Role of Interfaces in Elasticity and Failure of Clay–Organic Nanocomposites: Toughening upon Interface Weakening?
Synthetic organic-inorganic composites constitute a new class of engineering materials finding applications in an increasing range of fields. The interface between the constituting phases plays a pivotal role in the enhancement of mechanical properties. In exfoliated clay-organic nanocomposites, ind...
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American Chemical Society (ACS)
2018
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| Online pristup: | http://hdl.handle.net/1721.1/117482 https://orcid.org/0000-0001-5559-4190 https://orcid.org/0000-0002-7089-8069 |
| _version_ | 1826198811181056000 |
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| author | Brochard, Laurent Hantal, Gyorgy Miklos Pellenq, Roland Jm Ulm, Franz-Josef Coasne, Benoit Alain |
| author2 | Massachusetts Institute of Technology. Department of Civil and Environmental Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Civil and Environmental Engineering Brochard, Laurent Hantal, Gyorgy Miklos Pellenq, Roland Jm Ulm, Franz-Josef Coasne, Benoit Alain |
| author_sort | Brochard, Laurent |
| collection | MIT |
| description | Synthetic organic-inorganic composites constitute a new class of engineering materials finding applications in an increasing range of fields. The interface between the constituting phases plays a pivotal role in the enhancement of mechanical properties. In exfoliated clay-organic nanocomposites, individual, high aspect ratio clay sheets are dispersed in the organic matrix providing large interfaces and hence efficient stress transfer. In this study, we aim at elucidating molecular-scale reinforcing mechanisms in a series of model clay-organic composite systems by means of reactive molecular simulations. In our models, two possible locations of failure initiation are present: one is the interlayer space of the clay platelet, and the other one is the clay-organic interface. We systematically modify the cohesiveness of the interface and assess how the failure mechanism changes when the different model composites are subjected to a tensile test. Besides a change in the failure mechanism, an increase in the released energy at the interface (meaning an increased overall toughness) are observed upon weakening the interface by bond removal. We propose a theoretical analysis of these results by considering a cohesive law that captures the effect of the interface on the composite mechanics. We suggest an atomistic interpretation of this cohesive law, in particular, how it relates to the degree of bonding at the interface. In a broader perspective, this work sheds light on the importance of the orthogonal behavior of interfaces to nanocomposites. |
| first_indexed | 2024-09-23T11:10:22Z |
| format | Article |
| id | mit-1721.1/117482 |
| institution | Massachusetts Institute of Technology |
| last_indexed | 2024-09-23T11:10:22Z |
| publishDate | 2018 |
| publisher | American Chemical Society (ACS) |
| record_format | dspace |
| spelling | mit-1721.1/1174822022-10-01T01:48:04Z Role of Interfaces in Elasticity and Failure of Clay–Organic Nanocomposites: Toughening upon Interface Weakening? Brochard, Laurent Hantal, Gyorgy Miklos Pellenq, Roland Jm Ulm, Franz-Josef Coasne, Benoit Alain Massachusetts Institute of Technology. Department of Civil and Environmental Engineering Hantal, Gyorgy Miklos Pellenq, Roland Jm Ulm, Franz-Josef Coasne, Benoit Alain Synthetic organic-inorganic composites constitute a new class of engineering materials finding applications in an increasing range of fields. The interface between the constituting phases plays a pivotal role in the enhancement of mechanical properties. In exfoliated clay-organic nanocomposites, individual, high aspect ratio clay sheets are dispersed in the organic matrix providing large interfaces and hence efficient stress transfer. In this study, we aim at elucidating molecular-scale reinforcing mechanisms in a series of model clay-organic composite systems by means of reactive molecular simulations. In our models, two possible locations of failure initiation are present: one is the interlayer space of the clay platelet, and the other one is the clay-organic interface. We systematically modify the cohesiveness of the interface and assess how the failure mechanism changes when the different model composites are subjected to a tensile test. Besides a change in the failure mechanism, an increase in the released energy at the interface (meaning an increased overall toughness) are observed upon weakening the interface by bond removal. We propose a theoretical analysis of these results by considering a cohesive law that captures the effect of the interface on the composite mechanics. We suggest an atomistic interpretation of this cohesive law, in particular, how it relates to the degree of bonding at the interface. In a broader perspective, this work sheds light on the importance of the orthogonal behavior of interfaces to nanocomposites. MIT Energy Initiative Schlumberger Limited Shell Oil Company French Research National Agency (ANR-11-LABX-0053) French Research National Agency (ANR-11-IDEX-0001-02) 2018-08-22T18:25:51Z 2018-08-22T18:25:51Z 2017-07 2017-03 2018-08-21T15:10:07Z Article http://purl.org/eprint/type/JournalArticle 0743-7463 1520-5827 http://hdl.handle.net/1721.1/117482 Hantal, György, et al. “Role of Interfaces in Elasticity and Failure of Clay–Organic Nanocomposites: Toughening upon Interface Weakening?” Langmuir, vol. 33, no. 42, Oct. 2017, pp. 11457–66. © 2017 American Chemical Society. https://orcid.org/0000-0001-5559-4190 https://orcid.org/0000-0002-7089-8069 http://dx.doi.org/10.1021/ACS.LANGMUIR.7B01071 Langmuir Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. application/pdf American Chemical Society (ACS) Other repository |
| spellingShingle | Brochard, Laurent Hantal, Gyorgy Miklos Pellenq, Roland Jm Ulm, Franz-Josef Coasne, Benoit Alain Role of Interfaces in Elasticity and Failure of Clay–Organic Nanocomposites: Toughening upon Interface Weakening? |
| title | Role of Interfaces in Elasticity and Failure of Clay–Organic Nanocomposites: Toughening upon Interface Weakening? |
| title_full | Role of Interfaces in Elasticity and Failure of Clay–Organic Nanocomposites: Toughening upon Interface Weakening? |
| title_fullStr | Role of Interfaces in Elasticity and Failure of Clay–Organic Nanocomposites: Toughening upon Interface Weakening? |
| title_full_unstemmed | Role of Interfaces in Elasticity and Failure of Clay–Organic Nanocomposites: Toughening upon Interface Weakening? |
| title_short | Role of Interfaces in Elasticity and Failure of Clay–Organic Nanocomposites: Toughening upon Interface Weakening? |
| title_sort | role of interfaces in elasticity and failure of clay organic nanocomposites toughening upon interface weakening |
| url | http://hdl.handle.net/1721.1/117482 https://orcid.org/0000-0001-5559-4190 https://orcid.org/0000-0002-7089-8069 |
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