A Molecular Dynamics Model for Single Adhesive Contact

The normal adhesive contact between a pair of asperities is performed using molecular dynamics. To simplify the problem, the equivalent contact problem of sphere–plane interaction is solved. Displacements in the contact zone are very small compared to the asperity size, therefore, the computational model is focused on the neighborhood of the contact area. The adhesion between the asperity and the plane is calculated as a sum of interactions between atoms of the asperity and the plane. A computational experiment of pull-on and pull-off is carried out to study the influence of the adhesion on the formation of the contact forces and deformations. The numerical results are compared with theoretical predictions.