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A seamless 2D dual-scale computational scheme is developed to study contact problems. The model consists of an atomistic domain close to the contact, coupled with an elastic continuum domain away from the contact. The atomistic formulation provides a description of the contact interaction through interatomic potentials and permits to capture atomic wear and defect formation in the contact region. The fields in the continuum domain are calculated by an efficient FFT-based Green’s function method. The novel scheme is validated against full atomistic simulations and applied to study the effect of adhesion on the scratching of a rough copper surface by a rigid smooth spherical tip.

Journal Article: extension of the Green;s function molecular dynamics methodology to two dimensional compressible bodies of finite height: the displacements are extended from being one-dimensional to two-dimensional. The extansion allows one to model the elastic deformation of 2dimesnsional metal bodies.