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

Abstract

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.

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

References in corpus (6)

• On the growth and form of spherulites
• Test of the Kolmogorov-Johnson-Mehl-Avrami picture of metastable decay in a model with microscopic dynamics
• Phase-field approach to heterogeneous nucleation
• Model for crystallization kinetics: Deviations from Kolmogorov-Johnson-Mehl-Avrami kinetics
• Cell Dynamics Simulation of Kolmogorov-Johnson-Mehl-Avrami Kinetics of Phase Transformation
• Cell dynamics approach to the formation of metastable phases during phase transformation

Cited by in corpus (8)

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• Transformation kinetics of alloys under non-isothermal conditions
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• Scaling properties of critical bubble of homogeneous nucleation in stretched fluid of square-gradient density-functional model with triple-parabolic free energy
• Critical cavity in the stretched fluid studied using square-gradient density-functional model with triple-parabolic free energy
• Cell dynamics simulations of coupled charge and magnetic phase transformation in correlated oxides
• Stability of critical bubble in stretched fluid of square-gradient density-functional model with triple-parabolic free energy
• Kinetics of thermal Mott transitions in the Hubbard model