Entropy of kink pair formation on screw dislocations: an accelerated molecular dynamics study

Abstract The Gibbs energy Δ G kp ( τ , T ) of kink pair formation on screw dislocations in bcc Nb has been determined as a function shear stress at different temperatures ⩽ 100 K using an accelerated molecular dynamics method and bond-boost potential. From ), the dependence entropy enthalpy could be obtained standard thermodynamic relations. increases with increasing stress, following phenomenologically predicted 1/2 dependence.