Size-Induced Freezing Effect in Monte-Carlo Simulations of Phase Separation Kinetics in Nanoparticles
The separation kinetics in a binary nanoparticle is studied by means of two-dimensional Monte-Carlo sampling and Ising-type model, where the species exchange positions due to vacancy mechanism. The model is developed in case of a free nanoparticle with a coating shell. The kinetics is shown to depend on the size of a nanosystem. We demonstrate a distinct size-induced freezing effect on kinetics of separation.
D.Beke, A.Gusak, G.Murch, J.Philibert
A.S. Shirinyan and D.V. Lubyanskyy, "Size-Induced Freezing Effect in Monte-Carlo Simulations of Phase Separation Kinetics in Nanoparticles ", Defect and Diffusion Forum, Vol. 277, pp. 167-175, 2008