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| Mechanical and Self-Healing Behavior of Matrix-Free Polymer Nanocomposites Constructed via Grafted Graphene Nanosheets | |
| Liu, Minghui3; Li, Sai4; Fang, Yue4; Chen, Zhudan5; Alyas, Maha6; Liu, Jun1,2; Zeng, Xiaofei3; Zhang, Liqun1,2 | |
| Source Publication | LANGMUIR
 |
| ISSN | 0743-7463 |
| 2020-07-07 | |
| Volume | 36Issue:26Pages:7427-7438 |
| Corresponding Author | Liu, Jun(liujun@mail.buct.edu.cn) ; Zeng, Xiaofei(zengxf@mail.buct.edu.cn) |
| Abstract | Through molecular dynamics (MD) simulation, the structure and mechanical properties of matrix-free polymer nanocomposites (PNCs) constructed via polymer-grafted graphene nanosheets are studied. The dispersion of graphene sheets is characterized by the radial distribution function (RDF) between graphene sheets. We observe that a longer polymer chain length L-g leads to a relatively better dispersion state attributed to the formation of a better brick-mud structure, effectively screening the van der Waals interactions between sheets. By tuning the interaction strength epsilon(end-end) between end functional groups of grafted chains, we construct physical networks with various robustness characterized by the formation of the fractal clusters at high epsilon(end-end) values. The effects of epsilon(end-end) and L-g on the mechanical properties are examined, and the enhancement of the stress-strain behavior is observed with the increase of epsilon(end-end) and L-g. Structural evolution during deformation is quantified by calculating the orientation of the graphene sheets and their distribution, the stress decomposition, and the size of the clusters formed between end groups and their distribution. Then, we briefly study the effects of time and temperature on the self-healing behavior of these unique PNCs in the rubbery state. Lastly, the self-healing kinetics is quantitatively analyzed. In general, this work can provide some rational guidelines to design and fabricate matrix-free PNCs with both excellent mechanical and self-healing properties. |
| DOI | 10.1021/acs.langmuir.0c00971 |
| WOS Keyword | MOLECULAR-DYNAMICS SIMULATION ; CROSS-LINKING ; NANOPARTICLES ; FILMS ; ELASTOMERS ; INTERFACE ; NETWORKS ; ADHESION ; SCISSION ; CHAIN |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | National Nature Science Foundation of China[51790502] ; National Natural Science Foundation of China[21776016] ; National Natural Science Foundation of China[51873006] ; National Natural Science Foundation of China[21674010] ; National Natural Science Foundation of China[51673013] ; Beijing Natural Science Foundation[2182053] |
| Funding Organization | National Nature Science Foundation of China ; National Natural Science Foundation of China ; Beijing Natural Science Foundation |
| WOS Research Area | Chemistry ; Materials Science |
| WOS Subject | Chemistry, Multidisciplinary ; Chemistry, Physical ; Materials Science, Multidisciplinary |
| WOS ID | WOS:000548555400030 |
| Publisher | AMER CHEMICAL SOC |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.ia.ac.cn/handle/173211/40180 |
| Collection | 中国科学院自动化研究所 |
| Corresponding Author | Liu, Jun; Zeng, Xiaofei |
| Affiliation | 1.Beijing Univ Chem Technol, State Key Lab Organ Inorgan Composites, Beijing Engn Res Ctr Adv Elastomers, Beijing 100029, Peoples R China 2.Beijing Univ Chem Technol, Engn Res Ctr Elastomer Mat Energy Conservat & Res, Beijing 100029, Peoples R China 3.Beijing Univ Chem Technol, State Key Lab Organ Inorgan Composites, Beijing 100029, Peoples R China 4.Beijing Univ Chem Technol, Beijing Engn Res Ctr Adv Elastomers, Beijing 100029, Peoples R China 5.Beijing Univ Chem Technol, Inst Automat, Beijing 100029, Peoples R China 6.CUNY City Coll, Dept Chem Engn, New York, NY 10031 USA |
| Recommended Citation GB/T 7714 | Liu, Minghui,Li, Sai,Fang, Yue,et al. Mechanical and Self-Healing Behavior of Matrix-Free Polymer Nanocomposites Constructed via Grafted Graphene Nanosheets[J]. LANGMUIR,2020,36(26):7427-7438. |
| APA | Liu, Minghui.,Li, Sai.,Fang, Yue.,Chen, Zhudan.,Alyas, Maha.,...&Zhang, Liqun.(2020).Mechanical and Self-Healing Behavior of Matrix-Free Polymer Nanocomposites Constructed via Grafted Graphene Nanosheets.LANGMUIR,36(26),7427-7438. |
| MLA | Liu, Minghui,et al."Mechanical and Self-Healing Behavior of Matrix-Free Polymer Nanocomposites Constructed via Grafted Graphene Nanosheets".LANGMUIR 36.26(2020):7427-7438. |
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