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Benchmarks

Jon Drobny edited this page Oct 21, 2022 · 47 revisions

This page will serve to collect the results of benchmarks of RustBCA. These include comparisons to other codes, comparisons to (semi-)empirical formulas, and comparisons to experimental data where available. Benchmarks can be requested using the [benchmark] flag when creating a new issue.

Hydrogen on Nickel compared to EAM and Experiment

See examples/benchmark_eam.py. EAM and Experimental data from https://doi.org/10.1016/0022-3115(84)90433-1.

benchmark_h_ni

This shows that previous assumptions about the energy regime of validity of BCA codes may not be accurate. In particular, results from TRIM were inaccurate below 10s of eV; this seems to have been implicitly extended to all BCA codes in the literature. However, RustBCA has good results for reflection at energies much lower than 10s of eV.

Using the default settings, RustBCA performs well when compared to both experimental data at higher energies and an EAM model at much lower energies. Modification of the default settings, such as using a realistic interaction potential, or changing the weak collision order, is likely to improve the results further.