Simulation study on the nano-crystalline Cu-Ag alloys with gradient segregation

F Zhang and K Liu and QY Tang and G Li and DS Zhu, MATERIALS LETTERS, 330, 133395 (2023).

DOI: 10.1016/j.matlet.2022.133395

Via equidistance scaling method, several parts of the segregated domains from granular interior to grain boundary are identified. Based on this method, the model of nano-crystalline (NC) Cu-Ag alloy with gradient segregation is constructed. The issue how the solute concentration (SC) distribution is more conducive to the strength enhancement is explored by molecular dynamic (MD) simulation. The simulation results reveal that sample with higher intra-granular SC possess more dislocation activities, thinner amorphous inter-granular films (AIFs), more homogeneous deformation and higher flow stress at plastic stage. The results turn the opposite way in sample with higher SC nearby grain boundary. Meanwhile, the observed phase transition is analyzed during the deformation progress.

Return to Publications page