Re: do we really need to simulate this?
https://www.nrc.gov/reading-rm/doc-collections/fact-sheets/plutonium.html
I'm not a nuclear physicist and don't know which type of plutonium they pulled out of Windscale back in the 1950's, but it's certainly one or the other.
As nobody set off any old nukes, the AWE need to understand if they will still reach the critical mass to cause a chain reaction... or if they'll open a vortex into another dimension where beasties and people much scarier than the fat Nork bloke (with the bad hair) live.