatsci.2020.110083
通讯作者Chen, Shaohua(chenshaohua72@hotmail.com)
英文摘要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 .
分类号二类
WOS关键词GRAPHDIYNE NANOSHEETS ; MECHANICAL-PROPERTIES ; CARBON NANOTUBES ; MOLECULAR-DYNAMICS ; BORON-NITROGEN ; GAMMA-GRAPHYNE ; ARCHITECTURE ; PERFORMANCE ; BEHAVIORS ; TRANSPORT
资助项目NSFC[11502150] ; NSFC[11532013] ; NSFC[11872114] ; Natural Science Foundation of Hebei Province[A2016210060] ; Higher Education Youth Talents Program of Hebei Province[BJ2017052]
WOS研究方向Materials Science
语种英语
WOS记录号WOS:000600373200001
资助机构NSFC ; Natural Science Foundation of Hebei Province ; Higher Education Youth Talents Program of Hebei Province
其他责任者Chen, Shaohua
源URL[http://dspace.imech.ac.cn/handle/311007/85912]  
专题力学研究所_非线性力学国家重点实验室
作者单位1.Shijiazhuang Tiedao Univ, Dept Engn Mech, Shijiazhuang 050043, Hebei, Peoples R China
2.Shijiazhuang Tiedao Univ, Hebei Key Lab Smart Mat & Struct Mech, Shijiazhuang 050043, Hebei, Peoples R China;
3.Beijing Inst Technol, Beijing Key Lab Lightweight Multifunct Composite, Beijing 100081, Peoples R China;
4.Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China;
5.Beijing Inst Technol, Inst Adv Struct Technol, Beijing 100081, Peoples R China;
6.Shijiazhuang Tiedao Univ, State Key Lab Mech Behav & Syst Safety Traff Engn, Shijiazhuang 050043, Hebei, Peoples R China;
推荐引用方式
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.
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.

入库方式： OAI收割

来源：力学研究所

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