Seeded crystallization and solidification in nanoscale confinement volumes have become an important and complex topic. Due to the complexity and limitations in observing nanoscale crystallization, computer simulation can provide valuable details for supporting and interpreting experimental observations. In this article, seeded crystallization from nano-confined liquid, as represented by the crystallization of a suspended gold nano-droplet seeded by a pre-existing gold nanocrystal seed, was investigated using molecular dynamics simulations in canonical (NVT) ensemble. We found that the crystallization temperature depends on nano-confinement volume, crystal orientation, and seed size as explained by classical two-sphere model and Gibbs-Thomson effect.
H. Pan and C. Grigoropoulos, "Crystallization in Nano-Confinement Seeded by a Nanocrystal -- A Molecular Dynamics Study," Journal of Applied Physics, vol. 115, no. 10, American Institute of Physics (AIP), Jan 2014.
The definitive version is available at https://doi.org/10.1063/1.4868465
Mechanical and Aerospace Engineering
Center for High Performance Computing Research
Article - Journal
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