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Temperature-dependent mechanical properties and the microscopic deformation mechanism of bilayer gamma-graphdiyne under tension

文献类型：期刊论文

作者Song, Bo4,5; Yang, Bolin4,5; Zhang, Cun2,3; Wang, Chao1; Chen, Shaohua4,5; Wang C(王超)
刊名NANOTECHNOLOGY
出版日期2023
卷号34期号:1页码:8
ISSN号0957-4484
关键词bilayer-gamma-graphdiyne mechanical properties brittle-to-ductile transition microscopic deformation mechanism molecular dynamics
DOI10.1088/1361-6528/ac952e
通讯作者Zhang, Cun(zhangcun@stdu.edu.cn) ; Chen, Shaohua(chenshaohua72@hotmail.com)
英文摘要gamma-graphdiyne (gamma-GDY) is a new two-dimensional carbon allotrope that has received increasing attention in scientific and engineering fields. The mechanical properties of gamma-GDY should be thoroughly understood for realizing their practical applications. Although gamma-GDY is synthesized and employed mainly in their bilayer or multilayer forms, previous theoretical studies mainly focused on the single-layer form. To evaluate the characteristics of the multilayer form, the mechanical properties of the bilayer gamma-GDY (gamma-BGDY) were tested under uniaxial tension using the molecular dynamics simulations. The stress-strain relation of gamma-BGDY is highly temperature-dependent and exhibits a brittle-to-ductile transition with increasing temperature. When the temperature is below the critical brittle-to-ductile transition temperature, gamma-BGDY cracks in a brittle manner and the fracture strain decreases with increasing temperature. Otherwise, it exhibits ductile characteristics and the fracture strain increases with temperature. Such a temperature-dependent brittle-to-ductile transition is attributed to the interlayer cooperative deformation mechanism, in which the co-rearrangement of neighboring layers is dominated by thermal vibrations of carbon atoms in diacetylenic chains. Furthermore, the brittle-to-ductile transition behavior of gamma-BGDY is independent of loading direction and loading rate. The ultimate stress and Young's modulus decrease at higher temperatures. These results are beneficial for the design of advanced gamma-GDY-based devices.
WOS关键词ELECTRONIC-PROPERTIES ; DUCTILE TRANSITION ; GRAPHYNE ; DYNAMICS ; BEHAVIOR ; CARBON ; FRACTURE ; BRITTLE ; NANOTUBES ; FAMILY
资助项目National Natural Science Foundation, China[12032004] ; National Natural Science Foundation, China[11872114] ; National Natural Science Foundation, China[11502150] ; GHfund B[20220202] ; GHfund B[202202026154]
WOS研究方向Science & Technology - Other Topics ; Materials Science ; Physics
语种英语
WOS记录号WOS:000871148200001
资助机构National Natural Science Foundation, China ; GHfund B
源URL[http://dspace.imech.ac.cn/handle/311007/90424]  
专题力学研究所_非线性力学国家重点实验室
通讯作者Zhang, Cun; Chen, Shaohua
作者单位1.Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China
2.Shijiazhuang Tiedao Univ, Hebei Key Lab Smart Mat & Struct Mech, Shijiazhuang 050043, Hebei, Peoples R China
3.Shijiazhuang Tiedao Univ, Dept Engn Mech, Shijiazhuang 050043, Hebei, Peoples R China
4.Beijing Inst Technol, Beijing Key Lab Lightweight Multifunct Composite, Beijing 100081, Peoples R China
5.Beijing Inst Technol, Inst Adv Struct Technol, Beijing 100081, Peoples R China
推荐引用方式
GB/T 7714		 Song, Bo,Yang, Bolin,Zhang, Cun,et al. Temperature-dependent mechanical properties and the microscopic deformation mechanism of bilayer gamma-graphdiyne under tension[J]. NANOTECHNOLOGY,2023,34(1):8.
APA Song, Bo,Yang, Bolin,Zhang, Cun,Wang, Chao,Chen, Shaohua,&王超.(2023).Temperature-dependent mechanical properties and the microscopic deformation mechanism of bilayer gamma-graphdiyne under tension.NANOTECHNOLOGY,34(1),8.
MLA Song, Bo,et al."Temperature-dependent mechanical properties and the microscopic deformation mechanism of bilayer gamma-graphdiyne under tension".NANOTECHNOLOGY 34.1(2023):8.

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来源：力学研究所

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