[EXTERNAL] LAMMPS to Determine Fission Gas Outgassing Rate

Please direct future questions to the LAMMPS mailing list. There is a substantial scientific literature going back decades on the use of MD to study fission gas diffusion and aggregation (bubble formation) in metals. Some of this will translate directly to molten salts. The challenge always is handling the timescales, which are generally far beyond the 100’s ns accessible with MD. See for example the work of Brian Wirth on H/He/W systems.