Combined modeling and experimental characterization of Mn segregation and spinodal decomposition along dislocation lines in Fe–Mn alloys

In the current work, Mn enrichment at dislocations in Fe–Mn alloys due to segregation and spinodal decomposition along dislocation line is studied via modeling experimental characterization. To model these phenomena, both finite-deformation microscopic phase-field chemomechanics (MPFCM) Monte Carlo molecular dynamics (MCMD) are employed. MPFCM calibration carried out with same MEAM-based potential used MCMD, as well CALPHAD data. Simulation results for to, along, straight screw edge loops, compared characterization from atom probe tomography (APT) two alloy compositions. contrast classical Volterra (linear elastic) theory, MCMD predict a non-zero hydrostatic stress field cores. Being of much smaller magnitude than cores, less solute segregates addition, segregated amount cores below critical concentration 0.157 onset line. On other hand, MPFCM-based imply that dependence misfit distortion resulting elastic energy density on have strongest effect. The maximum segregating predicted by agrees APT results. predicts little or no variation line, As shown example loop change changing character does lead corresponding concentration. Such can also then be expected kinks jogs.