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

doi:10.1088/1361-6528/ac952e

IMECH-IR > 非线性力学国家重点实验室

	Temperature-dependent mechanical properties and the microscopic deformation mechanism of bilayer gamma-graphdiyne under tension
	Song,Bo 1,2; Yang,Bolin 1,2; Zhang,Cun 3,4; Wang C(王超)5 ; Chen,Shaohua 1,2
通讯作者	Zhang, Cun(zhangcun@stdu.edu.cn) ; Chen, Shaohua(chenshaohua72@hotmail.com)
发表期刊	NANOTECHNOLOGY
	2023
卷号	34 期号:1 页码:8
ISSN	0957-4484
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.
关键词	bilayer-gamma-graphdiyne mechanical properties brittle-to-ductile transition microscopic deformation mechanism molecular dynamics
DOI	10.1088/1361-6528/ac952e
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000871148200001
关键词[WOS]	ELECTRONIC-PROPERTIES ; DUCTILE TRANSITION ; GRAPHYNE ; DYNAMICS ; BEHAVIOR ; CARBON ; FRACTURE ; BRITTLE ; NANOTUBES ; FAMILY
WOS研究方向	Science & Technology - Other Topics ; Materials Science ; Physics
WOS类目	Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
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]
项目资助者	National Natural Science Foundation, China ; GHfund B
论文分区	二类
力学所作者排名	3+
RpAuthor	Zhang, Cun ; Chen, Shaohua
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/90425
专题	非线性力学国家重点实验室
作者单位	1.Beijing Inst Technol, Inst Adv Struct Technol, Beijing 100081, Peoples R China; 2.Beijing Inst Technol, Beijing Key Lab Lightweight Multifunct Composite, Beijing 100081, Peoples R China; 3.Shijiazhuang Tiedao Univ, Dept Engn Mech, Shijiazhuang 050043, Hebei, Peoples R China; 4.Shijiazhuang Tiedao Univ, Hebei Key Lab Smart Mat & Struct Mech, Shijiazhuang 050043, Hebei, Peoples R China; 5.Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, 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,王超,&Chen,Shaohua.(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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