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Original Articles

Nanoscale modelling of mechanical properties of asphalt–aggregate interface under tensile loading

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Pages 393-401 | Received 31 Jan 2010, Accepted 20 Apr 2010, Published online: 25 May 2010
 

Abstract

This paper presents an investigation on the elastic constants of a quartz structure, tensile stress–strain state and adhesion failure behaviour of asphalt–rock interfaces by using an atomistic modelling method. A molecular mechanics method is applied to calculate the quartz bulk elastic constants, e.g. stiffness matrix, shear modulus, Young's modulus and Poisson's ratio. Molecular dynamics (MD) simulations are employed to model the deformation and failure behaviour of asphalt–rock interfaces when subject to uniaxial tension. A 3D asphalt–quartz interface structure model is proposed in terms of density, position and thickness. The interfacial atom trajectories are visualised to represent the properties in simulations that characterise those of the asphalt–rock interface under uniaxial tension at nanoscale. Interfacial debonding characteristics or the adhesive failure are implemented with a large-scale MD simulation technology. The stress–strain relation of the interface layer under tensile loading is analysed in this study. It is found that highly anisotropic elastic properties of a quartz structure will appear from atomistic scale and tensile strength of the asphalt–quartz interface system is controlled by the stress state at the asphalt–rock interface layer. Asphalt–rock interface adhesive failure appears to be ductile at freezing environmental temperature and low strain rate.

Acknowledgements

The support to this work by the National Science Foundation under Award #0625927 is gratefully acknowledged. The opinions presented reflected those of the authors only.

Notes

Additional information

Notes on contributors

Yang Lu

1. 1. [email protected]

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