Atomistic simulations of alloys at the empirical level face the challenge of correctly modeling basic thermodynamic properties. In this Letter we propose a methodology to generalize many-body classic potentials to incorporate complex formation energy curves. Application to Fe-Cr allows us to correctly predict the order vs segregation tendency in this alloy, as observed experimentally and calculated with ab initio techniques, providing in this way a potential suitable for radiation damage studies.

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Two experiments that probe the nature of the rapid transition from elastic to plastic deformation are described. The load, and therefore stress, at which this yield point occurs is shown to be relatively independent of temperature in an iron alloy. When stresses lower than those required to generate a yield point during loading are applied for times between seconds and minutes, yielding occurs while the sample is under an applied stress. The time to generate a yield point increases as the applied stress is decreased. The possibilities of dislocation glide loop nucleation, double kink nucleation, and dislocation breakaway from pinning points are examined. Only glide loop nucleation appears to match the experimental observations. Criteria based on the stress-volume requirements of glide loop nucleation and the stress field underneath an indenter are presented which qualitatively describe the experimental data.