| The mobility of atomic pairs in Cu grain boundary was investigated by molecular dynamic simulations. The energy of interaction between the atoms inside the pairs (dipole energy) was introduced as well as the segregation energy. The complexes formation leads to decrease of mean-square atomic displacements. The diffusion coefficients decrease with increasing the dipole interaction energy and segregation energy. The dipole energy influences more strongly, than segregation energy. |
full paper (pdf, 256 Kb)