| Effects of size and shape of hole defects on mechanical properties of biphenylene: a molecular dynamics study | |
| Xiao, Shuoyang1; Hao JN(郝剑楠)2; Shi, Tan3; Jin, Jianfeng4; Wu, Bin1; Peng Q(彭庆)2,5,6 | |
| Corresponding Author | Wu, Bin([email protected]) ; Peng, Qing([email protected]) |
| Source Publication | NANOTECHNOLOGY
 |
| 2024-11-25 | |
| Volume | 35Issue:48Pages:10 |
| ISSN | 0957-4484 |
| Abstract | The distinctive multi-ring structure and remarkable electrical characteristics of biphenylene render it a material of considerable interest, notably for its prospective utilization as an anode material in lithium-ion batteries. However, understanding the mechanical traits of biphenylene is essential for its application, particularly due to the volumetric fluctuations resulting from lithium ion insertion and extraction during charging and discharging cycles. In this regard, this study investigates the performance of pristine biphenylene and materials embedded with various types of hole defects under uniaxial tension utilizing molecular dynamics simulations. Specifically, from the stress-strain curves, we obtained key mechanical properties, including toughness, strength, Young's modulus and fracture strain. It was observed that various near-circular hole (including circular, square, hexagonal, and octagonal) defects result in remarkably similar properties. A more quantitative scaling analysis revealed that, in comparison with the exact shape of the defect, the area of the defect is more critical for determining the mechanical properties of biphenylene. Our finding might be beneficial to the defect engineering of two-dimensional materials. |
| Keyword | biphenylene two-dimensional (2D) material molecular dynamics mechanical properties defects |
| DOI | 10.1088/1361-6528/ad7509 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:001308946900001 |
| WOS Keyword | 2-DIMENSIONAL MATERIALS ; ELECTRONIC-PROPERTIES ; GRAPHENE ; SIMULATION ; NANOTUBES ; CHEMISTRY ; PROGRESS ; NETWORK ; PHASE ; SHEET |
| 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 of Chinahttp://dx.doi.org/10.13039/501100001809[XDB0620103] ; Strategic Priority Research Program of Chinese Academy of Sciences[12272378] ; National Natural Science Foundation of China[2020B0909010003] ; High-level Innovation Research Institute Program of Guangdong Province |
| Funding Organization | National Natural Science Foundation of Chinahttp://dx.doi.org/10.13039/501100001809 ; Strategic Priority Research Program of Chinese Academy of Sciences ; National Natural Science Foundation of China ; High-level Innovation Research Institute Program of Guangdong Province |
| Classification | 二类 |
| Ranking | 1 |
| Contributor | Wu, Bin ; Peng, Qing |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/96576 |
| Collection | 非线性力学国家重点实验室 |
| Affiliation | 1.Beijing Normal Univ, Sch Phys & Astron, Beijing 100875, Peoples R China; 2.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China; 3.Xi An Jiao Tong Univ, Sch Nucl Sci & Technol, Xian 710049, Peoples R China; 4.Northeastern Univ, Sch Mat Sci & Engn, Shenyang 110819, Peoples R China; 5.Univ Chinese Acad Sci, Ctr Mat Sci & Optoelect Engn, Beijing 100049, Peoples R China; 6.Guangdong Aerosp Res Acad, Guangzhou 511458, Peoples R China |
| Recommended Citation GB/T 7714 | Xiao, Shuoyang,Hao JN,Shi, Tan,et al. Effects of size and shape of hole defects on mechanical properties of biphenylene: a molecular dynamics study[J]. NANOTECHNOLOGY,2024,35,48,:10.Rp_Au:Wu, Bin, Peng, Qing |
| APA | Xiao, Shuoyang,郝剑楠,Shi, Tan,Jin, Jianfeng,Wu, Bin,&彭庆.(2024).Effects of size and shape of hole defects on mechanical properties of biphenylene: a molecular dynamics study.NANOTECHNOLOGY,35(48),10. |
| MLA | Xiao, Shuoyang,et al."Effects of size and shape of hole defects on mechanical properties of biphenylene: a molecular dynamics study".NANOTECHNOLOGY 35.48(2024):10. |
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