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The crystallization from the melt of softly repulsive spheres interacting through an inverse power law (IPL) potential is demonstrated by using hybrid Monte Carlo molecular simulations. The results demonstrate that polymorph selection took place during the growth step since growth proceeded into the stable bcc phase.

The embedded-atoms model (EAM) model is used for the first molecular simulation of the entire crystallization process of Al. The differences between the pathway to crystallization of Al and that of simple fluids have indicated that the strategies used to control polymorphism and the crystal morphology during the crystallization of colloids or molecules might not be appropriate for metals.

The study employs several molecular dynamics simulations to understand and observe the phenomenon of cross nucleation, a process wherein an early nucleating crystalline structure or polymorph nucleates into another polymorph. The results indicate that a stable polymorph on a metastable polymorph is similar to cross nucleation of a metastable polymorph on a stable polymorph, which can be further used to gain an insight in the nucleation of various different structures.

Molecular dynamics simulations are used to study the onset of crystallization in supercooled liquids of spherical particles and also the molecular mechanisms underlying polymorph selection. The polymorph formed during crystallization can be controlled by modifying the thermodynamic conditions of crystallization.

Molecular dynamics simulations are used to study the early stages of crystallization in a supercooled liquid of spherical particles. The onset of concomitant polymorphism is observed and it is demonstrated that this phenomenon results from the cross-nucleation of metastable polymorph on the stable polymorph.