Scale-Bridging Thermodynamic and Kinetic Simulation (STKS)
Programs for the calculation of the spinodal decomposition growth rate and the spinodal gap in nanoparticles
E. Pogorelov, J. Kundin.
Comp. Mater Sci. Data in Brief, 15, 840-850, (2017)
This data article contains the programs for the calculation of the spinodal decomposition growth rate and for the modeling of the spinodal gap and concentration profiles in nanoparticles which were used in our article (Pogorelov et al., 2017) . The modeling is based on the mathematical model of spinodal phase decomposition with intercalation rate conditions on the boundaries (Singh et al., 2008) . The maximal growth rate and the parameters of the concentration wave function can be evaluated for a fixed mean composition and intercalation rate. Furthermore, the maximal growth rate as a function of concentration and particle site can be evaluated for various intercalation rates.