We propose a numerical approach to the calculation of microstructural evolution in forms of the atomic density evolution. The modulation of the atomic density wave is driven by the minimization of the free-energy functional, which includes an effective pair potential term with softened core. As applications, we report simulation results of solidification, grain growth, and annealing for a one-component system in two dimensions.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - Oct 28 2008|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics