Abstract Scope |
Recent experimental work has shown that beginning with a duplex phase structure (A, B), solid-state reaction can result in synthesis of the product phase (C) as a single crystal. A stochastic numerical simulation procedure has been developed to solve a reaction-diffusion master equation specific to this duplex geometry. In particular, we have employed the so-called τ -leaping technique, an approximation to the inhomogeneous stochastic simulation algorithm, for solving this master equation. The kinetics and microstructural evolution of the reactant phase were modelled in terms of the initial microstructure, the relative rates of diffusion and reaction, and whether nucleation of the product phase is homogeneous or heterogeneous. Implications for the construction of templates that may be employed to facilitate microstructural design will be discussed. |