CASIA OpenIR
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 PublicationLANGMUIR
ISSN0743-7463
2020-07-07
Volume36Issue:26Pages:7427-7438
Corresponding AuthorLiu, Jun(liujun@mail.buct.edu.cn) ; Zeng, Xiaofei(zengxf@mail.buct.edu.cn)
AbstractThrough 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.
DOI10.1021/acs.langmuir.0c00971
WOS KeywordMOLECULAR-DYNAMICS SIMULATION ; CROSS-LINKING ; NANOPARTICLES ; FILMS ; ELASTOMERS ; INTERFACE ; NETWORKS ; ADHESION ; SCISSION ; CHAIN
Indexed BySCI
Language英语
Funding ProjectNational 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 OrganizationNational Nature Science Foundation of China ; National Natural Science Foundation of China ; Beijing Natural Science Foundation
WOS Research AreaChemistry ; Materials Science
WOS SubjectChemistry, Multidisciplinary ; Chemistry, Physical ; Materials Science, Multidisciplinary
WOS IDWOS:000548555400030
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ia.ac.cn/handle/173211/40180
Collection中国科学院自动化研究所
Corresponding AuthorLiu, Jun; Zeng, Xiaofei
Affiliation1.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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