An atomistic simulation of tension-compression asymmetry response of pyramidal dislocations in deformed hcp zirconium

LAMMPS dump file (Zr_pyramidal_dislocation.dump): a pyramidal dislocation is positioned in the x-y plane (pyramidal I), and x direction is <11-23>. MATLAB files: Zr_pyramidal_dislocation_Burgers_vector_total.fig, Zr_pyramidal_dislocation_Burgers_vector_big_partial.fig and Zr_pyramidal_dislocation_Burgers_vector_small_partial.fig shows Burgers circuit construction to determine the Burgers vector of the dislocation and the partial dislocation. MATLAB file (GSFE_pyramidal_plane.fig): the calculation of generalized stacking fault energies of the pyramidal I plane.