ATOMIC CONFIGURATIONS AND DIFFUSION MECHANISMS NEAR THE ASYMMETRIC GRAIN BOUNDARIES IN TETRAGONAL CuAu I ALLOY WITH <100> AND <001> TILT AXES

摘要

The molecular dynamics method is used to investigate an atomic configuration in the structure of asymmetric tilted grain boundaries for the ordered CuAu I alloy with FCT symmetry and L10 structure. Investigations are performed for three misorientation angles: 7, 16, and 22° and grain boundaries with <100> and <001> tilt axes. The distinctive features of the structural grain boundary reorganization and diffusion mechanisms are elucidated at different temperatures.