Residual stress in Fe–Cu alloys at 0 and 600 K

The paper presents three-dimensional molecular dynamic simulations of damage and stress calculations on the atomistic level in bcc iron containing a coherent copper nano-precipitate with orientation {1 0 0}. The influence of temperature on residual stress and on damage in the Fe–Cu system is studied. At a temperature of 600 K, the level of residual stresses in the Fe–Cu system is substantially smaller than at 0 K. It influences the mechanical response of the loaded Fe–Cu crystal. As to the damage, the lowest (critical) loading is a combination of tension and compression, where the onset of phase transition to 9R structure in the Cu precipitate and incoherence at the Fe–Cu interfaces have been detected at 600 K and external load of 4 GPa.