Molecular Dynamic Simulation and Experiment Validation on the Diffusion Behavior of Diffusion Welded Fe-Ti by Hot Isostatic Pressing Process

A reliable bonding interface between steel and Ti alloy is required for producing a steel/Ti bimetal composite. In this study, molecular dynamic simulations diffusion welding experiments using the hot isostatic pressing process were conducted to study atomic at Fe-Ti interface. The simulation results indicate that layer thickness thinner in single crystals compared polycrystals same temperature. This difference may be explained by having grain boundaries, which increase disorder facilitate diffusion. radial distribution function (RDF) curves Fe-Fe Ti-Ti exhibit similar pattern over time, with main peak indicating highest atom density within specific radius range relatively strong binding central atoms their nearest neighbors. observed changes coefficient temperature align well experimental results. enhances understanding of mechanism provides valuable insights broader applications composites.