COMPUTER-SIMULATION OF LOCAL LATTICE DISTORTION IN CU-AU SOLID-SOLUTION

The local lattice-distortion effects in Cu-25 at pet Au solid solution were investigated using a computer simulation in which the nearest-neighbor Lennard-Jones interactions with thermal vibration effects were assumed. The investigation revealed that the average displacements of Cu-Cu and Au-Au pairs in the nearest neighbor were negative and positive directions, respectively, with respect to the rigid lattice before the relaxation, and that the diffuse scattering intensity due to local lattice distortion and local atomic configuration can be calculated by taking the short-range configuration up to the 12th nearest-neighbor pairs into account, The results reproduced the overall tendency of the experimental observations.