Orientation dependence of the solid–liquid interface stress: atomistic calculations for copper

Abstract

We present an atomistic study of the solid–liquid interface stress in copper for four different interface orientations: (1 0 0), (1 1 0), (1 1 1) and (3 1 0). For the (1 1 0) and (3 1 0) orientations, the interface stress is found to be anisotropic, while for the (1 0 0) and (1 1 1) orientations it is isotropic by crystal symmetry. The magnitude and sign of the interface stress depend on the interface orientation. Examination of stress profiles across the interfaces reveals competition between the compression of a narrow solid layer and tension of the adjacent liquid layer within the interface region. The sign of the interface stress is dictated by balance between these tensile and compressive contributions.