Sets of atomic configurations created in the process of constructing mixed-type dislocations in FCC Al

FCC_Al_mixed_1x256x128.tgz and FCC_Al_mixed_15x32x16.tgz are the archives with atomic positions. The atomic positions are created during the atomic positions relaxation in the process of mixed-type dislocations construction in FCC Al. 1x256x128 and 15x32x16 refer to the corresponding size of the simulations volume. The *.dat files are the initial configurations created by removing atomic planes, these files are submitted to the LAMMPS software. dump* files are the intermediate results saved by LAMMPS.

en.avi and disl.avi are the animations depicting the process of the mixed dislocations creation by the relaxation of the initial configuration with the subsequent dislocation dynamics under applied uniaxial tensile stress and temperature. The animations are created using OVITO software. in en.avi the atoms are colored according to their total energy, blue color corresponds to -3.36 eV, and red color - to -3.07 eV. disl.avi is obtained by applying the DXA dislocation analysis algorithm as implemented in OVITO. The blue lines represent the ideal dislocations, and the green lines are dislocations split according to the Shockley scheme.

FCC_Al_mixed_1x256x128.tgz 与 FCC_Al_mixed_15x32x16.tgz 为包含原子位置的存档文件。这些原子位置是在面心立方铝（FCC Al）中混合位错构建过程中，通过原子位置松弛步骤所生成。'1x256x128' 与 '15x32x16' 分别指代模拟体积的相应尺寸。*.dat 文件是通过移除原子面而创建的初始配置，这些文件随后提交至 LAMMPS 软件。dump* 文件是 LAMMPS 软件保存的中间结果。

en.avi 和 disl.avi 是动画文件，它们描绘了通过初始配置的松弛以及随后在单轴拉伸应力和温度作用下位错动力学，从而实现混合位错创建的过程。这些动画是使用 OVITO 软件创建的。在 en.avi 中，原子根据其总能量进行着色，蓝色代表 -3.36 eV，红色则代表 -3.07 eV。disl.avi 通过在 OVITO 中实现的 DXA 位错分析算法生成。蓝色线条代表理想的位错，而绿色线条则是根据 Shockley 方案进行分裂的位错。