Fatigue damage in nickel and copper single crystals at nanoscale

Abstract Nanoscale fatigue damage simulations using molecular dynamics were performed in nickel and copper single crystals. Cyclic stress–strain curves and fatigue crack growth were investigated using a middle-tension (MT) specimen with the lateral sides allowing periodic boundary conditions to simulate a small region of material as a part of a larger component. The specimen dimensions were in the range of nanometers, and the fatigue loading was strain controlled under constant and variable amplitude. Four crystal orientations, [111], [100], [110] and [101] were analyzed, and the results indicated that the plastic deformation and fatigue crack growth rates vary widely from one orientation to another. Under increasing strain amplitude loading, nickel nanocrystals experienced a large amount of plastic deformation causing at least in one orientation, [101], out-of-plane crack deviation in a mixed mode I+ II growth. Under constant amplitude loading, the fatigue cracks were a planar mode I type. Double slip is observed for some orientations, while for others, many more slip systems were activated causing a more evenly distributed plastic region around the crack tip. A comparative analysis revealed that small cracks grow more rapidly in copper than in nickel single crystals.