Atomic-Level Insights into the Mechanisms of Reinforcement and Fracture in a Graphene-Reinforced Bitumen Composite
Publication: Journal of Materials in Civil Engineering
Volume 35, Issue 9
Abstract
Graphene can significantly improve the mechanical performance and durability of a bitumen composite. However, the underlying reinforcement mechanism of this enhancement is not yet clear. Here, we use molecular dynamics (MD) simulation to study the mechanisms of tensile fracture and shear fracture in a graphene-reinforced bitumen composite. Two representative volume elements were developed from a single-crystal graphene-reinforced bitumen composite: graphene in the parallel plane and orthogonal plane. The MD results show that graphene in the orthogonal plane is better able to support and transmit shear loads, as evidenced by a 33% higher shear strength than graphene in the parallel plane. Under tensile loading, the failure type of the base bitumen and the graphene in the parallel plane is cohesive; for the graphene in the orthogonal plane, the failure type is adhesive. The shear failure for graphene in the parallel plane is an adhesive failure, which typically occurs at the graphene–bitumen interface. The shear failure for graphene in the orthogonal plane and for base bitumen is likely to be a cohesive failure. The results of the pull-off test validated the results of the simulation, which indicated that the interlayer sliding of graphene and the fracture of the bitumen matrix are the failure modes of a graphene-reinforced bitumen composite under tensile loading. This study provides atomic-level insight into the mechanical reinforcement mechanism of graphene-reinforced bitumen, and can contribute to the future application of advanced carbon nanomaterials in transportation infrastructure.
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Data Availability Statement
All data, models, and code generated or used during the study appear in the published article.
Acknowledgments
This work was supported by the National Key Research and Development Program of China (2019YFE0116300), National Natural Science Foundation of China (52250610218), and Opening Project Fund of Materials Service Safety Assessment Facilities (MSAF-2021-005). The authors are solely responsible for the content.
Author Contributions: Qilin Yang: Conceptualization, methodology, formal analysis, writing of original draft, and revised the manuscript. Zepeng Fan: Conceptualization, software, formal analysis, and writing of original draft. Pengfei Liu: Visualization, formal analysis. Dawei Wang: Project administration, funding acquisition, resources, supervision, validation, writing, review, and editing.
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Published In
Journal of Materials in Civil Engineering
Volume 35 • Issue 9 • September 2023
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© 2023 American Society of Civil Engineers.
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Received: Sep 14, 2022
Accepted: Feb 9, 2023
Published online: Jun 20, 2023
Published in print: Sep 1, 2023
Discussion open until: Nov 20, 2023
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