Standalone Code: Output Files

Note: list output files, such as deposited ions or trajectories, can become very large. To suppress the creation of these output files, build with --features no_list_output. To additionally enable distribution output (see below), build with --features no_list_output,distributions

[name]summary.output

This is a comma-delimited file that contains a row for each species in the simulation and the atomic mass, number of reflected ions of that species, number of deposited/implanted ions of that species, and number of sputtered atoms of that species.

Example summary output file:

mass, reflected, sputtered, deposited
4.002602, 24526, 0, 75474
16.0, 0, 17820, 0
47.867, 0, 6059, 0
26.98, 0, 0, 0
28.08553, 0, 0, 0

[name]distributions.output

This toml-formatted output file is only created when RustBCA is built with the distributions feature. It contains energy-angle distributions of reflected ions and sputtered ions, as well as x-, y-, and z-distributions of implanted ions.

[name]sputtered.output

This is a comma-delimited file that contains a row for each sputtered particle with the following information, using the length-, mass-, and energy-units specified in the particle parameters section of the input file:

M, Z, E, x, y, z, x-direction, y-direction, z-direction, number of collision events experienced, x-origin, y-origin, z-origin

Note that the collision event number only tracks so-called strong collisions; if weak_collisions_order > 0, very low energy simulations may record 0 strong collisions.

[name]deposited.output

This is a comma-delimited file that contains a row for each incident ion that stops in the material with the following information:

M, Z, x, y, z, number of collision events experienced

Note that the collision event number only tracks so-called strong collisions; if weak_collisions_order > 0, very low energy simulations may record 0 strong collisions.

[name]reflected.output

This is a comma-delimited file that contains a row for each incident ion that reflects from the material and leaves the simulation domain, with the following information:

M, Z, E, x, y, z, x-direction, y-direction, z-direction, number of collision events experienced

Note that the collision event number only tracks so-called strong collisions; if weak_collisions_order > 0, very low energy simulations may record 0 strong collisions.

[name]energy_loss.output

This is a comma-delimited file that contains a row for each binary collision step (one collision and one particle motion step) with the nuclear energy loss and electronic energy loss of each incident particle at each step and the position of the particle at each step. This can be used for post-processing physics calculations, such as Bremsstrahlung photon production.

M, Z, E_nuclear, E_electronic, x, y, z

[name]displacements.output

This is a comma-delimited file that contains a row for each created recoil and their origin and the energy with which they were created, i.e., the recoil energy, along with the origin of the recoil and its final position. This list defaults to include every collision, and thus can get very large. On the development branch, if the user specifies a displacement energy (Ed) for target species, only recoils created with an energy greater than the displacement energy are included. Unlike other BCA codes that only track PKAs and SKAs, RustBCA tracks all atoms set into motion by the collision cascade - this should preclude the need for Kinchin-Pease and allow displacement production numbers to be used directly. This can be used for post-processing physics calculations, such as vacancy-interstitial pair production rates or ion-driven material mixing.

M, Z, E_recoil, x_origin, y_origin, z_origin, x_final, y_final, z_final

[name]trajectories.output

This is a comma-delimited file that contains a row for each binary collision step of all particles, in simulation order.

M, Z, E, x, y, z

[name]trajectory_data.output

This is a comma delimited file that contains a row for each particle in the simulation and an integer, which is the number of rows of [name]trajectories.output belong to that particle. This can be used to organize the particle trajectories to plot them as line segments instead of scatter plots.