Effect of graphene on thermal stability and mechanical properties of ethylene-vinyl acetate: a molecular dynamics simulation
Graphene has an important positive impact on improving polymer material properties, making the application of composite materials widely available. This paper investigates the influence of graphene on the thermal and mechanical properties of Ethylene-vinyl acetate (EVA) by the molecular dynamics (MD...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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IOP Publishing
2020-01-01
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| Series: | Materials Research Express |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2053-1591/ab79cd |
| _version_ | 1797746448414015488 |
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| author | Jingli Shi Junsheng Yang Jingjing Zhou Hongfei Ji Xin Tang Tao Gao |
| author_facet | Jingli Shi Junsheng Yang Jingjing Zhou Hongfei Ji Xin Tang Tao Gao |
| author_sort | Jingli Shi |
| collection | DOAJ |
| description | Graphene has an important positive impact on improving polymer material properties, making the application of composite materials widely available. This paper investigates the influence of graphene on the thermal and mechanical properties of Ethylene-vinyl acetate (EVA) by the molecular dynamics (MD) simulations. The thermostability and mechanical properties of the graphene/EVA nanocomposites are analyzed in terms of the glass transition temperature ( T _g ), mean-square displacement (MSD), modulus, interfacial binding energy (IBE), stress-strain relationship, yield strength, and tensile strength. The influences of the size of graphene on the thermal stability and mechanical properties of EVA are analyzed and discussed. The simulation result indicated that the glass transition temperature, modulus, yield strength, and ultimate strength of the nanocomposites are higher than that of pristine EVA, which is in good consistent with recent experiments. We attribute this finding to the fact that the strong interfacial bonding of graphene to EVA limits the fluidity of the EVA chains and improves the thermal stability and strength of the graphene/EVA composites. The incorporation of graphene enhanced the thermal stability and mechanical properties of EVA. |
| first_indexed | 2024-03-12T15:36:59Z |
| format | Article |
| id | doaj.art-16b36b422c0b45efaad060b4392bb751 |
| institution | Directory Open Access Journal |
| issn | 2053-1591 |
| language | English |
| last_indexed | 2024-03-12T15:36:59Z |
| publishDate | 2020-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | Materials Research Express |
| spelling | doaj.art-16b36b422c0b45efaad060b4392bb7512023-08-09T16:08:48ZengIOP PublishingMaterials Research Express2053-15912020-01-017303530410.1088/2053-1591/ab79cdEffect of graphene on thermal stability and mechanical properties of ethylene-vinyl acetate: a molecular dynamics simulationJingli Shi0Junsheng Yang1Jingjing Zhou2Hongfei Ji3Xin Tang4Tao Gao5https://orcid.org/0000-0001-9261-8518Institute of Atomic and Molecular Physics, Sichuan University , Chengdu 610065, Sichuan, People’s Republic of ChinaComputational Physics Key Laboratory of Sichuan Province, Yibin University , Yibin, 644007, Sichuan, People’s Republic of ChinaTBEA Deyang Cable Co. Ltd, Deyang, 618000, Sichuan, People’s Republic of ChinaTBEA Deyang Cable Co. Ltd, Deyang, 618000, Sichuan, People’s Republic of ChinaTBEA Deyang Cable Co. Ltd, Deyang, 618000, Sichuan, People’s Republic of ChinaInstitute of Atomic and Molecular Physics, Sichuan University , Chengdu 610065, Sichuan, People’s Republic of ChinaGraphene has an important positive impact on improving polymer material properties, making the application of composite materials widely available. This paper investigates the influence of graphene on the thermal and mechanical properties of Ethylene-vinyl acetate (EVA) by the molecular dynamics (MD) simulations. The thermostability and mechanical properties of the graphene/EVA nanocomposites are analyzed in terms of the glass transition temperature ( T _g ), mean-square displacement (MSD), modulus, interfacial binding energy (IBE), stress-strain relationship, yield strength, and tensile strength. The influences of the size of graphene on the thermal stability and mechanical properties of EVA are analyzed and discussed. The simulation result indicated that the glass transition temperature, modulus, yield strength, and ultimate strength of the nanocomposites are higher than that of pristine EVA, which is in good consistent with recent experiments. We attribute this finding to the fact that the strong interfacial bonding of graphene to EVA limits the fluidity of the EVA chains and improves the thermal stability and strength of the graphene/EVA composites. The incorporation of graphene enhanced the thermal stability and mechanical properties of EVA.https://doi.org/10.1088/2053-1591/ab79cdgraphene/ethylene-vinyl acetate nanocompositesthermal stabilitymechanical propertiesmolecular dynamics |
| spellingShingle | Jingli Shi Junsheng Yang Jingjing Zhou Hongfei Ji Xin Tang Tao Gao Effect of graphene on thermal stability and mechanical properties of ethylene-vinyl acetate: a molecular dynamics simulation Materials Research Express graphene/ethylene-vinyl acetate nanocomposites thermal stability mechanical properties molecular dynamics |
| title | Effect of graphene on thermal stability and mechanical properties of ethylene-vinyl acetate: a molecular dynamics simulation |
| title_full | Effect of graphene on thermal stability and mechanical properties of ethylene-vinyl acetate: a molecular dynamics simulation |
| title_fullStr | Effect of graphene on thermal stability and mechanical properties of ethylene-vinyl acetate: a molecular dynamics simulation |
| title_full_unstemmed | Effect of graphene on thermal stability and mechanical properties of ethylene-vinyl acetate: a molecular dynamics simulation |
| title_short | Effect of graphene on thermal stability and mechanical properties of ethylene-vinyl acetate: a molecular dynamics simulation |
| title_sort | effect of graphene on thermal stability and mechanical properties of ethylene vinyl acetate a molecular dynamics simulation |
| topic | graphene/ethylene-vinyl acetate nanocomposites thermal stability mechanical properties molecular dynamics |
| url | https://doi.org/10.1088/2053-1591/ab79cd |
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