Molecular Modeling and Mechanics of Acrylic Adhesives on a Graphene Substrate with Roughness
Understanding the mechanics of amorphous polymeric adhesives on a solid substrate at the fundamental scale level is critical for designing and optimizing the mechanics of composite materials. Using molecular dynamics simulations, we investigate the interfacial strength between graphene and polyacryl...
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| Format: | Article |
| Language: | English |
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Springer US
2017
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| Online Access: | http://hdl.handle.net/1721.1/107452 https://orcid.org/0000-0003-3761-253X https://orcid.org/0000-0002-4173-9659 |
| _version_ | 1826197654174957568 |
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| author | Qin, Zhao Jin, Kai Buehler, Markus J. Buehler, Markus J |
| author2 | Massachusetts Institute of Technology. Department of Civil and Environmental Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Civil and Environmental Engineering Qin, Zhao Jin, Kai Buehler, Markus J. Buehler, Markus J |
| author_sort | Qin, Zhao |
| collection | MIT |
| description | Understanding the mechanics of amorphous polymeric adhesives on a solid substrate at the fundamental scale level is critical for designing and optimizing the mechanics of composite materials. Using molecular dynamics simulations, we investigate the interfacial strength between graphene and polyacrylic and discuss how the surface roughness of graphene affects the interfacial strength in different loading directions. Our results show that a single angstrom increase in graphene roughness can lead to almost eight times higher shear strength, and that such result is insensitive to compression. We have also revealed that the graphene roughness has modest effect on tensile strength of the interface. Our simulations elucidate the molecular mechanism of these different effects in different loading conditions and provide insights for composite designs. |
| first_indexed | 2024-09-23T10:51:06Z |
| format | Article |
| id | mit-1721.1/107452 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T10:51:06Z |
| publishDate | 2017 |
| publisher | Springer US |
| record_format | dspace |
| spelling | mit-1721.1/1074522022-09-30T23:28:08Z Molecular Modeling and Mechanics of Acrylic Adhesives on a Graphene Substrate with Roughness Qin, Zhao Jin, Kai Buehler, Markus J. Buehler, Markus J Massachusetts Institute of Technology. Department of Civil and Environmental Engineering Massachusetts Institute of Technology. Laboratory for Atomistic and Molecular Mechanics Massachusetts Institute of Technology. School of Engineering Qin, Zhao Jin, Kai Buehler, Markus J Understanding the mechanics of amorphous polymeric adhesives on a solid substrate at the fundamental scale level is critical for designing and optimizing the mechanics of composite materials. Using molecular dynamics simulations, we investigate the interfacial strength between graphene and polyacrylic and discuss how the surface roughness of graphene affects the interfacial strength in different loading directions. Our results show that a single angstrom increase in graphene roughness can lead to almost eight times higher shear strength, and that such result is insensitive to compression. We have also revealed that the graphene roughness has modest effect on tensile strength of the interface. Our simulations elucidate the molecular mechanism of these different effects in different loading conditions and provide insights for composite designs. Henkel Corporation 2017-03-16T21:59:51Z 2017-04-11T21:29:34Z 2016-06 2017-02-02T15:22:48Z Article http://purl.org/eprint/type/JournalArticle 2191-1630 2191-1649 http://hdl.handle.net/1721.1/107452 Qin, Zhao, Kai Jin, and Markus J. Buehler. “Molecular Modeling and Mechanics of Acrylic Adhesives on a Graphene Substrate with Roughness.” BioNanoScience 6, no. 3 (June 9, 2016): 177–184. https://orcid.org/0000-0003-3761-253X https://orcid.org/0000-0002-4173-9659 en http://dx.doi.org/10.1007/s12668-016-0205-1 BioNanoScience Creative Commons Attribution-Noncommercial-Share Alike http://creativecommons.org/licenses/by-nc-sa/4.0/ Springer Science+Business Media New York application/pdf Springer US Springer US |
| spellingShingle | Qin, Zhao Jin, Kai Buehler, Markus J. Buehler, Markus J Molecular Modeling and Mechanics of Acrylic Adhesives on a Graphene Substrate with Roughness |
| title | Molecular Modeling and Mechanics of Acrylic Adhesives on a Graphene Substrate with Roughness |
| title_full | Molecular Modeling and Mechanics of Acrylic Adhesives on a Graphene Substrate with Roughness |
| title_fullStr | Molecular Modeling and Mechanics of Acrylic Adhesives on a Graphene Substrate with Roughness |
| title_full_unstemmed | Molecular Modeling and Mechanics of Acrylic Adhesives on a Graphene Substrate with Roughness |
| title_short | Molecular Modeling and Mechanics of Acrylic Adhesives on a Graphene Substrate with Roughness |
| title_sort | molecular modeling and mechanics of acrylic adhesives on a graphene substrate with roughness |
| url | http://hdl.handle.net/1721.1/107452 https://orcid.org/0000-0003-3761-253X https://orcid.org/0000-0002-4173-9659 |
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