Investigation of the asphalt–aggregate interaction using molecular dynamics
Document Type
Article
Publication Date
3-19-2017
Abstract
© 2017 Taylor & Francis Group, LLC. The objective of this study is to explore the self-healing process or diffusion of the asphalt materials on aggregates through the experiments and molecular dynamics (MD) simulations. The asphalt mastic samples were prepared with binders and fine aggregates. The microscale dynamic X-ray computed tomography was conducted to capture the self-diffusion process of the binder in the asphalt mastic controlled at 353.15 K using Advanced Photon Source beamline 2-BM. The Mean Square Displacements were analyzed to describe the self-healing behaviors of binders by an MD method. The results of tests and MD simulations show that the molecules of the asphalt model on the nanoscale at high temperatures move faster those at low temperatures. The asphalt molecules move forward to aggregate layer and expand contact area to reduce the system energy.
Publication Title
Petroleum Science and Technology
Recommended Citation
Yao, H.,
Dai, Q.,
&
You, Z.
(2017).
Investigation of the asphalt–aggregate interaction using molecular dynamics.
Petroleum Science and Technology,
35(6), 586-593.
http://doi.org/10.1080/10916466.2016.1270303
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/9433