Assessment of the Atomic Mobilities in fcc Cu-Fe and Cu-Ti Alloys

Abstract

The experimentally measured diffusion coefficients of fcc Cu-Fe and Cu-Ti alloys in the published literature were reviewed critically in the present work. On the basis of the available thermodynamic information, the atomic mobilities of Cu, Fe, and Ti in fcc Cu-Fe and Cu-Ti alloys as a function of temperature and composition were assessed in terms of the CALPHAD method using the DICTRA Ò software. The optimized mobility parameters are presented. The calculated diffusion coefficients show an excellent agreement with the experimental data. The composition-distance profiles of the Cu-Ti binary diffusion couples reported in the literature were also predicted using the assessed mobility parameters. Overall good agreement is achieved between the experimental results and simulations.

Research on the Diffusion Behavior of Cu in Low-Carbon Steel under High Temperatures

“…Molecular dynamics analysis technology is widely used in the field of computational materials science, and it should be relatively sufficient in characterizing the atomic-scale structure and atomic diffusion behavior of materials [25,26]. Ouyang Yifang et al used molecular dynamics model to analyze the atomic structure of an Fe/Al system and the interdiffusion behavior of Al and Fe, their results indicated that molecular dynamics model could also be used to analyze Cu/Fe system [27,28].…”