Equilibrium core structure and energy

Dislocations and Plasticity in bcc Transition Metals at High Pressure 

In addition to its atomic structure, it is also of interest to calculate the effective size and energy associated with the equilibrium core, as done previously for Ta at 

Basic fl/2 111 screw dislocation properties in bcc Ta, Mo, and V at their respective equilibrium atomic 

Note Included quantities are the atomic volume Qq, bcc lattice constant a, magnitude of the Burgers vector b, core polarization p, core radius R, core energy , elastic energy AeiasUc. kink-pair formation energy and Peierls stress rp. 

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