Visualization of large-scale atomic interactions during the melting and crystallization process

The visualization and simulation of atomic-scale material model capable of melting, crystallization and amorphization has been developed. The large-scale molecular-dynamics calculations are done to examine crystal growth and defect formation process from the melted silicon based on the ordinary Langevin equations of motion. The developed computer system enables interactive visualization of solid/liquid interface structures responding to the control parameters such as the temperature gradient and pulling speed. The particle objects representing up to 10/sup 4/ atoms, in an interactive 3D environment, model material behaviour. A particle in the proposed dynamic system interacts through attractive covalent forces and short-range repulsion forces. This research was conducted to understand the processes that can control the quality of single-crystal silicon grown from the melt by Czochralski crystal puller.