Methods to increase computational efficiency of CALPHAD-based thermodynamic and kinetic models employed in describing high temperature material degradation

A linear scaling of computation speeds was observed with parallelisation of the thermodynamic calculations with MPI. However, the degree of scaling was dependent on the complexity of the calculation. The interpolation scheme on a single core in comparison with MPI on 48 cores was 20 times faster in one case but about 20-50 times slower in the other two cases. A parallelisation of the interpolation scheme improved its performance in the other two cases. However, the computational scaling was still poor compared to the MPI computations.