| Effect of Strain Rate, Temperature, Vacancy, and Microcracks on Mechanical Properties of 8-16-4 Graphyne | |
| Peng Q(彭庆)1,2,3; Huang, Zeyu2,4,5; Chen, Gen2,4,5; Zhang, Yuqiang4,5; Zhang, Xiaofan2,6; Chen, XiaoJia1; Hu, Zhongwei4,5 | |
| Corresponding Author | Peng, Qing([email protected]) ; Chen, Xiao-Jia([email protected]) ; Hu, Zhongwei([email protected]) |
| Source Publication | NANOMATERIALS
 |
| 2024-03-01 | |
| Volume | 14Issue:6Pages:15 |
| Abstract | The 8-16-4 graphyne, a recently identified two-dimensional carbon allotrope, exhibits distinctive mechanical and electrical properties, making it a candidate material for flexible electronic applications. This study endeavors to enhance our comprehension of the fracture behavior and mechanical properties of 8-16-4 graphyne. The mechanical properties of 8-16-4 graphyne were evaluated through molecular dynamics simulations, examining the impact of boundary conditions, temperature, and strain rate, as well as the coupled interactions between temperature, vacancy defects, and microcracks. The findings reveal that 8-16-4 graphyne undergoes fracture via the cleavage of ethylene bonds at a critical strain value of approximately 0.29. Variations in boundary conditions and strain rate influence the fidelity of tensile simulation outcomes. Temperature, vacancy concentration, and the presence of microcracks markedly affect the mechanical properties of 8-16-4 graphyne. In contrast to other carbon allotropes, 8-16-4 graphyne exhibits a diminished sensitivity to vacancy defects in its mechanical performance. However, carbon vacancies at particular sites are more prone to initiating cracks. Furthermore, pre-existing microcracks within the material can potentially alter the fracture mode. |
| Keyword | 8-16-4 graphyne mechanical properties molecular dynamics vacancy defect microcrack |
| DOI | 10.3390/nano14060556 |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:001192443500001 |
| WOS Keyword | ELECTRONIC-PROPERTIES ; ELASTIC PROPERTIES ; TENSILE BEHAVIOR ; LAYER GRAPHENE ; CARBON ; FRACTURE ; SIZE ; MONOLAYER ; STRENGTH ; DEFECTS |
| WOS Research Area | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| WOS Subject | Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied |
| Funding Project | Shenzhen Science and Technology Program |
| Funding Organization | Shenzhen Science and Technology Program |
| Classification | 二类/Q1 |
| Ranking | 1 |
| Contributor | Peng, Qing ; Chen, Xiao-Jia ; Hu, Zhongwei |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/94876 |
| Collection | 非线性力学国家重点实验室 |
| Affiliation | 1.Harbin Inst Technol, Sch Sci, Shenzhen 518055, Peoples R China; 2.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China; 3.Guangdong Aerosp Res Acad, Guangzhou 511458, Peoples R China; 4.Huaqiao Univ, Inst Mfg Engn, Xiamen 361021, Peoples R China; 5.Huaqiao Univ, Inst Mech Engn & Automat, Xiamen 361021, Peoples R China; 6.Chongqing Univ, Coll Aerosp Engn, Chongqing 400044, Peoples R China |
| Recommended Citation GB/T 7714 | Peng Q,Huang, Zeyu,Chen, Gen,et al. Effect of Strain Rate, Temperature, Vacancy, and Microcracks on Mechanical Properties of 8-16-4 Graphyne[J]. NANOMATERIALS,2024,14,6,:15.Rp_Au:Peng, Qing, Chen, Xiao-Jia, Hu, Zhongwei |
| APA | 彭庆.,Huang, Zeyu.,Chen, Gen.,Zhang, Yuqiang.,Zhang, Xiaofan.,...&Hu, Zhongwei.(2024).Effect of Strain Rate, Temperature, Vacancy, and Microcracks on Mechanical Properties of 8-16-4 Graphyne.NANOMATERIALS,14(6),15. |
| MLA | 彭庆,et al."Effect of Strain Rate, Temperature, Vacancy, and Microcracks on Mechanical Properties of 8-16-4 Graphyne".NANOMATERIALS 14.6(2024):15. |
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