| Temperature-dependent mechanical properties and the microscopic deformation mechanism of bilayer gamma-graphdiyne under tension | |
Song,Bo1,2; Yang,Bolin1,2; Zhang,Cun3,4; Wang C(王超)5 ; Chen,Shaohua1,2
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| Corresponding Author | Zhang, Cun([email protected]) ; Chen, Shaohua([email protected]) |
| Source Publication | NANOTECHNOLOGY
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| 2023 | |
| Volume | 34Issue:1Pages:8 |
| ISSN | 0957-4484 |
| Abstract | 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. |
| Keyword | bilayer-gamma-graphdiyne mechanical properties brittle-to-ductile transition microscopic deformation mechanism molecular dynamics |
| DOI | 10.1088/1361-6528/ac952e |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:000871148200001 |
| WOS Keyword | ELECTRONIC-PROPERTIES ; DUCTILE TRANSITION ; GRAPHYNE ; DYNAMICS ; BEHAVIOR ; CARBON ; FRACTURE ; BRITTLE ; NANOTUBES ; FAMILY |
| WOS Research Area | Science & Technology - Other Topics ; Materials Science ; Physics |
| WOS Subject | Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied |
| Funding Project | National Natural Science Foundation, China[12032004] ; National Natural Science Foundation, China[11872114] ; National Natural Science Foundation, China[11502150] ; GHfund B[20220202] ; GHfund B[202202026154] |
| Funding Organization | National Natural Science Foundation, China ; GHfund B |
| Classification | 二类 |
| Ranking | 3+ |
| Contributor | Zhang, Cun ; Chen, Shaohua |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/90425 |
| Collection | 非线性力学国家重点实验室 |
| Affiliation | 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 |
| Recommended Citation 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.Rp_Au:Zhang, Cun, Chen, Shaohua |
| 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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| Jp2023Fa328.pdf（2068KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
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