TY - JOUR
T1 - Investigation of the adhesion and debonding behaviors of rubber asphalt and aggregates using molecular dynamics simulation
AU - Guo, Fucheng
AU - Pei, Jianzhong
AU - Huang, Guojing
AU - Zhang, Jiupeng
AU - Cannone Falchetto, Augusto
AU - Korkiala-Tanttu, Leena
N1 - Funding Information:
This work was supported by the National Key R&D Program of China (grant number 2018YFE0103800); the National Natural Science Foundation of China (grant number 52178408); and the Fundamental Research Funds for the Central Universities, CHD (grant number 300102211702). The authors gratefully acknowledge their financial support. The first author would also like to acknowledge the China Scholarship Council (CSC) for supporting his visit to Aalto University, Finland (No. 202006560045) and Aalto University for hosting.
Publisher Copyright:
© 2023 Elsevier Ltd
PY - 2023/3/31
Y1 - 2023/3/31
N2 - This paper investigates the interface property between rubber asphalt and aggregates using molecular dynamics simulations to address the adhesion and debonding properties. The effect of aggregate types and rubber contents on rubber asphalt-aggregate systems' adhesion and debonding properties were investigated. The work of adhesion characterized the adhesion property while debonding characteristics were evaluated by the work of debonding and energy ratio (ER). The results show that the impact of aggregate types on the adhesion and debonding between rubber asphalt and aggregates is much more significant than rubber contents. The work of adhesion between four aggregates and rubber asphalt is evaluated as follows: microcline > albite > quartz > calcite. The reason is that the electrostatic energy can considerably contribute to the adhesion at the interface for strong alkali aggregates (microcline, albite) and rubber asphalt, while the van der Waals energy can only contribute nearly 100 mJ/m2 energy for the adhesion. The work of debonding for the four aggregates with rubber asphalt follows the order: microcline > quartz > albite > calcite. Therefore, microcline presents extraordinary performance, while calcite shows the poorest response in moisture resistance.
AB - This paper investigates the interface property between rubber asphalt and aggregates using molecular dynamics simulations to address the adhesion and debonding properties. The effect of aggregate types and rubber contents on rubber asphalt-aggregate systems' adhesion and debonding properties were investigated. The work of adhesion characterized the adhesion property while debonding characteristics were evaluated by the work of debonding and energy ratio (ER). The results show that the impact of aggregate types on the adhesion and debonding between rubber asphalt and aggregates is much more significant than rubber contents. The work of adhesion between four aggregates and rubber asphalt is evaluated as follows: microcline > albite > quartz > calcite. The reason is that the electrostatic energy can considerably contribute to the adhesion at the interface for strong alkali aggregates (microcline, albite) and rubber asphalt, while the van der Waals energy can only contribute nearly 100 mJ/m2 energy for the adhesion. The work of debonding for the four aggregates with rubber asphalt follows the order: microcline > quartz > albite > calcite. Therefore, microcline presents extraordinary performance, while calcite shows the poorest response in moisture resistance.
KW - Adhesion property
KW - Molecular dynamics simulation
KW - Rubber asphalt
KW - Work of adhesion
KW - Work of debonding
UR - http://www.scopus.com/inward/record.url?scp=85148949371&partnerID=8YFLogxK
U2 - 10.1016/j.conbuildmat.2023.130781
DO - 10.1016/j.conbuildmat.2023.130781
M3 - Article
AN - SCOPUS:85148949371
SN - 0950-0618
VL - 371
JO - Construction and Building Materials
JF - Construction and Building Materials
M1 - 130781
ER -