Is there such a thing as “alloy modelling” theory or software?
Given the vast number of combinations of elements possible to alloy together, it struck me that since my time at university (early 90’s) that there might be more sophisticated techniques available to investigate the properties of, for example, a 60% Cu / 38% Ag / 2% Li alloy (to pluck one example out of billions).
If such models are available, then what can they predict? Melting point? Conductivity? Tensile strength? Could they predict a phase diagram? And how accurate are they?
If the short answer to the original question is “No”, then is this because of:-
a) It’s been tried before and the results weren’t impressive.
b) It’s been put in the ‘too hard basket’, as it’s a complex problem.
c) No-one’s thought to try.
d) It’s economically more productive to continue practical experimentation.
And what might be the predictive capabilities be if such models were to be developed? Would they be capable of predicting properties of alloys with a greater number of components – say, 4? 5? 10?
(A GQ search on ‘alloy’ came up with only two threads which touched upon what I’m asking):
Thanks in advance for any information or pointers.