|From:||"Thompson, Aidan" <athomps@...3...>|
|Date:||Tue, 24 Oct 2017 18:56:01 +0000|
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.
Aidan P. Thompson
01444 Multiscale Science
Sandia National Laboratories
PO Box 5800, MS 1322 Phone: 505-844-9702
Albuquerque, NM 87185 Fax : 505-845-7442
E-mail:athomps@...3... Cell : 505-218-1011
I'm looking into Fission Gas formation in Molten Salts.
Given a rate of fission products being produced,
Can I use LAMMPS to determine either
a) the rate of fission gas bubble formation in molten salts
b) the rate of fission gas outgassing from the molten salts.