Predicting the melt lines of compressed materials using computations

Computing the melt line of materials under compression is important, since experimental values are difficult to obtain. A number of different methods have been developed with this aim, including the coexistence and Z-methods, but suffer from serious drawbacks including high computational cost and low accuracy. Here, we present our current efforts to design an improved melt line prediction using the diffusion kinetics determined from simulations and experimental literature, with the overall goal of producing improved accuracy at a fraction of the computational cost. We compare our results with the well known Z-method and experimental melt lines.