Nucleation of crystals that are mixed composites of all three polymorphs in the Gaussian core model.

Abstract

We present results of computer simulations of homogeneous crystal nucleation in the Gaussian core model. In our simulations, we study the competition between the body-centered-cubic (bcc), face-centered-cubic (fcc), and hexagonal-close-packed crystal phases. We find that the crystal nuclei that form from the metastable fluid phase are typically "mixed… (More)
DOI: 10.1063/1.4922321

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@article{Mithen2015NucleationOC, title={Nucleation of crystals that are mixed composites of all three polymorphs in the Gaussian core model.}, author={Johanna Mithen and A J Callison and Richard P. Sear}, journal={The Journal of chemical physics}, year={2015}, volume={142 22}, pages={224505} }