Direct numerical simulation of homogeneous nucleation and growth in a phase-field model using cell dynamics method

Details Direct numerical simulation of homogeneous nucleation and growth in a phase-field model using cell dynamics method Direct numerical simulation of homogeneous nucleation and growth in a phase-field model using cell dynamics method

2008-02-06

arxiv.org/abs/0802.0732v1

Physics

Condensed Matter

Materials Science

9 pages, 8 figures, Journal of Chemical Physics to be published

Scientific paper

10.1063/1.2883652

Homogeneous nucleation and growth in a simplest two-dimensional phase field model is numerically studied using the cell dynamics method. Whole process from nucleation to growth is simulated and is shown to follow closely the Kolmogorov-Johnson-Mehl-Avrami (KJMA) scenario of phase transformation. Specifically the time evolution of the volume fraction of new stable phase is found to follow closely the KJMA formula. By fitting the KJMA formula directly to the simulation data, not only the Avrami exponent but the magnitude of nucleation rate and, in particular, of incubation time are quantitatively studied. The modified Avrami plot is also used to verify the derived KJMA parameters. It is found that the Avrami exponent is close to the ideal theoretical value m=3. The temperature dependence of nucleation rate follows the activation-type behavior expected from the classical nucleation theory. On the other hand, the temperature dependence of incubation time does not follow the exponential activation-type behavior. Rather the incubation time is inversely proportional to the temperature predicted from the theory of Shneidman and Weinberg [J. Non-Cryst. Solids {\bf 160}, 89 (1993)]. A need to restrict thermal noise in simulation to deduce correct Avrami exponent is also discussed.

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