GRAIN BOUNDARY SOLUBILITY IN IMMISCIBLE ALLOYS

Immiscible alloys are postulated to exhibit increased solubility in non-crystalline regions and specifically in high energy grain boundary regions.
An analytic model describing grain boundary solubility is offered based on a mean field description.
The results of the model are compared to molecular dynamics simulations of mixing in immiscible systems with lattice size and type mismatch.
It is shown that solubility limit can be described using an effective nearest neighbor model of the type used to describe solubility in low mismatch high solubility systems.
Variation of the solubility limit and model parameters with properties such as grain boundary energy, temperature and pressure is presented and explained in terms of the simple model.
This presents an opportunity for creating a simple transferable model which will allow reliable calibration for realistic systems.