benchmark

FABER networking project is funded for next four years by the COST Association. Its goal is to solve the current deadlock in validating the metal fatigue life evaluation methods and solvers by establishing benchmark sets of curated experimental fatigue data, with the focus set on the high-cycle fatigue category above all.

A dream came true, and the fifth submission of this networking project to COST Association was approved for funding.

It will start from November 2024 for the total duration of 4 years. The broad cooperation will focus on developing tools and data sets, which can streamline research and validation of fatigue estimation criteria.

In the attached paper, recently appeared on Computer Physics Communications, we have proposed an analytical benchmark and a simple consistent Mathematica program for graphene and carbon nanotubes, that may serve to test any molecular dynamics code implemented with REBO potentials. By exploiting the benchmark, we checked results produced by LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) when adopting the second generation Brenner potential, we made evident that this code in its current implementation produces results which are offset from those of the benchmark by a significant amount, and provided evidence of the reason.