The anisotropic character of Snoek relaxation in FeC system: A kinetic Monte Carlo and molecular dynamics simulation

Abstract

Kinetic Monte Carlo and molecular dynamics simulations, with interatomic interaction described by an embedded atom method, have been performed to study the Snoek relaxation behavior in FeC alloy. The reorientation of elastic dipole under uniaxial cycle stress is modeled with kinetic Monte Carlo and the corresponding anelastic stain resulted by the reorientation is calculated from molecular dynamics. Internal friction is obtained directly in terms of energy definition. The results indicate the calculated Snoek relaxation profiles are in good agreement with those of experiments and linear point defect theory with characteristic temperature corresponding to Snoek peak being 320 ± 5 K at the stress frequency of 1 Hz. The fitted shape factors of elastic dipole from the concentration‐dependent and orientation‐dependent Snoek profiles are consistent, with the value of about 0.72. This method can realize microstructural evolution and kinetic process, which is promising for investigating the Snoek relaxation in concentrated interstitial alloys and complex alloy system with substitutional elements.