Modeling percentages of cohesive and adhesive debonding in bitumen-aggregate interfaces using molecular dynamics approaches


When an asphalt mixture cracks, adhesive debonding occurs along bitumen-mineral interfaces and cohesive debonding occurs within bitumen films. At microscale, the two debonding processes can happen simultaneously but it is unknown for their percentages. This study aims to determine the percentages for cohesive and adhesive debonding and investigate how the material and external factors can affect these percentages using molecular dynamics (MD) modeling. The pull-off simulations of bitumen-calcite interfaces were performed at different bitumen film thicknesses, pull-off velocities and temperatures. The percentages of cohesive debonding were calculated as the area ratio of the remained bitumen molecules over the total interface. Results show that the percentage of cohesive debonding increases from 29% to 65% with thicker bitumen films, and decreases from 86% to 59% with higher loading velocities. When temperature rises, the percentage of cohesive debonding increases from 61.3% to 88.2%. Quartz presents a weak adhesion to bitumen, and thus a complete (100%) adhesive debonding occurs regardless of bitumen thickness. Microcline shows a very strong adhesion to bitumen due to its high polarity. The modeled cohesive debonding percentage with different variables were verified and found consistent with the laboratory pull-off testing results available from the existing studies.

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Divisions: College of Engineering & Physical Sciences > School of Infrastructure and Sustainable Engineering > Engineering Systems and Supply Chain Management
College of Engineering & Physical Sciences
College of Engineering & Physical Sciences > Aston Institute of Urban Technology and the Environment (ASTUTE)
College of Engineering & Physical Sciences > Aston Institute of Materials Research (AIMR)
Additional Information: © 2021, Elsevier. Licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International Funding: This work was supported by Ministry of Science and Technology, P. R. China, via the National Key R&D Program of China (No. 2019YFE0117600) and Zhejiang Provincial Natural Science Foundation of China (No. LZ21E080002).
Uncontrolled Keywords: Adhesive debonding,Bitumen-aggregate interface,Cohesive debonding,Molecular dynamics,Pull-off simulation,Chemistry(all),Condensed Matter Physics,Physics and Astronomy(all),Surfaces and Interfaces,Surfaces, Coatings and Films
Publication ISSN: 0169-4332
Last Modified: 14 May 2024 07:53
Date Deposited: 21 Sep 2021 08:25
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Related URLs: https://linking ... 169433221023710 (Publisher URL)
http://www.scop ... tnerID=8YFLogxK (Scopus URL)
PURE Output Type: Article
Published Date: 2022-01
Published Online Date: 2021-09-17
Accepted Date: 2021-09-14
Authors: Chen, Pengxu
Luo, Xue
Gao, Yangming
Zhang, Yuqing (ORCID Profile 0000-0001-5825-0131)

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