R-curve Evaluation of Copper and Nickel Single Crystals Using Atomistic Simulations

Abstract

The technique of molecular statics (MS) simulation was employed to determine the crack growth resistance curve of Cu and Ni single crystals. Copper and Ni single crystal nanoplates with an edge crack subjected to a tensile displacement were simulated. Stress-displacement curves and snapshots of the atomic configuration corresponding to different displacement levels were presented to elucidate the deformation mechanism. It was observed that the edge crack propagated step by step in a brittle manner, and the amount of crack growth at each step was half the lattice parameter. Through an energy consideration, the critical strain energy release rate at the onset of crack propagation and the crack growth resistance were calculated. The crack growth resistance is larger than the critical strain energy release rate because of the crack growth effect.