Stacking-fault energy of copper from molecular-dynamics simulations

The behavior of the energy of stacking fault defects in copper as a functio n of external strain and temperature is investigated making use of molecula r-dynamics simulations. Atomic interactions are modeled by an effective-med ium theory potential. Intrinsic, extrinsic, and-twinning faults are conside red. Our results suggest that the stability of stacking-fault defects in co pper increases with temperature and decreases with applied compressive stra in. In addition, we point out some difficulties posed by the application of finite range model potentials to the study of low-energy defects. To show that-these difficulties are quite general in nature we also compute the sta cking-fault energy (SFE) from an embedded atom model potential. Our results indicate that the SFE computed from model potentials displays a spurious c hange of sign with increasing compressive strain. [S0163-1829(99)02245-6].