Atomistic simulation of the motion of dislocations in metals under phonon drag conditions

Abstract

The mobility of dislocations in the over-barrier motion in different metals (Al, Cu, Fe, Mo) has been investigated using the molecular dynamics method. The phonon drag coefficients have been calculated as a function of the pressure and temperature. The results obtained are in good agreement with the experimental data and theoretical estimates. For face-centered cubic metals, the main mechanism of dislocation drag is the phonon scattering. For body-centered cubic metals, the contribution of the radiation friction becomes significant at room temperature. It has been found that there is a correlation between the temperature dependences of the phonon drag coefficient and the lattice constant. The dependences of the phonon drag coefficient on the pressure have been calculated. In contrast to the other metals, iron is characterized by a sharp increase in the phonon drag coefficient with an increase in the pressure at low temperatures due to the α-∈ phase transition.