2C. Particle type modifiers

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--(***) All the commands listed here are not considered if system exportation from a previous simulation is done

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Once we have our system defined with the desired shape and topography, we can change locally the constituent atoms or particles. Very similar commands to the shown ones in the previous section do the job. When applying, a region of the system sees its type changed into the desired final atom type:

CHANGE_AB_PLANE_TYPE                            (int)pos_cell_a   (int)pos_cell_b   (int)pos_cell_c   (int)length_a   (int)length_b    (text)final_atom_type
CHANGE_AC_PLANE_TYPE                            (int)pos_cell_a   (int)pos_cell_b   (int)pos_cell_c   (int)length_a   (int)length_c    (text)final_atom_type
CHANGE_BC_PLANE_TYPE                            (int)pos_cell_a   (int)pos_cell_b   (int)pos_cell_c   (int)length_b   (int)length_c    (text)final_atom_type

CHANGE_CUBE_TYPE                               (double)x    (double)y    (double)z    (double)side  (text)final_atom_type

CHANGE_XY_DISLOCATION_TYPE                     (double)x    (double)y   (double)radius  (text)final_atom_type  
                                                (optional line) FROM_Z_TO_Z          (double)bot_z       (double)top_z
                                                (optional line) ANGLE_XZ_ANGLE_YZ    (double)angle_xz    (double)angle_yz

CHANGE_XZ_DISLOCATION_TYPE                     (double)x    (double)z   (double)radius   (text)final_atom_type   
                                                (optional line) FROM_Y_TO_Y          (double)bot_y       (double)top_y
                                                (optional line) ANGLE_XY_ANGLE_ZY    (double)angle_xz    (double)angle_yz

CHANGE_YZ_DISLOCATION_TYPE                     (double)y    (double)z   (double)radius   (text)final_atom_type   
                                               (optional line) FROM_X_TO_X          (double)bot_x       (double)top_x
                                               (optional line) ANGLE_YX_ANGLE_ZX    (double)angle_yx    (double)angle_zx

CHANGE_PLANE_TYPE                              (double)A    (double)B    (double)C    (double)D   (double)distance   (text)final_atom_type
CHANGE_SPHERE_TYPE                             (double)x    (double)y    (double)z    (double)radius  (text)final_atom_type
CHANGE_ELLIPSOID_TYPE                          (double)x    (double)y    (double)z    (double)radiusx     (double)radiusy    (double)radiusz    (text)final_atom_type
CHANGE_GENERAL_ELLIPSOID_TYPE                  (double)A    (double)B    (double)C    (double)D    (double)E   (double)F   (double)G   (double)H   (double)J   (double)K    (text)final_atom_type

Note that:

• The parameters of this last command CHANGE_GENERAL_ELLIPSOID_TYPE indicate the coeficients of the ellipsoid general equation Ax²+By²+Cz²+Dxy+Exz+Fyz+Gx+Hy+Jz+K<1.

• The parameters of the CHANGE_PLANE_TYPE command indicate the coeficients of the plane general equation Ax+By+Cz+D=0.

• The pos_cell goes from 0 to DIMENSION_A-1, DIMENSION_B-1 and DIMENSION_C-1 respectively (see 2A. Simulation box section).

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Selective particle type modifiers

All the previous commands can be used selectively targeting atoms or particles of certain type. They are identical to the previous ones, but they have the TO_TYPE surname and an additional input parameter with the target type:

CHANGE_AB_PLANE_TYPE_TO_TYPE                   (text)atom_type  (int)pos_cell_a   (int)pos_cell_b   (int)pos_cell_c   (int)length_a   (int)length_b    (text)final_atom_type
CHANGE_AC_PLANE_TYPE_TO_TYPE                   (text)atom_type  (int)pos_cell_a   (int)pos_cell_b   (int)pos_cell_c   (int)length_b   (int)length_c    (text)final_atom_type
CHANGE_BC_PLANE_TYPE_TO_TYPE                   (text)atom_type  (int)pos_cell_a   (int)pos_cell_b   (int)pos_cell_c   (int)length_a   (int)length_c    (text)final_atom_type

CHANGE_CUBE_TYPE_TO_TYPE                       (text)atom_type  (double)x    (double)y    (double)z    (double)side  (text)final_atom_type

CHANGE_XY_DISLOCATION_TYPE_TO_TYPE             (text)atom_type  (double)x    (double)y   (double)radius  (text)final_atom_type  
                                                (optional line) FROM_Z_TO_Z          (double)bot_z       (double)top_z
                                                (optional line) ANGLE_XZ_ANGLE_YZ    (double)angle_xz    (double)angle_yz

CHANGE_XZ_DISLOCATION_TYPE_TO_TYPE             (text)atom_type  (double)x    (double)z   (double)radius   (text)final_atom_type   
                                                (optional line) FROM_Y_TO_Y          (double)bot_y       (double)top_y
                                                (optional line) ANGLE_XY_ANGLE_ZY    (double)angle_xz    (double)angle_yz

CHANGE_YZ_DISLOCATION_TYPE_TO_TYPE             (text)atom_type  (double)y    (double)z   (double)radius   (text)final_atom_type   
                                               (optional line) FROM_X_TO_X          (double)bot_x       (double)top_x
                                               (optional line) ANGLE_YX_ANGLE_ZX    (double)angle_yx    (double)angle_zx

CHANGE_PLANE_TYPE_TO_TYPE                      (text)atom_type  (double)A    (double)B    (double)C    (double)D   (double)distance   (text)final_atom_type
CHANGE_SPHERE_TYPE_TO_TYPE                     (text)atom_type  (double)x    (double)y    (double)z    (double)radius  (text)final_atom_type
CHANGE_ELLIPSOID_TYPE_TO_TYPE                  (text)atom_type  (double)x    (double)y    (double)z    (double)radiusx     (double)radiusy    (double)radiusz    (text)final_atom_type
CHANGE_GENERAL_ELLIPSOID_TYPE_TO_TYPE          (text)atom_type  (double)A    (double)B    (double)C    (double)D    (double)E   (double)F   (double)G   (double)H   (double)J   (double)K    (text)final_atom_type

At this point we have our system perfectly defined. In the next step we are going to define the dissolution events that may happen in the system.