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Molecular Dynamics Simulation On Generalized Stacking Fault Energies Of Fcc Metals Under Preloading Stress, Liang Zhang, Cheng Lu, A Kiet Tieu, Xing Zhao, Linqing Pei, Guillaume Michal

Faculty of Engineering and Information Sciences - Papers: Part A

Molecular dynamics (MD) simulations are performed to investigate the effects of stress on generalized stacking fault (GSF) energy of three fcc metals (Cu, Al, and Ni). The simulation model is deformed by uniaxial tension or compression in each of [111], [11-2], and [1-10] directions, respectively, before shifting the lattice to calculate the GSF curve. Simulation results show that the values of unstable stacking fault energy (γusf), stable stacking fault energy (γsf), and unstable twin fault energy (γutf) of the three elements can change with the preloaded tensile or compressive stress in different directions. The ratio of γsf/γusf, which is related …