title: Determination of the of rate cross slip of screw dislocations
abstract: The rate for cross slip of screw dislocations during annihilation of screw dipoles in copper is determined by molecular dynamics simulations. The temperature dependence of the rate is seen to obey an Arrhenius behavior in the investigated temperature range: 225-375 K. The activation energy and the effective attempt frequency can therefore be extracted from the simulations. The transition state energy for the annihilation process is calculated by identifying the transition state using the nudged elastic band path technique. The two activation energies agree very well, indicating that transition state theory is applicable for this type of process.
authors.affiliation: Center for Atomic-scale Materials Physics (CAMP) and Department of Physics, Building 307, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark and Materials Research Department, Riso National Laboratory, DK-4000 Roskilde, Denmark.
authors.initials: T
authors.lastname: Vegge
authors.initials: T
authors.lastname: Rasmussen
authors.initials: T
authors.lastname: Leffers
authors.initials: OB
authors.lastname: Pedersen
authors.initials: KW
authors.lastname: Jacobsen