I guess from the lack of response to your question, no one else knows of a software model for this either. It should be amenable to modeling, but I know that no steel company is investing in this type of research. Times are tough and vision is short.
I can't even tell you which academic institution in the USA has the researchers to do this. If you want to search for someone, try to ask Professor Bernard Baroux of Ugine, S.A. and St.Martin d'Heres in France.