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.LAMMPS 轨迹文件（Zr_pyramidal_dislocation.dump）：该文件内的锥面位错位于x-y平面内（锥面I型），且x方向对应晶向为<11-23>。 MATLAB 绘图文件：Zr_pyramidal_dislocation_Burgers_vector_total.fig、Zr_pyramidal_dislocation_Burgers_vector_big_partial.fig 与 Zr_pyramidal_dislocation_Burgers_vector_small_partial.fig 用于展示位错及不全位错的柏氏回路构建过程，以确定其柏氏矢量（Burgers vector）。 MATLAB 绘图文件（GSFE_pyramidal_plane.fig）：用于计算锥面I型平面的广义层错能（generalized stacking fault energy, GSFE）。