Influence of model asymmetry on kinetic pathways in binary Fe-Cu alloy: a kinetic Monte Carlo study

TL;DR

This study uses kinetic Monte Carlo simulations to explore how model asymmetry affects the kinetic pathways in binary Fe-Cu alloys, highlighting the importance of model parameters on microstructure evolution.

Contribution

It introduces a thermodynamics-based method to calculate interatomic potentials considering model asymmetry in Fe-Cu alloys.

Findings

Kinetic pathways are sensitive to model asymmetry.

Simulation results align with classical growth and coarsening theories.

Experimental diffusion data helps validate simulation parameters.

Abstract

A kinetic Monte Carlo simulations with model asymmetry in binary Fe-Cu alloy leading to the same microstructure are presented. A method based on thermodynamic data for calculation of interatomic potentials dependent on model asymmetry is presented and evaluated. Results show that kinetic pathways are sensitive to model asymmetry and are compared to the classical growth and coarsening theories. Experimental diffusion data is used and compared to simulation results to determine a realistic combination for simulations.