Generalized stacking fault energy of γ-Fe.

We investigate the generalized stacking fault energy (-surface) of paramagnetic-Fe as a function of temperature. At static condition, the face-centred cubic (fcc) lattice is thermodynamically unstable with respect to the hexagonal close-packed lattice, resulting in a negative intrinsic stacking fault energy (ISF). However, the unstable stacking fault energy (USF), representing the energy barrier along the-surface connecting the ideal fcc and the intrinsic stacking fault positions, is large and positive. The ISF is calculated to have a strong positive temperature coefficient, while the USF decreases monotonously with temperature. According to the recent plasticity theory, the overall effect of temperature is to move paramagnetic fcc Fe from the stacking fault formation regime ( K) towards maximum twinning ( K) and finally to a dominating full-slip regime ( K). Our predictions are discussed in connection with the available experimental observations. [ABSTRACT FROM PUBLISHER]